smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1COP(=O)(O[C@H](CBr)COCc2ccccc2)OC1 72141746 VCWCAXMNTIBANM-CYBMUJFWSA-N 379.143 2.707 50 1 GFGF COc1ccc2c3c(n(C)c2c1)[C@@H]1C[C@H]2C(C=O)=C(C)OC[C@H]2[C@H](C3=O)N1C 85569988 AFHGOQPKVXJDHG-RTBCOKGWSA-N 380.444 2.864 50 1 GFGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCl)(c2cocn2)N1 962711150 SKYPFXPFKJCFMX-BXUZGUMPSA-N 378.709 2.914 50 1 GFGF COc1ccc(Cl)c2c1CCN[C@@]2(CBr)c1ccnc(N)n1 963256831 FZESVXVUHTXEMR-HNNXBMFYSA-N 383.677 2.505 50 1 GFGF O=C1[C@@H](Cl)[C@H](c2ccc([N+](=O)[O-])cc2)N1/N=C/CCn1nnc2ccccc21 66262766 GMLNNLIJAMGSHE-YWEPWWAOSA-N 398.810 2.906 50 1 GFGF COc1cc2c3c(c1)O[C@](CNC(=O)CCl)(c1cccs1)[C@@H](C2)C3=O 587450261 IHHIKSSCHBWKTP-SGTLLEGYSA-N 377.849 2.755 50 1 GFGF C=C(CCl)[C@@H]1CCC2=C[C@@H](C[C@](C)(O)[C@@H](O)c3cc(C=O)c(o3)C1)OC2=O 2356805136 VEJQZTYJCRVZSZ-NRQLVOTRSA-N 394.851 2.866 50 1 GFGF O=C(O)c1cccc(-c2ccc(/C=N\NC(=O)[C@@H]3COc4ccccc4O3)o2)c1 15919610 UQXXCSADSBHOBJ-SNINMWPCSA-N 392.367 2.935 50 1 GFGF COc1cc(/C=N/NC(=O)CCCc2nc(O)c3ccccc3n2)ccc1O 299858457 RXQSGFLBGHBQCC-CIAFOILYSA-N 380.404 2.523 50 1 GFGF COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(CC(C)(C)C)c32)cc([N+](=O)[O-])c1O 1857765607 SZKDXWMBTWXHLI-AWEZNQCLSA-N 399.407 2.839 50 1 GFGF C/C(CC(=O)Nc1cccnc1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 100547682 SXCWRKLTZQLGAC-KEBDBYFISA-N 375.772 2.778 50 3 GFGF Cc1cccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 35967483 LNKZJKAEWJRGOF-UHFFFAOYSA-N 381.344 2.944 50 1 GFGF CC1(C)C[C@H](/N=C(/O)NP(=O)(N2CC2(C)C)N2CC2(C)C)C(C)(C)N1[O] 96900529 AAQWQQHATJQPFW-YPQXYFKBSA-N 386.457 2.764 50 1 GFGF CC(C)(C)OC(=O)NC1(/C=N/NC(=O)CCCCCCC(=O)NO)CCCC1 95808247 ALIMLRKZXYAMQS-XSFVSMFZSA-N 398.504 2.772 50 1 GFGF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2c1 586905904 GGEHBVQOFQTRHD-UHFFFAOYSA-N 399.428 2.619 50 1 GFGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(=O)O)N1 587672797 HZCCJNTUXDQXPW-QTTZVWFDSA-N 381.039 2.797 50 1 GFGF COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc3c(c2)OCCO3)ccc1Cl 84671882 OYXPEJNRVOBGQG-PGNNWUFWSA-N 390.823 2.958 50 1 GFGF CCOCCOC(=O)/C(C#N)=C(/CC)NCc1nc(-c2ccc(F)cc2)no1 103200612 TVUMODINAPCUGO-NXVVXOECSA-N 388.399 2.733 50 1 GFGF CC(C)CN(NC(=O)c1ccc(C2CC2)c(O[C@@H](C)C(F)(F)F)n1)C(N)=O 207743054 RVOBEALCAMBFKU-JTQLQIEISA-N 388.390 2.970 50 1 GFGF OC[C@H]1[C@@H]2C[C@H](n3cnc4c(NCc5cccnc5)ncnc43)[C@H]1C[C@@H]2Cl 473124177 WPDCKZYKZUEIHY-QXKUPLGCSA-N 384.871 2.630 50 1 GFGF N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1 1857544070 YPNUOSMEYDUYCX-UHFFFAOYSA-N 377.425 2.849 50 1 GFGF C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)CCl)[C@H]12 473249035 RYKKXQWEYIZDNQ-VBJMPTANSA-N 384.856 2.934 50 1 GFGF CC(C)[C@H](C(=O)NCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618008926 NULQLCPSRDMVBM-CQSZACIVSA-N 393.619 2.937 50 1 GFGF CC1=NN(c2nc(N)nc(/C(C#N)=C\c3cccc([N+](=O)[O-])c3)n2)C(C)(C)C1 6004911 YOXQKKXNIRDKNX-QPEQYQDCSA-N 378.396 2.791 50 1 GFGF OB(O)c1cc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc(C(F)(F)F)c1 963117930 ZQEJEXNIUIPIHB-WMZOPIPTSA-N 379.162 2.634 50 1 GFGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](CBr)(c2ccncc2)N1 963237784 UNZKQWAZWDSEPB-PKOBYXMFSA-N 398.260 2.867 50 1 GFGF O=C(NNc1nc(Nc2ccccc2)nc(Nc2ccccn2)n1)c1ccncc1 103218771 WQTSIQXRWTVAOL-UHFFFAOYSA-N 399.418 2.906 50 1 GFGF O=C(NO)c1cccc(C(=O)N/N=C/C(Br)=C/c2ccccc2)c1 95808833 CXVAAJBALYMHTH-DULRMMMRSA-N 388.221 2.957 50 1 GFGF CC(=O)C[C@H]1O[C@@H]2[C@H]3[C@@H]1[C@@H](OC(C)=O)[C@@H](C)C[C@@H]3[C@H](C)CO[C@]2(C)/C=C/C=O 238770758 IZBLVPXRSYOQND-WVERYMCBSA-N 392.492 2.733 50 1 GFGF CC(=O)OC1=C(C[C@@H](Br)C(C)(C)O)C(=O)c2ccccc2C1=O 3637517 CYGNKKPVRRKGOD-CYBMUJFWSA-N 381.222 2.807 50 1 GFGF C=C(C=O)[C@]12C=C3C(=O)C[C@H](C(C)C)[C@]3(C)C[C@H](OC(C)=O)[C@]1(C)CC(=O)O2 14769946 VKBUNHQDYSZEBH-WESSADLBSA-N 388.460 2.947 50 1 GFGF biogenic COC1=C/C(=C/NNC(=O)[C@@H]2[C@H]3CCCC[C@]32C)C=C(Br)C1=O 138766302 LZQLJHQICKHTHO-RREVJSNPSA-N 381.270 2.709 50 3 GFGF NNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccc(Cl)cc1 3654254 WSYFLSHXCFHZIG-UHFFFAOYSA-N 384.244 2.911 50 1 GFGF COc1cc2c(cc1OC)[C@H](c1cc(OC)c3c(c1)OCO3)C(C#N)=C(N)O2 40747348 VXBHAZYLKCBWMI-SFHVURJKSA-N 382.372 2.659 50 1 GFGF O=C1C=C/C(=C\NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)C(O)=C1 15885173 VCQMMHXXOYJDDL-DTQAZKPQSA-N 381.432 2.905 50 3 GFGF O=C(CBr)NCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 586970813 HGXSEDHPNXRCOU-UHFFFAOYSA-N 384.237 2.713 50 1 GFGF CCOc1ccc2c(c1)[C@]1(N[C@H](C(=O)O)Cc3cccc(F)c31)C(C=O)=CO2 962901639 RJAUQRFYSQYFOZ-LAUBAEHRSA-N 383.375 2.542 50 1 GFGF CCCCCc1[nH]nc2c1[C@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1857653816 AHGKPDBJRJFMPL-OAHLLOKOSA-N 399.407 2.983 50 1 GFGF COc1ccc(/C=N/NC(=O)Cc2cc(=O)oc3ccc(C)cc23)cc1OC 40860068 WIJICGHDORZOQY-WSDLNYQXSA-N 380.400 2.811 50 1 GFGF COC(=O)[C@H]1[C@H](OC(=O)Nc2ccc(N=C=S)cc2)C[C@H]2CC[C@H]1N2C 253898195 QZFRFIDBOHIVBW-KLHDSHLOSA-N 375.450 2.994 50 1 GFGF CO[C@@]12CCN(C)C[C@H]1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 299837421 OLAWDROIRKTLBJ-ZMSDIMECSA-N 378.270 2.551 50 1 GFGF CCN1N=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](Cl)C1=O 587547920 MHVOZTCTQDEZJD-LSBZLQRGSA-N 386.791 2.548 50 1 GFGF COC(=O)[C@]1([C@@H](C)Br)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962568148 LBJQBENQKHJQGP-AGKHESDQSA-N 386.286 2.732 50 1 GFGF CCCN1[C@@H](c2cc(C=O)c(OC(C)C)c(B(O)O)c2)c2ccccc2C[C@H]1C 963226851 ICNBTTQLWIVRHD-ZHRRBRCNSA-N 395.308 2.712 50 1 GFGF C[C@]1(c2ccc(F)cc2)NC(c2nccs2)=NC(CN2CCOCC2)=C1C#N 1857545291 JMYKJXFETVUNDD-HXUWFJFHSA-N 397.479 2.657 50 1 GFGF CCCc1nc(-c2nc3cc(C(=O)NN)ccc3[nH]2)nn1-c1ccccc1F 587155930 IYWDJODDFGBUKJ-UHFFFAOYSA-N 379.399 2.506 50 1 GFGF CCOc1cc(/C(=C/C#N)c2ccc(OC)c(OC(=O)CN)c2)ccc1OC 84541520 NQDQONQTHUPPNR-SXGWCWSVSA-N 382.416 2.922 50 1 GFGF CSc1ccc([C@@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CCC3)cc1 5433258 JXMCMYOBUWFWDY-MRXNPFEDSA-N 378.461 2.831 50 1 GFGF O=C1[C@H](Cl)[C@H](c2ccc([N+](=O)[O-])cc2)N1/N=C/CCn1nnc2ccccc21 66262771 GMLNNLIJAMGSHE-PKKHPNISSA-N 398.810 2.906 50 1 GFGF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=C/C#N 38148491 CYCBGJORWHTPCP-BVBLWJPBSA-N 399.406 2.616 50 1 GFGF COc1nc(C(Br)Br)c([N+](=O)[O-])c(N2CCCC2)n1 27865137 QFEIFESWFMPVBE-UHFFFAOYSA-N 396.039 2.782 50 1 GFGF COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CCC(C)C)c32)cc([N+](=O)[O-])c1O 1857773232 SPXMFFJUYBZQEI-OAHLLOKOSA-N 399.407 2.839 50 1 GFGF CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1(C)C 84653596 OQLNMCPMSONNBE-FQEVSTJZSA-N 375.469 2.660 50 1 GFGF O=C1O[C@@H]2C[C@](O)(CCl)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@H]3CCCC1=C23 13386026 XSCIYDYMKUSXCT-IFDPXEGKSA-N 378.808 2.650 50 1 GFGF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@@H](C#N)C(=O)NCc1ccccc1)O2 587372423 LFJXVSUSFJBAIO-HRAATJIYSA-N 397.862 2.976 50 1 GFGF COC(=O)C1=CN(c2ccc3c(c2)OCO3)C(N)=C(C#N)[C@@H]1c1ccccc1 95566653 WXKVNAQKUJFPQK-IBGZPJMESA-N 375.384 2.770 50 3 GFGF COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1OC 13586127 AKZDJWRWIRASDK-FQEVSTJZSA-N 381.432 2.997 50 1 GFGF C[C@@H]1CC[C@@H]2[C@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](OCC(F)(F)F)[C@]2(C)O 101268284 LDFCALDHKZTKRF-AYJPBJMFSA-N 382.375 2.888 50 1 GFGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(=O)O)N1 587672796 HZCCJNTUXDQXPW-PWCHPLFNSA-N 381.039 2.797 50 1 GFGF O=C(O)CCC/C=C/C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1CNNC(=O)Cc1ccccc1 299808002 IHDLJEAGHHZBRF-HDDSPCROSA-N 386.492 2.845 50 1 GFGF NNC(=O)c1nc(-n2nc3cc2Oc2ccc(F)cc2-3)c(Cl)c(N)c1Cl 587874342 WCRPBGNLDRKJEQ-UHFFFAOYSA-N 395.181 2.672 50 1 GFGF O=C1C(=O)[C@H](Cl)[C@@]2(C(=O)[C@@H]1Cl)c1ccsc1CCN2Cc1ccco1 962714022 YABDUOZOIHEWQL-ISTRZQFTSA-N 398.267 2.530 50 1 GFGF COc1ccc(Br)c(C(=O)N/N=C\c2ccc(O)c(OC)c2)c1 103185127 RIBODUXHFLUYSL-NVMNQCDNSA-N 379.210 2.936 50 1 GFGF CN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](Cl)C1=O 587333039 UVQGYTAKNVMAOM-SZVBFZGTSA-N 388.782 2.694 50 1 GFGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@H]1c1ccccc1O 103206136 LZKUUIVMBCNVGK-UKRRQHHQSA-N 376.199 2.893 50 1 GFGF CC(=O)OC=CC(=COC(C)=O)[C@@H](CC=C(C)C#CC=C(C)C=O)OC(C)=O 2356434176 HWMRDXWSLUIIGO-OAQYLSRUSA-N 388.416 2.927 50 1 GFGF CC[C@@]1(CNC(=O)CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547148 ZHPDBDFCALMDFC-LPHOPBHVSA-N 375.808 2.858 50 1 GFGF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H]([C@@](C)(O)CCl)O2 5759700 QDSRUIDWGNCDAY-KUHUBIRLSA-N 376.792 2.954 50 1 GFGF biogenic C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc(NC=O)c3C(=O)[C@@]2(O)[C@@H]1NC 2356864854 WAPKKACBPXEWEA-DBLITZCYSA-N 390.911 2.868 50 1 GFGF CC(C)S(=O)(=O)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 43620377 BKLSKVHOPUCDCH-UHFFFAOYSA-N 387.498 2.579 50 1 GFGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4[nH]cnc4cc32)cc(OC)c1OC 1857654197 LQOYBJHBWVZMDY-SFHVURJKSA-N 378.388 2.807 50 1 GFGF N#Cc1ccc(Cn2cc(C(=O)NN)c(=O)c3cccc(C(F)(F)F)c32)cc1 96934453 PPZWVYXTTHOWID-UHFFFAOYSA-N 386.333 2.544 50 1 GFGF COc1ccc(B(O)O)c([C@H]2c3ccccc3CCN2[C@H](C#N)c2ccccc2)c1 963194728 UBKVVSHVYLPZPO-DNQXCXABSA-N 398.271 2.587 50 1 GFGF CC1(C)C[C@H](NC(=O)N[P@@](=O)([N@]2CC2(C)C)[N@@]2CC2(C)C)C(C)(C)N1O 1857536523 WCJHDPCEOUGPCD-QRLLGGNISA-N 387.465 2.603 50 1 GFGF N#CC1=C(N)n2cccc2N[C@@]1(c1ccc(N2CCOCC2)cc1)C(F)(F)F 621477853 QQIKAHJNGRQGRN-GOSISDBHSA-N 389.381 2.859 50 1 GFGF CC1(C)C2=C(O[C@H]1CI)c1c(O)cccc1C(=O)C2=O 169312056 AXRFTCBSAQXVKT-VIFPVBQESA-N 384.169 2.729 50 1 GFGF CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@H]2[C@@H](C=O)C1=C(C=O)C(=O)O 2356481862 BZCUJLGQIQXOMA-BRZCCTTDSA-N 396.443 2.511 50 1 GFGF COc1ccc([C@]2(CCl)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(OC)c1 963472022 OMWPJSXPSQNYTA-JXFKEZNVSA-N 391.851 2.799 50 1 GFGF NNC(=O)c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 586908412 AXUCNTHXHDOUAR-FQEVSTJZSA-N 384.480 2.816 50 1 GFGF CC1(C)[C@H](Cl)C[C@@]23[C@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1ccccc14 2356783698 LZMXJWKYISEJLS-BZLSQUIXSA-N 382.851 2.944 50 1 GFGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C(N)=O)n(C)c1)CC2=O 587462515 ZZXXLEFNSBFRTR-IBGZPJMESA-N 376.840 2.882 50 1 GFGF COc1ccc(/C=N/NC(=O)c2c[nH]c3cc(Cl)ccc3c2=O)cc1OC 1857747233 DTZGHZQAGYPYTI-LSFURLLWSA-N 385.807 2.963 50 1 GFGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587009392 CTCRPTVGDKAILU-AWEZNQCLSA-N 398.810 2.986 50 1 GFGF C[C@H](NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)C(=O)NN 43066645 LFNZWVMBUJKAHS-HDDXYUSQSA-N 392.503 2.811 50 1 GFGF O=C1C=CC(=O)N1CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 138288959 UTBHWDUGQSFHFO-UHFFFAOYSA-N 386.411 2.906 50 1 GFGF CC(=O)OC[C@]1(C)[C@H]2C[C@H](O)[C@]34C=C(C=O)[C@H](CC[C@H]3[C@]2(C)CC[C@H]1O)C4 238736234 IIOXAOGAOJDHDX-GMPGATECSA-N 376.493 2.639 50 1 GFGF CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCSSCCN(C)C 618009383 WTUVIHTVCSCTPD-CQSZACIVSA-N 393.619 2.985 50 1 GFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C(=O)CBr)O2 587373577 MEGDJYYKYQAFGL-ZDUSSCGKSA-N 391.059 2.640 50 1 GFGF CCOCCOC(=O)/C(C#N)=C(\NCc1cc(Br)no1)C(C)C 103220924 FCDVWZGKIUQOOO-OWBHPGMISA-N 386.246 2.540 50 1 GFGF CO[P@@](=O)(c1cc(C)cc(C#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59426039 FSRWOJGPYXMULJ-SANMLTNESA-N 387.763 2.976 50 1 GFGF COc1ccc2c([C@H]3CC(=O)C4=C(C3)OC(N)=C(C#N)[C@H]4C)cc(=O)oc2c1 95564109 PEFRIZYUAGLOKN-MNOVXSKESA-N 378.384 2.862 50 1 GFGF CNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1cccc(NC(=O)CCl)c1 1857767026 ANEFXENSOIPHGS-KRWDZBQOSA-N 389.839 2.577 50 1 GFGF CCn1cc(C(=O)N/N=C/c2ccc(OC)cc2OC)c(=O)c2ccc(C)nc21 103203749 KMBMRPABFPIUNT-SSDVNMTOSA-N 394.431 2.506 50 1 GFGF CC[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2[C@@H](C=O)/C1=C(\C=O)C(=O)O 238778524 BZCUJLGQIQXOMA-MEKQUCMPSA-N 396.443 2.511 50 1 GFGF O=C(CCCCCCCCCBr)CC(=O)N[C@H]1CCOC1=O 25985161 MFIDBONUUKUYNV-AWEZNQCLSA-N 376.291 2.893 50 1 GFGF OB(O)c1cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc(C(F)(F)F)c1 963117926 ZQEJEXNIUIPIHB-FUHWJXTLSA-N 379.162 2.634 50 1 GFGF CC(=O)Nc1nc(C)c(-c2csc(NC(=O)CBr)n2)s1 1857618382 VXNBNOYDTNSYQP-UHFFFAOYSA-N 375.273 2.867 50 1 GFGF CCOC(=O)C1=C(C)NC(=O)N(P2(=O)NCCCCN2)[C@H]1c1ccccc1 84729187 KMEMUFSAVUOUMA-INIZCTEOSA-N 392.396 2.671 50 1 GFGF Cc1ccnc(Cl)c1NC(=O)CSc1nnc(NC(=O)CCl)s1 96908517 LKZJKURPIZIXQO-UHFFFAOYSA-N 392.293 2.803 50 1 GFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@@H](C#N)C(=O)NCc1ccccc1)O2 587372430 LFJXVSUSFJBAIO-KKSFZXQISA-N 397.862 2.976 50 1 GFGF CC1=CC(=O)/C(=C/NNC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)C=C1 13123329 HXGOATPDBYIDLR-FBMGVBCBSA-N 398.466 2.869 50 3 GFGF C[C@@H](C(=O)N/N=C/c1ccco1)N1C(=O)c2ccccc2N[C@H]1c1ccco1 1772616677 FZWBZYXKXOXVKU-RKLQYCRHSA-N 378.388 2.978 50 1 GFGF COC(=O)[C@@H]1[C@@H](OC(=O)Nc2cccc(N=C=S)c2)C[C@H]2CC[C@@H]1N2C 26378402 LPOMDZXSJNUSGX-UGUYLWEFSA-N 375.450 2.994 50 1 GFGF CC(=O)C[C@@H]1O[C@@H]2[C@H]3[C@@H]1[C@@H](OC(C)=O)[C@@H](C)C[C@@H]3[C@@H](C)CO[C@]2(C)C=CC=O 2356573983 IZBLVPXRSYOQND-DNQWIARNSA-N 392.492 2.733 50 1 GFGF O=C(CBr)Nc1cccc(C(=O)NC(=O)Nc2ccccc2)c1 40413365 UCCGPXQEDPNTFZ-UHFFFAOYSA-N 376.210 2.982 50 1 GFGF N#CC1=C([C-](C#N)C#N)N[C@@](O)(C2CC2)[C@@H]([n+]2ccccc2)[C@H]1c1ccccc1F 195470471 DBMPXHGIQYCLJL-ACIOBRDBSA-N 399.429 2.539 50 1 GFGF COc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 299835571 WLWGUKLSXBGTKX-UHFFFAOYSA-N 397.343 2.644 50 1 GFGF O=C1c2c3c(cc(O)c2[C@H](O)[C@H](O)[C@H]1Cl)-c1ccc(O)c2c(O)ccc-3c12 2356719532 AMQOBMMZEFKRQQ-YSIASYRMSA-N 384.771 2.802 50 1 GFGF CC(=O)OC(C=C(C=O)[C@H](CC=C(C)C#CC=C(C)C)OC(C)=O)OC(C)=O 2356716756 XHCKRICYYQUIMU-FQEVSTJZSA-N 390.432 2.802 50 1 GFGF CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC(=O)[C@@]13C=C2C=O 2356787050 TVVDACSGHQEHDA-LQPJUUSVSA-N 388.460 2.940 50 1 GFGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3C[C@H](C)C[C@H]3C=C(C=O)[C@]12O 238771571 AWWSRRPFKHBPKA-VGJQQHLPSA-N 386.444 2.874 50 1 GFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@H](C#N)C(=O)NCc1ccccc1)O2 587372426 LFJXVSUSFJBAIO-IERDGZPVSA-N 397.862 2.976 50 1 GFGF Cc1nc(C)c(-c2n[nH]c3c2C(=O)c2c(NC(=O)NN(C)C)cccc2-3)s1 13588753 NRCISHSIDBMLPM-UHFFFAOYSA-N 382.449 2.960 50 1 GFGF CC1=CC(=O)[C@H]2C(C)(C)[C@@H](Cl)CC[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O 136964545 YSWCBVKUWUJGKF-XWFOUZAQSA-N 381.900 2.595 50 1 GFGF CC1=C/C(=C\NNC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)C(=O)C=C1 13111044 LPPPXTKKOQUFHO-FBMGVBCBSA-N 398.466 2.869 50 3 GFGF COc1cc([C@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@@H]2CO)cc(OC)c1O 28974932 YJXKBHCATWSLFQ-BMSLLPBFSA-N 386.400 2.840 50 1 GFGF CO[P@](=O)(c1cc(C)cc(C#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59426040 FSRWOJGPYXMULJ-AREMUKBSSA-N 387.763 2.976 50 1 GFGF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(C=O)c(OC(C)C)c(B(O)O)c1 963226845 ICNBTTQLWIVRHD-AOMKIAJQSA-N 395.308 2.712 50 1 GFGF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H]([C@@](C)(O)CCl)O2 5759698 QDSRUIDWGNCDAY-LIRRHRJNSA-N 376.792 2.954 50 1 GFGF biogenic COc1ccc(Cl)cc1C#Cc1cnn(Cc2ccc(C(=O)NN)cc2)c1 587909541 UJKCIJYUEPMFPH-UHFFFAOYSA-N 380.835 2.597 50 1 GFGF CCn1c(O)c(C(C)=NNC(=O)c2cccc(OC)c2)c(=O)c2ccccc21 2356818386 DTGYLBCNKVXAHN-UHFFFAOYSA-N 379.416 2.890 50 1 GFGF Cc1cc(OCC2CC2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F 1857549965 QHJZPGLGYZVUIL-UHFFFAOYSA-N 378.425 2.546 50 1 GFGF COC(=O)[C@H]1[C@@H](OC(=O)Nc2cccc(N=C=S)c2)C[C@H]2CC[C@@H]1N2C 26378405 LPOMDZXSJNUSGX-FXUDXRNXSA-N 375.450 2.994 50 1 GFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(CC(N)=O)c1C)O2 587370551 ABVVULSBVZXQSQ-LJQANCHMSA-N 375.856 2.580 50 1 GFGF CCS(=O)(=O)N1[C@@H]2CC[C@@H]1CC1(C2)OOC2(OO1)C1CC3CC(C1)CC2C3 101463622 CGRIRRKXQLALEH-YOENJENRSA-N 399.509 2.722 50 1 GFGF COC(=O)[C@]1([C@H](Cl)C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688296 KUWCBHCTDKAUMX-UCJNBOFNSA-N 392.652 2.687 50 1 GFGF COc1cc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@H]2CO)cc(OC)c1O 2356446103 YJXKBHCATWSLFQ-FOIQADDNSA-N 386.400 2.840 50 1 GFGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(=O)O)N1 587672924 IYBIUWUOQURLGT-INWYIAFRSA-N 381.039 2.797 50 1 GFGF COc1ccc(/C=C(\C#N)c2nc(N)nc(N3N=C(C)CC3(C)C)n2)c(O)c1 5964579 GEYSZRZVHOTDTK-NTUHNPAUSA-N 379.424 2.597 50 1 GFGF O=C(CBr)NCCc1nc2cc(Br)cc(F)c2[nH]1 586971403 RQSLDRKHTPRUHG-UHFFFAOYSA-N 379.027 2.518 50 1 GFGF O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(OCC(F)(F)F)cc1)c1ccncc1 49112367 IXXCJZGWWYWSNC-HUUCEWRRSA-N 379.338 2.587 50 1 GFGF CCOC1=C/C(=C/NNC(=O)CSc2cccc3cccnc23)C=CC1=O 13120062 CFUIHCGQKIHUAO-WYMLVPIESA-N 381.457 2.891 50 3 GFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)CBr)(C(C)(C)C)O2 587373219 LWMWESZWZSEUNQ-KRWDZBQOSA-N 383.286 2.838 50 1 GFGF Cc1ccc2oc(=O)n(CC(=O)N/N=C/c3ccc(Br)cc3)c2c1 28868904 BIPXMJNXBGXRFP-DJKKODMXSA-N 388.221 2.816 50 1 GFGF Cc1c(Br)ccc2nc(CCNC(=O)CBr)[nH]c12 586971831 ZPBWOSGHDIDJHB-UHFFFAOYSA-N 375.064 2.687 50 1 GFGF COc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1 1857594585 SFVWLSGHYCMJAJ-UHFFFAOYSA-N 382.441 2.986 50 1 GFGF CC(C)=CCOc1ccc(C[C@]23SS[C@H](C(=O)N2C)N(C)C3=O)cc1 15122266 JSIYDGFKARPHEZ-SJLPKXTDSA-N 378.519 2.922 50 1 GFGF N#CC1=C([C-](C#N)C#N)N[C@](O)(C2CC2)[C@@H]([n+]2ccccc2)[C@@H]1c1ccccc1F 101751069 DBMPXHGIQYCLJL-PUHATCMVSA-N 399.429 2.539 50 1 GFGF CC(C)(C)OC(=O)Nc1ccc(/C=N/NC(=O)c2cccc(C(=O)NO)c2)cc1 95809710 BWLJNEHZCLMIIF-CIAFOILYSA-N 398.419 2.917 50 1 GFGF COc1ccc(C(=O)NCCCCCC(=O)N/N=C/c2ccco2)cc1OC 6997255 PBYIIWIOWYWBIE-HYARGMPZSA-N 387.436 2.737 50 3 GFGF CC1=NN(c2nc(N)nc(/C(C#N)=C\c3csc([N+](=O)[O-])c3)n2)C(C)(C)C1 6019890 DRJKFXXKGQFBBV-WCIBSUBMSA-N 384.425 2.852 50 1 GFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 103110049 FIHJKUPKCHIPAT-VPHNCCMTSA-N 384.425 2.602 50 1 GFGF Cc1c(C(=O)N/N=C/c2ccco2)nnn1Nc1ccc(Br)cc1 72118513 NNFLNMGLCXLVNO-RQZCQDPDSA-N 389.213 2.581 50 1 GFGF COc1cc([C@@H](OC)[C@@H](CO)Oc2ccc(/C=C/C=O)cc2OC)ccc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c3ccc(OC)c(OC)c3)[C@@H]2C1 299824950 FCVKAAZUQABUBO-LDQXTDLNSA-N 387.480 2.586 50 1 GFGF NNC(=O)CCSSCCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587877086 YPGCKOJLEWFVTG-UHFFFAOYSA-N 382.442 2.587 50 1 GFGF O=C1c2c3c(cc(O)c2[C@H](O)[C@@H](O)[C@@H]1Cl)-c1ccc(O)c2c(O)ccc-3c12 2356719530 AMQOBMMZEFKRQQ-HOJAQTOUSA-N 384.771 2.802 50 1 GFGF NNC(=O)c1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587168084 RYHKRFQBGDBFRU-MRXNPFEDSA-N 382.399 2.675 50 1 GFGF CC1(C)CC(NC(=O)NP(=O)([N@]2CC2(C)C)[N@]2CC2(C)C)CC(C)(C)N1 1857536533 XJDRHDRKWPRJBI-DHIUTWEWSA-N 385.493 2.891 50 1 GFGF CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(Br)nc1)C(C)C 103222736 PANOQBRBVWKVKK-PEZBUJJGSA-N 396.285 2.947 50 1 GFGF CN(C)C(=O)c1csc([C@@]2(CCl)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962897453 KVWYAYJTLYLSNS-KSSFIOAISA-N 396.871 2.670 50 1 GFGF CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2/C=C/c2ccccc2)cc1 1633113 VJBMUESHSPZPMA-WJRNRCBFSA-N 383.835 2.821 50 1 GFGF NC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1ccc(N)cc1)C[C@@H]3CCl 1857544928 DSGWQDAPTJQUBO-JTQLQIEISA-N 384.823 2.537 50 1 GFGF C=CCn1c(=O)c2ccccc2n2c(SC/C(O)=C(\C#N)C(C)=N)nnc12 103110815 GPNJJRDMPBDNPH-WQZXYWPWSA-N 380.433 2.698 50 1 GFGF COC(=O)[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673827 QOTZPFPNGGOAJJ-CPFSXVBKSA-N 395.066 2.886 50 1 GFGF C=CCN1N=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](Cl)C1=O 587546897 KFZFHUOWWZLNGA-ZAAXVRCTSA-N 398.802 2.714 50 1 GFGF CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C[C@H](Cl)[C@H]1O)[C@@H]42 2356631125 QBOYKQULRKMTBV-DEMXLEKDSA-N 388.895 2.633 50 1 GFGF NNC(=O)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 587003743 WXEVEKCBFXXIHU-UHFFFAOYSA-N 399.252 2.521 50 1 GFGF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(C(=O)NN)n1 587865903 OLXDYPKXWGZRPB-UHFFFAOYSA-N 391.353 2.955 50 1 GFGF C=C(C(=O)C=CC(C)(C)OO)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@@H]1OC(=O)C(C)=CC 2356628337 PEGXVZZSSUDMLX-NTNQKNOYSA-N 378.421 2.561 50 1 GFGF O=C1C(=O)[C@H](Cl)[C@@]2(C(=O)[C@H]1Cl)c1ccsc1CCN2Cc1ccco1 962714038 YABDUOZOIHEWQL-YLQAJVPDSA-N 398.267 2.530 50 1 GFGF C=CCn1c(=O)c2ccccc2n2c(SC/C(O)=C(/C#N)C(C)=N)nnc12 101632656 GPNJJRDMPBDNPH-CKPWYSSZSA-N 380.433 2.698 50 1 GFGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(CO)o1 95808259 JUIAPYUEYPUBMD-FYJGNVAPSA-N 387.436 2.907 50 1 GFGF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(C(=O)NN)c1 587868429 LCCAPEMXQZYZJJ-UHFFFAOYSA-N 377.326 2.565 50 1 GFGF COc1cccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)c1 1857578069 JOCJDTYKWNMSHR-UHFFFAOYSA-N 382.441 2.986 50 1 GFGF CSC1=NN=C2[C@H]3CC[C@@H](C)[C@H]4CC[C@@]5(C)OO[C@@]34[C@@H](O5)O[C@@]2(O)S1 43815875 PPJVCDVGFDIZQY-ZDUZQFLXSA-N 386.495 2.700 50 1 GFGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCl)(c2cocn2)N1 962711290 SKYPFXPFKJCFMX-FZMZJTMJSA-N 378.709 2.914 50 1 GFGF O=CC1=COc2ccc(F)cc2[C@@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963224230 IJBYUUYYYGOWGN-KNQAVFIVSA-N 390.370 2.692 50 1 GFGF C[C@]12OC[C@@H]3OC(=O)[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC=C([C@H](OO)O1)[C@H]32 2356565202 RUHYVNDSXWCFOW-NIGFDHHXSA-N 392.448 2.550 50 1 GFGF CCOP(=O)(OCC)OCCN[P@@]1(=O)OCCCN1CCCl 101251952 DHUPDWJPNWCGEU-OAQYLSRUSA-N 378.730 2.843 50 1 GFGF C/C(=N/NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 28654777 BCZZCNOXGYVLCY-BKUYFWCQSA-N 394.387 2.511 50 1 GFGF CC(C)CN(NC(=O)c1ccc(C2CC2)c(O[C@H](C)C(F)(F)F)n1)C(N)=O 207743093 RVOBEALCAMBFKU-SNVBAGLBSA-N 388.390 2.970 50 1 GFGF C=C(CCCC(C)=O)[C@@H](C(=O)O)[C@H](CC(=O)O)C(C=O)=CC=CC(C)(C)O 2356603344 HBNZJZYVOVJXQT-SJLPKXTDSA-N 380.437 2.546 50 1 GFGF CN(C)CCSSCCCn1cc(COc2ccc(C(=O)O)cc2)nn1 618009652 GNXAYFRQNILYPG-UHFFFAOYSA-N 396.538 2.888 50 1 GFGF O=C(CCBr)NCC1=Cc2cccc(F)c2O[C@]1(O)C(F)(F)F 473090097 VDYFRVVRTLIEMV-ZDUSSCGKSA-N 398.150 2.754 50 1 GFGF C[C@@H]1CC[C@H]2[C@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](OCC(F)(F)F)[C@]2(C)O 101268282 LDFCALDHKZTKRF-ZESIZBGXSA-N 382.375 2.888 50 1 GFGF CC(=O)O[C@@H]1C[C@@]2(C)O[C@@H]3C[C@H](Br)C(C)(C)O[C@]3(C)[C@H]1C[C@@H]2O 2356574615 GMBJRQXOVSETGR-ZIGUVNGYSA-N 391.302 2.568 50 1 GFGF O=C(CN1CCN(c2ccc(Cl)cc2)CC1)NNc1nncc2ccccc12 84617605 UBOCMYDHASWWOQ-UHFFFAOYSA-N 396.882 2.549 50 1 GFGF CC(=O)OC[C@@]1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C=O)[C@@H](O)C[C@H]21 238770718 IIOXAOGAOJDHDX-RHPYJLKMSA-N 376.493 2.639 50 1 GFGF NC(=O)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009967 YDOVZSFKQXVLAP-KRWDZBQOSA-N 395.850 2.782 50 1 GFGF COc1nc2ccc(C)cc2cc1[C@H]1[C@@H](Cl)C(=O)N1NC(=O)c1ccncc1 1772602836 HMDMZJNOHGAJIW-SJORKVTESA-N 396.834 2.783 50 1 GFGF CC(C)(C)OC(=O)NN(c1nc(C#N)ncc1Br)C1CCOCC1 58591663 GZQDASMVGUVWPE-UHFFFAOYSA-N 398.261 2.536 50 1 GFGF C[C@]1(c2cc(B(O)O)ccc2Cl)c2ccsc2CCN1Cc1ccco1 962702649 FZRASGHENOZCGG-LJQANCHMSA-N 387.697 2.996 50 1 GFGF COc1cc([C@@H](OC)[C@H](CO)Oc2ccc(C=CC=O)cc2OC)ccc1O 2356530150 FFSBZOPEPNMMNU-LEWJYISDSA-N 388.416 2.749 50 1 GFGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOCc4oc(C)c[n+]4C)[C@@]13OO2 43328103 YXGWMXFYVIALFC-MEBIHWHUSA-N 382.477 2.935 50 1 GFGF CCC[C@@]1(c2ccc(B(O)O)c(C)c2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962577475 YVPLHMJWAFKEMK-QMHKHESXSA-N 397.324 2.612 50 1 GFGF C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)Cc1cnc(N)s1 6995616 SHRWZYSIXDTFPG-UFFVCSGVSA-N 379.873 2.751 50 3 GFGF Cn1nc(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccc1=O 195301340 OCYRJJAPRRPKQT-UHFFFAOYSA-N 392.575 2.899 50 1 GFGF CC1(C)C[C@H](NC(=O)NP(=O)([N@]2CC2(C)C)[N@]2CC2(C)C)C(C)(C)N1O 1857536525 WCJHDPCEOUGPCD-WNVHLOTPSA-N 387.465 2.603 50 1 GFGF CC(C)(C)OC(=O)NN(C[C@@H]1CCCO1)c1nc(C#N)ncc1Br 64361490 XYHYSASODLGXMB-JTQLQIEISA-N 398.261 2.536 50 1 GFGF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C(=O)C=C[C@]([C@H](C)Cl)(C1)[C@H]23 2356407468 ZRGCDYXIJZMJLU-BMQAXYIDSA-N 384.863 2.965 50 1 GFGF CCOC1=C/C(=C2/C=C(c3ccc(NC(C)=O)cc3)NC(N)=C2C#N)C=CC1=O 34222084 HRTXXAZSQHWXGC-ICFOKQHNSA-N 388.427 2.639 50 3 GFGF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1 587204026 ULQLSJCCIUSZAD-UHFFFAOYSA-N 394.435 2.683 50 1 GFGF COc1ccc2nc(C)cc(SCC(=O)NN/C=C3\C=CC(=O)C=C3O)c2c1 13126050 GFGJUVQWTYKKBP-JLHYYAGUSA-N 397.456 2.729 50 3 GFGF COc1cc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2CO)cc(OC)c1O 2356446104 YJXKBHCATWSLFQ-MGPUTAFESA-N 386.400 2.840 50 1 GFGF COc1cc([C@H](OC)[C@H](CO)Oc2ccc(C=CC=O)cc2OC)ccc1O 2356530153 FFSBZOPEPNMMNU-SFTDATJTSA-N 388.416 2.749 50 1 GFGF C[C@H](C(=O)NCCSSCCN(C)C)N(C)C(=O)OCc1ccccc1 618009057 RAWLCTZXMBPQLS-OAHLLOKOSA-N 399.582 2.703 50 1 GFGF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(C(=O)NN)cc2[nH]1)C(C)(C)C 587205512 RSQNGIAELPDAFA-CQSZACIVSA-N 375.473 2.648 50 1 GFGF O=C(CCl)OCC1=CC(=O)[C@@]2(CO1)CC(=O)c1ccc3c(c1O2)CCCC3 587499518 URZSUUBNEJBOEF-FQEVSTJZSA-N 390.819 2.535 50 1 GFGF COc1ccc([C@@]2(CCl)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(OC)c1 963472025 OMWPJSXPSQNYTA-OXJNMPFZSA-N 391.851 2.799 50 1 GFGF NNC(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587656661 KKHAOGAZUKTKOZ-UHFFFAOYSA-N 392.365 2.934 50 1 GFGF CC(=O)Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2/C=C/c2ccccc2)cc1 1633115 VJBMUESHSPZPMA-KYIQILLBSA-N 383.835 2.821 50 1 GFGF O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)N/N=C/c1ccccc1O 73158616 KPZMFQRCBLRAAC-LSHDLFTRSA-N 396.472 2.583 50 1 GFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)n(C)c(=O)n3C)O2 587372046 JFJSKENPPFBRGG-FQEVSTJZSA-N 385.851 2.867 50 1 GFGF CC(=O)C[C@H]1O[C@@H]2[C@H]3[C@@H]1[C@@H](OC(C)=O)[C@@H](C)C[C@@H]3[C@H](C)CO[C@]2(C)/C=C\C=O 238770744 IZBLVPXRSYOQND-SVNIIKHWSA-N 392.492 2.733 50 1 GFGF OB(O)c1cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc(C(F)(F)F)c1 963117928 ZQEJEXNIUIPIHB-SJLPKXTDSA-N 379.162 2.634 50 1 GFGF Cc1[nH]nc2c1[C@@](c1cc(F)cc(N3CCOCC3)c1)(C(C)C)C(C#N)=C(N)O2 1772584312 FJEZVGPOLHUAIJ-OAQYLSRUSA-N 397.454 2.722 50 1 GFGF CN(C)CCSSCCNC(=O)COc1ccc(Br)cc1 618009229 UHLXVINCYKAENK-UHFFFAOYSA-N 393.372 2.887 50 1 GFGF Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-c2ccccn2)c1 1857591622 MFQSCAYVMNLHQE-UHFFFAOYSA-N 385.420 2.819 50 1 GFGF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1OC(=O)Nc1ccc(N=C=S)cc1)N2C 26296909 QZFRFIDBOHIVBW-QKPAOTATSA-N 375.450 2.994 50 1 GFGF NNC(=O)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120209 CKDPJXQQKJPTOB-UHFFFAOYSA-N 378.236 2.594 50 1 GFGF Cc1ccc(S(=O)(=O)Nc2ccccc2C=NNC(=O)c2ccncc2)cc1 254045113 DNPRVWWMZPNVNJ-UHFFFAOYSA-N 394.456 2.955 50 3 GFGF N#C/C(C(=O)COc1ccc(Br)cc1)=C1/NN=C2CCCCCN21 13119192 AOAYIIHRSVORLH-SAPNQHFASA-N 389.253 2.925 50 3 GFGF CC1(C)C[C@@H](/N=C(/O)NP(=O)(N2CC2(C)C)N2CC2(C)C)C(C)(C)N1[O] 96900531 AAQWQQHATJQPFW-MNLZMVCNSA-N 386.457 2.764 50 1 GFGF N#CC1=C([C-](C#N)C#N)N[C@](O)(C2CC2)[C@H]([n+]2ccccc2)[C@@H]1c1ccccc1F 101751063 DBMPXHGIQYCLJL-MZYLBHOOSA-N 399.429 2.539 50 1 GFGF CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCCSSCCN(C)C 618009020 OVVHYRFNMUHICP-KRWDZBQOSA-N 397.610 2.890 50 1 GFGF CCCCn1cc(COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1 169346155 PCOPZUXHFAKKAS-LPYMAVHISA-N 378.436 2.816 50 1 GFGF CCCS(=O)(=O)Nc1n[nH]c2ccc(C3C(C#N)=C(C)NC(C)=C3C#N)cc12 68151697 KTKBZMBCTZQRRZ-UHFFFAOYSA-N 396.476 2.997 50 1 GFGF O=c1c2cnn(-c3ccccc3)c2n2c(CCl)nnc2n1-c1ccccc1 1772597196 SXJKOASWZCAMQP-UHFFFAOYSA-N 376.807 2.958 50 1 GFGF C=C(C(=O)/C=C/C(C)(C)OO)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)CC(C)C 238733024 CXTWIKYEDQZGIF-CNBGQKOQSA-N 380.437 2.641 50 1 GFGF C[Si](C)(O)c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1 653718348 JZXRTEHVZGXFDD-UHFFFAOYSA-N 389.471 2.849 50 1 GFGF CC[C@@]1(CNC(=O)CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547142 ZHPDBDFCALMDFC-APWZRJJASA-N 375.808 2.858 50 1 GFGF CS(=O)(=O)/C(C#N)=C/c1cccn1S(=O)(=O)c1cccc2ccccc12 61944516 NSFRRADKFRJNDA-FOWTUZBSSA-N 386.454 2.787 50 3 GFGF C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)CCSSCCN(C)C 618009562 FIKPJICBZDBPPZ-HNNXBMFYSA-N 399.582 2.703 50 1 GFGF C[C@H](Cl)C(=O)NC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541511 CDWLJRUWSYIDRK-CQOVVYFZSA-N 375.808 2.856 50 1 GFGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCl)(c2cocn2)N1 962711295 SKYPFXPFKJCFMX-RISCZKNCSA-N 378.709 2.914 50 1 GFGF OB(O)c1ccc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)cc1C(F)(F)F 963086577 ANBLNGQGJPQYDR-FZKQIMNGSA-N 379.162 2.634 50 1 GFGF C=C(OCCC[Si](OC)(OC)OC)[C@]1(C)NCCc2c(C(=O)O)cccc21 963129979 HRZYWSWPRWHADE-IBGZPJMESA-N 395.528 2.544 50 1 GFGF CCOc1cc(C(=CC#N)c2ccc(OC)c(OC(=O)CN)c2)ccc1OC 1857623315 NQDQONQTHUPPNR-UHFFFAOYSA-N 382.416 2.922 50 1 GFGF O=C1Nc2ncccc2/C1=C/c1ccc(N2CCN(C(=O)CCCl)CC2)cc1 299837456 OMRTYCGIWGCOJA-JXAWBTAJSA-N 396.878 2.852 50 1 GFGF CCC[C@@]1(c2ccc(B(O)O)c(C)c2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962577478 YVPLHMJWAFKEMK-WAIKUNEKSA-N 397.324 2.612 50 1 GFGF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1 587242649 XZOPFXSIYDINFX-UHFFFAOYSA-N 383.408 2.886 50 1 GFGF O=C(CSc1nnnn1-c1cccc2ccccc12)N/N=C/c1ccco1 98085057 AAAYKFMALXEULM-YBFXNURJSA-N 378.417 2.651 50 1 GFGF COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2CO)cc(OC)c1O 238776266 YJXKBHCATWSLFQ-SQBHOSFOSA-N 386.400 2.840 50 1 GFGF CCN1N=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Cl)C1=O 587707688 WFRNRODSJSFPPG-ZBVHDKTDSA-N 388.668 2.773 50 1 GFGF Cc1cc2c(cc1O)[C@](C#C[Si](C)(C)C)(CBr)N[C@H](C(=O)O)C2 963522107 DYGSRPSDIYUPQO-YOEHRIQHSA-N 396.357 2.771 50 1 GFGF COc1ccc2c([C@@H]3CC(=O)C4=C(C3)OC(N)=C(C#N)[C@@H]4C)cc(=O)oc2c1 95564112 PEFRIZYUAGLOKN-WDEREUQCSA-N 378.384 2.862 50 1 GFGF COc1cc(OC)c(C(=O)N(C)CCSSCCN(C)C)cc1OC 618009771 IAPSWCOUWCWNES-UHFFFAOYSA-N 388.555 2.727 50 1 GFGF Cc1cc(C=NNC(=O)c2cnn(-c3ccccc3)c2N)n(-c2ccccc2)n1 957994845 XYBNYOBOJKMSQF-UHFFFAOYSA-N 385.431 2.713 50 1 GFGF CC1(C)C[C@H](Cl)[C@@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1ccccc14 2356494841 UVONJXOMGVTUQS-FINPGKJESA-N 382.851 2.944 50 1 GFGF C[C@@H](C(=O)N/N=C1\C(=O)Nc2ccc(C(=O)O)c(Cl)c21)c1ccc(F)cc1 72180167 CMFOJAOIFFQAPW-MRVPVSSYSA-N 389.770 2.753 50 1 GFGF COC(=O)[C@H]1[C@@H](OC(=O)Nc2ccc(N=C=S)cc2)C[C@H]2CC[C@@H]1N2C 26296900 QZFRFIDBOHIVBW-FXUDXRNXSA-N 375.450 2.994 50 1 GFGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3cnn(CCCl)c3)N12 962670946 RIIJNSQSWWFFNX-FXAWDEMLSA-N 384.867 2.858 50 1 GFGF C[C@@H]1CC[C@@H]2[C@@]34OO[C@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](OCC(F)(F)F)[C@]2(C)O 169371080 LDFCALDHKZTKRF-YSOCJNBUSA-N 382.375 2.888 50 1 GFGF CCOC(=O)N1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](Br)C1 587373768 SGLVROFHJQUHNE-RHSMWYFYSA-N 397.269 2.907 50 1 GFGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(OC)c1OC 13586107 NCOGEMKUOWRKHY-LJQANCHMSA-N 381.432 2.997 50 1 GFGF CCN1N=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](Cl)C1=O 587547921 MHVOZTCTQDEZJD-POZUXBRTSA-N 386.791 2.548 50 1 GFGF COC(=O)C(C)(C)C[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103198840 OTMGUSOFKGHDIA-QZVAFGLFSA-N 382.453 2.964 50 1 GFGF CCOC(=O)N1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](Br)C1 587373770 SGLVROFHJQUHNE-YOEHRIQHSA-N 397.269 2.907 50 1 GFGF COc1ccc2c(c1)Cc1c-2n[nH]c1C(=O)N/N=C/c1ccc(OC)c(OC)c1 1857608713 USGHTKRGIYNJAE-SSDVNMTOSA-N 392.415 2.771 50 1 GFGF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NN)[nH]c3ccc(Cl)cc23)c1 3654253 PFZGBYBTACWNGP-UHFFFAOYSA-N 377.853 2.874 50 1 GFGF COc1ccc(/C=N\NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OC 33338959 DGLUOPOXNTZBNX-GRSHGNNSSA-N 389.433 2.996 50 1 GFGF Cc1c(C(=O)N/N=C/c2ccccc2)nnn1Nc1ccc(Br)cc1 72114513 XNKMPISRUNYTGA-YBFXNURJSA-N 399.252 2.988 50 1 GFGF CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@](C)(C(=O)O)[C@@H]4CC(=O)[C@@]13C=C2C=O 2356787051 TVVDACSGHQEHDA-TWYHRJGBSA-N 388.460 2.940 50 1 GFGF COc1cc(/C=N\NC(=O)c2ccncc2)ccc1Oc1ccc([N+](=O)[O-])cn1 33342786 VUBVBFKIRGRGAP-JJFYIABZSA-N 393.359 2.950 50 1 GFGF O=C(CBr)NCCc1nc2ccc(F)c(Br)c2[nH]1 586970921 IOHJQMJCKRGSOK-UHFFFAOYSA-N 379.027 2.518 50 1 GFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CCCl)(c1scnc1C)O2 587411169 BGKLSLHDKOZXRR-GOSISDBHSA-N 393.896 2.948 50 1 GFGF N=C(N)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009768 RMGLTDRIODAPDG-KRWDZBQOSA-N 394.866 2.967 50 1 GFGF N#CC1=C(N)[C@H]2[C@@H](CC1=N)Oc1ccc(Br)cc1[C@@H]2C(C#N)C#N 169718723 SZGOYXNOXDRKCQ-PMPSAXMXSA-N 382.221 2.733 50 1 GFGF O=C(CBr)NCCc1nc2c3cccnc3c3ncccc3c2[nH]1 586970425 AKRDOVICNCLQNU-UHFFFAOYSA-N 384.237 2.713 50 1 GFGF COC(=O)[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587672434 FUWOTIPROQEJNO-WPPNPWJKSA-N 395.066 2.886 50 1 GFGF O=C(O)c1cccc2c1CCN[C@@]2(CCl)c1c[nH]c(C(=O)N2CCCC2)c1 963155587 YUYWVFNXUXIDOO-FQEVSTJZSA-N 387.867 2.577 50 1 GFGF N#C/C=C/S(=O)(=O)c1ccc(C2(C(=O)NCc3ccc(F)cc3)CC2)cc1 147583994 GCPWEJBWVKDKNU-HSIUAXRUSA-N 384.432 2.985 50 1 GFGF COC(=O)C(=O)[C@H](Cl)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587686959 DSSZAUZXROTYJD-QWPQFENESA-N 392.652 2.687 50 1 GFGF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)([C@@H](Cl)C(=O)OCC)CC2=O 587459230 NJVZKYDTMSKKCB-LPHOPBHVSA-N 398.839 2.782 50 1 GFGF O=[N+]([O-])OC[C@H](CSSc1ccc(Br)cc1)O[N+](=O)[O-] 34339749 ZBSDYQVYPNXPHR-MRVPVSSYSA-N 385.217 2.975 50 1 GFGF CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2c1 586906070 ICXFUZFCVZSEOK-UHFFFAOYSA-N 399.428 2.571 50 1 GFGF C=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1OC(C)=O)[C@@]1(C)C(C=O)=CCC[C@@H]1C 238758253 VESURABEAQPDNY-IYXQEIILSA-N 390.432 2.798 50 1 GFGF Cc1cc(C)c2c(N)c(C(=O)N/N=C/c3cccn3CCN(C)C)sc2n1 71319159 QXBXQTHNVMBWPH-SRZZPIQSSA-N 384.509 2.622 50 1 GFGF CN(C)CCSSCCNC(=O)C(C)(C)NC(=O)OCc1ccccc1 618009100 SCOFYMADYFSRTO-UHFFFAOYSA-N 399.582 2.751 50 1 GFGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NN=C1C(=O)Nc3ccccc31)O2 1911586772 NXGVPXYZIZDRCH-QFIPXVFZSA-N 393.443 2.874 50 1 GFGF C=C(CCl)[C@@H]1CCC2=C[C@@H](C[C@](C)(O)[C@H](O)c3cc(C=O)c(o3)C1)OC2=O 2356805138 VEJQZTYJCRVZSZ-UDEZELNTSA-N 394.851 2.866 50 1 GFGF CCNC(=S)NNC(=O)Cn1c(C2CC2)nc2cc(Cl)c(Cl)cc21 1772623638 MLJXYKPPYLOQMG-UHFFFAOYSA-N 386.308 2.736 50 1 GFGF CCN1N=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Cl)C1=O 587702701 DZFLUGVIRXOERG-ZBVHDKTDSA-N 388.668 2.773 50 1 GFGF O=C(N/N=C/[c-]1cc(Cl)cc([N+](=O)[O-])c1=O)NC12CC3CC(CC(C3)C1)C2 169688670 JZLQNWIKHMQHJN-AWQFTUOYSA-N 391.835 2.929 50 1 GFGF CN(C)CCSSCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O 618008172 TWZLEYZKXWHQLP-AWEZNQCLSA-N 385.580 2.549 50 1 GFGF COC(=O)[C@]1([C@@H](Cl)C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587688775 OCSBVHMJAGDHFL-CRPZRDSHSA-N 392.652 2.687 50 1 GFGF COC(=O)c1ccccc1C1=C([N+](=O)[O-])[C@H](c2ccccc2)C(C#N)=C(N)O1 1659680 NBJPQWIOYNFAGB-MRXNPFEDSA-N 377.356 2.926 50 1 GFGF NNC(=O)NN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O 13760066 QBIKBPCWRURMJF-UHFFFAOYSA-N 398.382 2.640 50 1 GFGF C[C@@H]1CC[C@@H]2[C@]34OO[C@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](OCC(F)(F)F)[C@]2(C)O 169371083 LDFCALDHKZTKRF-ICVUJBSTSA-N 382.375 2.888 50 1 GFGF COC(=O)C=C(CC[C@@H]1C(C=O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@@]12C)COC=O 2356420334 WNGUATLTENRAIQ-RQIDZSJNSA-N 392.492 2.988 50 1 GFGF O=C(CBr)NCCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586970409 AFCQUQJMDFONQC-UHFFFAOYSA-N 386.249 2.848 50 1 GFGF O=CN/N=C/c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1O 1857634217 QCCKVUPLCSIIHD-FYJGNVAPSA-N 395.440 2.940 50 1 GFGF CC(=O)OC(C=C(C=O)[C@@H](CC=C(C)C#CC=C(C)C)OC(C)=O)OC(C)=O 2356716757 XHCKRICYYQUIMU-HXUWFJFHSA-N 390.432 2.802 50 1 GFGF C=C(C(=O)C=CC(C)(C)OO)[C@@H]1C[C@@H]2O[C@@]2(C)C(=O)[C@H]1OC(=O)C(C)=CC 2356628340 PEGXVZZSSUDMLX-XCGRYBKZSA-N 378.421 2.561 50 1 GFGF CCOC(=O)[C@]1([C@H](Cl)C(C)=O)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962573570 SNWIPDNEIPSULT-OWOPXTPDSA-N 383.872 2.535 50 1 GFGF COc1ccc(/C=N/NC(=O)CCn2cc(C)c3c(CO)cccc32)cc1OC 115598325 MFXBKWXWXHALNK-FSJBWODESA-N 395.459 3.000 50 1 GFGF CN(C)C(=O)[C@H](Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544883 PLNACAMFIIBTRQ-FNHZYXHNSA-N 375.808 2.808 50 1 GFGF CCN(CC)c1ccc2cc(C(N)=O)/c(=N/NC(=O)c3ccc(C)cc3)oc2c1 1505434 QQTSALFGFBCGAB-LVWGJNHUSA-N 392.459 2.932 50 1 GFGF C=CCOC(=O)/C(C#N)=C1\S[C@@H](CNc2ccc(C(C)=O)cc2)C(=O)N1CC 101204273 YIDXKEGWLMTUBI-DOMQTXCISA-N 399.472 2.729 50 1 GFGF CCC(C(=O)NNS(=O)(=O)c1ccc(C)cc1)(C(F)(F)F)C(F)(F)F 68573028 PZRZQRPCDAXYCK-UHFFFAOYSA-N 392.321 2.826 50 1 GFGF biogenic COc1cc2c3c(c1)O[C@@](CNC(=O)CCl)(c1cccs1)[C@@H](C2)C3=O 587450260 IHHIKSSCHBWKTP-KPZWWZAWSA-N 377.849 2.755 50 1 GFGF Cc1c(O)ccc2c1[C@](CCl)(c1ccc3nc(O)oc3c1)N[C@H](C(=O)O)C2 963513097 YBHTVXLWBJRHLV-DJJJIMSYSA-N 388.807 2.629 50 1 GFGF N#CC1=C([C-](C#N)C#N)N[C@](O)(C2CC2)[C@@H]([n+]2ccccc2)[C@H]1c1ccccc1F 101751081 DBMPXHGIQYCLJL-PMVMPFDFSA-N 399.429 2.539 50 1 GFGF COC(=O)[C@]1([C@H](C)Br)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962568150 LBJQBENQKHJQGP-DINDLPBHSA-N 386.286 2.732 50 1 GFGF Cc1c(O)ccc2c1[C@](C)(C(C#N)=C1Nc3ccccc3N1)N[C@H](C(=O)O)C2 963492078 PYRYLVKQRJNXAX-KKSFZXQISA-N 376.416 2.788 50 1 GFGF Nc1nnc(CC(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)s1 15987676 MGGQDDBKVDYOFJ-FBHDLOMBSA-N 385.424 2.531 50 1 GFGF COc1ccc(B(O)O)c([C@@H]2c3ccccc3CCN2[C@H](C#N)c2ccccc2)c1 963194729 UBKVVSHVYLPZPO-RPWUZVMVSA-N 398.271 2.587 50 1 GFGF CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2[C@H](C=O)/C1=C(\C=O)C(=O)O 238779164 BZCUJLGQIQXOMA-QORWWMOHSA-N 396.443 2.511 50 1 GFGF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCSSCCN(C)C 618009382 WTUVIHTVCSCTPD-AWEZNQCLSA-N 393.619 2.985 50 1 GFGF COc1cc([C@@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2CO)cc(OC)c1O 2356446106 YJXKBHCATWSLFQ-YWZLYKJASA-N 386.400 2.840 50 1 GFGF COC(=O)[C@]1([C@H](Cl)C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587688295 KUWCBHCTDKAUMX-LNSLMCEBSA-N 392.652 2.687 50 1 GFGF O=C(CCl)OCC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)CO1 587496208 CDIOZMRTVXRWHE-FQEVSTJZSA-N 390.819 2.535 50 1 GFGF CC(C)(C(=O)NCC#Cc1ccccc1)c1ccc(S(=O)(=O)/C=C/C#N)cc1 147432706 HTMJBPOHSPXHCI-REZTVBANSA-N 392.480 2.943 50 1 GFGF COC(C)(C)[C@@H](Br)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586971809 ZGRZDYWYXSWNGU-LBPRGKRZSA-N 390.303 2.674 50 1 GFGF CCOC(=O)N1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](Br)C1 587373769 SGLVROFHJQUHNE-WMLDXEAASA-N 397.269 2.907 50 1 GFGF COC(=O)[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673828 QOTZPFPNGGOAJJ-FUXBKTLASA-N 395.066 2.886 50 1 GFGF Br[C@@H](Cn1ncc2c(N3CCOCC3)ncnc21)c1ccccc1 28569632 GAXKBWOVSXXRGE-HNNXBMFYSA-N 388.269 2.799 50 1 GFGF COc1cc(Br)cc(/C=N/NC(=O)CCCCCC(=O)O)c1O 95808599 KJQDBULPHOKJPY-RQZCQDPDSA-N 387.230 2.649 50 1 GFGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12CCC=C2B(O)O 961748191 JDXRRMNYIVZFEE-NRFANRHFSA-N 384.285 2.765 50 1 GFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Sc3nnnn3C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 1857595623 RJALRYIMVKEXQM-IMKFSYLWSA-N 382.486 2.510 50 1 GFGF COC1=C[C@@H](OC)C(C=O)=C(c2c(C)cc(OC)c(OC)c2OC)[C@H]1OC 40891591 WGBVRPRGSQVIMC-ACJLOTCBSA-N 378.421 2.547 50 1 GFGF COC(=O)C#C[C@]12C=C(C#N)C(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2 71329655 PVOZFHFCTFPVIN-PDIWNELESA-N 388.423 2.583 50 1 GFGF C/C(=N\NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cc(F)ccc1O 1857760476 XKZIRFHTDGQDSJ-BJPPMWOHSA-N 377.366 2.795 50 1 GFGF CN(C)c1nc(N2CCOCC2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 40914170 PILUHXMDBJGVEZ-MRXNPFEDSA-N 386.887 2.709 50 1 GFGF CN(C)CCSSCCNC(=O)c1ccncc1C(=O)c1ccccc1 618008165 SZEGTJBXQJLXFK-UHFFFAOYSA-N 389.546 2.985 50 1 GFGF COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc3c(c2)OCCO3)ccc1Cl 84671883 OYXPEJNRVOBGQG-NIQDBXHUSA-N 390.823 2.958 50 1 GFGF O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc(OCC(F)(F)F)cc1)c1ccncc1 49112365 IXXCJZGWWYWSNC-CABCVRRESA-N 379.338 2.587 50 1 GFGF C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCCSSCCN(C)C 618008371 FJWPWSOAZPYECW-OAHLLOKOSA-N 399.582 2.751 50 1 GFGF CC(C)(NC(=O)CCl)c1nc2ccc(I)cc2[nH]1 587009860 WFBHLLRZCINUKQ-UHFFFAOYSA-N 377.613 2.758 50 1 GFGF O=C(NNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)c1c[nH]c2ccccc12 72173500 SORCKOZDYBIIFF-UHFFFAOYSA-N 375.306 2.831 50 1 GFGF O=C1OC(=O)c2cc(-c3nc4cc(I)cnc4[nH]3)ccc21 586906575 OCUBZQKLVGOCKP-UHFFFAOYSA-N 391.124 2.540 50 1 GFGF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(C(=O)NN)cc2[nH]1)C(C)(C)C 587205509 RSQNGIAELPDAFA-AWEZNQCLSA-N 375.473 2.648 50 1 GFGF CC(C)[C@H](C(=O)NCCSSCCN(C)C)N1Cc2ccccc2C1=O 618009212 SXQJHZDPOVQZOV-QGZVFWFLSA-N 395.594 2.726 50 1 GFGF CC(=O)Nc1cc([C@@]2(CCl)NC[C@H]3CC(=O)N(C)c4cccc2c43)ccc1O 963015850 ASGHRPMJBCQNAO-LRTDBIEQSA-N 399.878 2.886 50 1 GFGF COc1ccc2c(c1)[C@@](CBr)(c1ccnc(N)n1)N(C(C)C)CC2 962087013 COAGPCHVPXWEIK-SFHVURJKSA-N 391.313 2.972 50 1 GFGF CCN1N=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](Cl)C1=O 587707685 WFRNRODSJSFPPG-BCSUUIJWSA-N 388.668 2.773 50 1 GFGF CN(C)S(=O)(=O)c1cccc2nc([C@H](Br)C(C)(C)F)[nH]c12 587087387 PJPDKHDJMLUHLB-NSHDSACASA-N 378.267 2.997 50 1 GFGF COC(=O)[C@@H]1[C@@H](OC(=O)Nc2cccc(N=C=S)c2)C[C@H]2CC[C@H]1N2C 169370049 LPOMDZXSJNUSGX-WCVJEAGWSA-N 375.450 2.994 50 1 GFGF O=C1C=C(COP(=O)(NCCCl)NCCCl)C(=O)c2ccccc21 26939918 NXTODOHHVJQSQD-UHFFFAOYSA-N 391.191 2.774 50 1 GFGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3cnn(CCCl)c3)N12 962670951 RIIJNSQSWWFFNX-XLIONFOSSA-N 384.867 2.858 50 1 GFGF O=C(CI)NCCCCCC(=O)OCc1ccccc1 169348025 OUAGSSMDJSQIRQ-UHFFFAOYSA-N 389.233 2.841 50 1 GFGF COC1=C/C(=C/NNC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)C=C(Br)C1=O 138307862 LZQLJHQICKHTHO-DJDGAZEOSA-N 381.270 2.709 50 3 GFGF COc1cccc([C@H]2[C@@H]3CN(C)CCC3=C(C#N)C(=N)C2(C#N)C#N)c1OC 169688624 KVYLDCYWHKKLKO-AEFFLSMTSA-N 375.432 2.626 50 1 GFGF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN(C)C)cccc2-3)s1 13588746 VWMKXSIQIRRBPL-UHFFFAOYSA-N 383.433 2.956 50 1 GFGF CCc1ncc(S(=O)(=O)N(N)C(=O)c2ccc(Cl)cc2Cl)s1 28357123 FVYGEEXHNMTCTH-UHFFFAOYSA-N 380.278 2.717 50 1 GFGF C=CCOC(=O)N[C@H](c1ccc(F)c(F)c1)[C@@H](C(=O)CCl)C(=O)OC 8689823 ORWDTNZMDJHHLX-ZIAGYGMSSA-N 375.755 2.515 50 1 GFGF CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)NCCSSCCN(C)C 618009021 OVVHYRFNMUHICP-QGZVFWFLSA-N 397.610 2.890 50 1 GFGF COc1cc2c3c(c1)O[C@](CNC(=O)CBr)(C(C)(C)C)[C@@H](C2)C3=O 587414784 XIVUEIKCAUHWBT-SGTLLEGYSA-N 396.281 2.739 50 1 GFGF O=C(CCCC[C@@H]1CCSS1)N1CCN(c2ncnc3[nH]cnc23)CC1 95561864 YYJDGQAVZGEFII-CYBMUJFWSA-N 392.554 2.716 50 1 GFGF Cc1c(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979481 DDXNDRTZSIRVCU-UHFFFAOYSA-N 390.197 2.813 50 1 GFGF CCN1N=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](Cl)C1=O 587707687 WFRNRODSJSFPPG-RPAKXZQJSA-N 388.668 2.773 50 1 GFGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@H]1c1ccc(O)cc1 103206141 AAPZLCJHWQNVLK-DZGCQCFKSA-N 376.199 2.893 50 1 GFGF COc1ccccc1OS(=O)(=O)c1ccc(NC(=O)NCCCl)cc1 473152899 WYWDZLWFXGLHBD-UHFFFAOYSA-N 384.841 2.823 50 1 GFGF N[P@](=O)(OCC1=CC(=O)c2ccccc2C1=O)N(CCCl)CCCl 26848245 IGGOTGXGZSXFDQ-DEOSSOPVSA-N 391.191 2.855 50 1 GFGF CC(=O)O[C@@H]1C=C2C(=O)OC[C@@H]2O[C@]2(C)CC[C@@H](Br)C(C)(C)[C@@H]12 2356808183 YNVBWSHHSHMWRT-QFRSUPTLSA-N 387.270 2.759 50 1 GFGF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](N)CCl)[nH]c3c2)cc1 587010668 MTRNNVMXTGKTGD-CYBMUJFWSA-N 380.857 2.611 50 1 GFGF CC1=C(CCCl)C(=O)N2CCC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)[C@H]2N1 587375267 KVAQWSABNDMAGZ-PMACEKPBSA-N 389.883 2.736 50 1 GFGF CC/C(=N/NC(N)=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 1857546956 IUQHCRQDKGUKCH-FXBPSFAMSA-N 384.461 2.969 50 1 GFGF CCOC(=O)C[C@]1([C@@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415547 ULDNHXMHSUSSAF-OGTWGDGJSA-N 383.238 2.918 50 1 GFGF C[C@H](Cl)C(=O)NC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541515 CDWLJRUWSYIDRK-SVBQJQNYSA-N 375.808 2.856 50 1 GFGF CCN1N=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](Cl)C1=O 587702685 DZFLUGVIRXOERG-BCSUUIJWSA-N 388.668 2.773 50 1 GFGF CCOc1cc(C(=CC#N)c2ccc(OC)c(NC(=O)CN)c2)ccc1OC 1857623322 GPCUOIGHARZLFS-UHFFFAOYSA-N 381.432 2.955 50 1 GFGF COc1cc([C@@H](Oc2ccc(C=CC=O)cc2OC)[C@H](CO)OC)ccc1O 2356535104 OXIOOSQVRKLEPO-LEWJYISDSA-N 388.416 2.749 50 1 GFGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1sccc1Cl 618007575 APHNTHOPDJLUNP-JTQLQIEISA-N 382.960 2.616 50 1 GFGF Cc1c(O)ccc2c1[C@@](CCl)(c1ccc3nc(O)oc3c1)N[C@H](C(=O)O)C2 963513098 YBHTVXLWBJRHLV-ORAYPTAESA-N 388.807 2.629 50 1 GFGF O=C(CSc1nc2ccccc2s1)N/N=C/[c-]1cc([N+](=O)[O-])ccc1=O 169693965 CWEUJXSNIJBBCD-CAOOACKPSA-N 387.422 2.526 50 1 GFGF CCN1N=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Cl)C1=O 587702697 DZFLUGVIRXOERG-MIUALZABSA-N 388.668 2.773 50 1 GFGF C[C@@]12OC[C@@H]3OC(=O)[C@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@@H]4C/C=C(\[C@@H]31)[C@@H](OO)O2 95918750 RUHYVNDSXWCFOW-RDZGQKGGSA-N 392.448 2.550 50 1 GFGF biogenic,in-vitro NNC(=O)c1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587218303 IKOFKSPFOJNKLK-IBGZPJMESA-N 385.427 2.686 50 1 GFGF C[C@@H](C(=O)N/N=C/c1ccco1)N1C(=O)c2ccccc2N[C@@H]1c1ccco1 1772616676 FZWBZYXKXOXVKU-LLZYCUEYSA-N 378.388 2.978 50 1 GFGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1O 103206134 LZKUUIVMBCNVGK-ZFWWWQNUSA-N 376.199 2.893 50 1 GFGF CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccsc2)cc1 1857642656 LIPUAESTXVEDTH-UHFFFAOYSA-N 377.491 2.586 50 1 GFGF CC1(C)C2=C(O[C@H]1CI)C(=O)c1c(O)cccc1C2=O 49070658 MXSCKQOKGKLBPY-VIFPVBQESA-N 384.169 2.885 50 1 GFGF NNC(=O)c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 586908416 AXUCNTHXHDOUAR-HXUWFJFHSA-N 384.480 2.816 50 1 GFGF COC(=O)[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587672431 FUWOTIPROQEJNO-FUXBKTLASA-N 395.066 2.886 50 1 GFGF NC(=O)N1CCc2sccc2[C@]1(CBr)c1ccc(O)cc1O 962720665 XPIUZIIYTCDJDB-HNNXBMFYSA-N 383.267 2.735 50 1 GFGF COC(=O)C1=CN(c2ccc3c(c2)OCO3)C(N)=C(C#N)[C@H]1c1cccc(F)c1 95567833 BEZYDPGHTUPFHL-LJQANCHMSA-N 393.374 2.909 50 3 GFGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CNC(C)=O)o1)[C@@H](C2)C3=O 587420080 GGARTTYZBIREMX-LIRRHRJNSA-N 375.808 2.806 50 1 GFGF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)([C@H](Cl)C(=O)OCC)CC2=O 587459227 NJVZKYDTMSKKCB-APWZRJJASA-N 398.839 2.782 50 1 GFGF COc1cc(CO[P@](N)(=O)N(CCCl)CCCl)ccc1[N+](=O)[O-] 64540575 YLFVVBLOJWWNQX-QHCPKHFHSA-N 386.172 2.966 50 1 GFGF COc1cc([C@@H]2Oc3c(OC)cc(C=CC=O)cc3[C@H]2CO)cc(OC)c1O 2356446105 YJXKBHCATWSLFQ-QRWLVFNGSA-N 386.400 2.840 50 1 GFGF COc1cccc2c(=O)c3c(O)cc(OC[C@@H](O)CBr)cc3oc12 28822730 OYTBZPZTVSIWJB-VIFPVBQESA-N 395.205 2.795 50 1 GFGF CCOC(=O)C(C)(C)[C@@]1(CBr)NCCc2nc3ccccn3c21 962985812 HGAJGTILVBLERE-KRWDZBQOSA-N 380.286 2.660 50 1 GFGF Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 195501419 CXIAWCOBGBHOCC-XQQFMLRXSA-N 381.509 2.833 50 1 GFGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O[C@@H](C)C(=O)NN)cc1)CC2=O 587471394 RQRXBDJFOHKEEP-WHEQGISXSA-N 398.459 2.983 50 1 GFGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2cc2c(c3C)OCO2)cc2c1OCO2 40614070 ZGNLPUKKWYCTRG-MRXNPFEDSA-N 380.356 2.679 50 1 GFGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3C[C@H](C)C[C@@H]3C=C(C=O)[C@@]12O 2356530051 AWWSRRPFKHBPKA-JQJOEXNISA-N 386.444 2.874 50 1 GFGF CC(=O)O[C@@H]1C=C2C(=O)OC[C@@H]2O[C@]2(C)CC[C@H](Br)C(C)(C)[C@@H]12 2356808184 YNVBWSHHSHMWRT-XBRDJLCQSA-N 387.270 2.759 50 1 GFGF O=C(N/N=C\c1cccc(OC(=O)c2ccco2)c1)c1ccc2c(c1)OCO2 33288542 GNYOHTYZOUTCQW-NHDPSOOVSA-N 378.340 2.991 50 3 GFGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@@H]1c1ccc(O)cc1 103206143 AAPZLCJHWQNVLK-ZFWWWQNUSA-N 376.199 2.893 50 1 GFGF C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)OCCl 118933105 YPPDYVHSNXPRMX-XFZBMJNESA-N 396.911 2.816 50 1 GFGF CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)c2cccc(C(=O)NO)c2)c1 95808986 MKYHHASILYUQBC-CIAFOILYSA-N 398.419 2.917 50 1 GFGF C[C@H]1OCC[C@@H]1N(NC(=O)OC(C)(C)C)c1nc(C#N)ncc1Br 64490890 ZCSJZWWEJRJUMX-KOLCDFICSA-N 398.261 2.534 50 1 GFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)n(C)c(=O)n3C)O2 587372047 JFJSKENPPFBRGG-HXUWFJFHSA-N 385.851 2.867 50 1 GFGF NNC(=O)c1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914455 MXLNHSRDWRAIPR-UHFFFAOYSA-N 388.383 2.935 50 1 GFGF COC(=O)[C@@]1([C@H](C)Br)NCCc2cnc3c(OC)cccc3c21 963045477 GDVYTBKEXHNRIY-BTDLBPIBSA-N 379.254 2.541 50 1 GFGF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H]([C@](C)(O)CCl)O2 5759697 QDSRUIDWGNCDAY-IFXJQAMLSA-N 376.792 2.954 50 1 GFGF biogenic CC1=C(CCCl)C(=O)N2CCC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)[C@@H]2N1 587375281 KVAQWSABNDMAGZ-WOJBJXKFSA-N 389.883 2.736 50 1 GFGF CCCCc1[nH]nc2c1[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1857764311 ODEVPZPMRYGTNH-AWEZNQCLSA-N 385.380 2.593 50 1 GFGF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21 1857533750 NFBUCIKIRFTJEO-SFHVURJKSA-N 398.430 2.616 50 1 GFGF Cc1n[nH]c(O)c1CCC(=O)N/N=C/C(Br)=C/c1ccccc1 2955811 YIQGNKNDLIGKOL-LROCIMMESA-N 377.242 2.894 50 1 GFGF COc1cc(OC)c(C(=O)NCCCSSCCN(C)C)cc1OC 618012471 IASDAXAGPFHBRV-UHFFFAOYSA-N 388.555 2.775 50 1 GFGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1O 103206131 LZKUUIVMBCNVGK-DZGCQCFKSA-N 376.199 2.893 50 1 GFGF C[C@@H]1C(=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1O 2356703136 NRZKHYBFLAMACN-BBTUJRGHSA-N 398.575 2.876 50 1 GFGF O=C(CCl)OCC1=CC(=O)[C@]2(CO1)CC(=O)c1ccc3c(c1O2)CCCC3 587499519 URZSUUBNEJBOEF-HXUWFJFHSA-N 390.819 2.535 50 1 GFGF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)C(C#N)=COc2cc(Cl)ccc21 963492363 QFTPKNMZRJKSQT-OXJNMPFZSA-N 382.803 2.996 50 1 GFGF COC1=C[C@H](OC)C(C=O)=C(c2c(C)cc(OC)c(OC)c2OC)[C@H]1OC 40891592 WGBVRPRGSQVIMC-UGSOOPFHSA-N 378.421 2.547 50 1 GFGF COc1cc(/C=C(\C#N)C(N)=O)cc(CSc2nc3ccccc3[nH]2)c1O 13833852 KDPPKUHLJVHJSQ-WUXMJOGZSA-N 380.429 2.962 50 1 GFGF CC1(C)CC(N[P@](=O)(O)N(CCCl)CCCl)CC(C)(C)N1[O] 101971121 WMENMCVBFDVSRQ-UHFFFAOYSA-N 375.257 2.823 50 1 GFGF CN(C)c1ccc(/C=N/NC(=O)[C@@H](O)c2ccc(Br)cc2)cc1 1021108 VCYRHVNPKLXAON-ZVCOJXFSSA-N 376.254 2.699 50 3 GFGF O=C1[C@H](Cl)[C@@H](c2ccc([N+](=O)[O-])cc2)N1/N=C/CCn1nnc2ccccc21 66262769 GMLNNLIJAMGSHE-IDBYYCQGSA-N 398.810 2.906 50 1 GFGF Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 195501414 CXIAWCOBGBHOCC-UPJWGTAASA-N 381.509 2.833 50 1 GFGF NCCCNCCCCNCc1ccc(N(CCCl)CCCl)cc1 29135297 BYJIIENUGPRMPF-UHFFFAOYSA-N 375.388 2.779 50 1 GFGF COc1ccc(/C=N/NC(=O)c2[nH]nc3c2Cc2cc(F)ccc2-3)cc1OC 1857584098 BPVZRVFUTXOXGB-LSHDLFTRSA-N 380.379 2.901 50 1 GFGF CSC1=NN=C2[C@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)OO[C@]43[C@H](O[C@]2(O)S1)O5 169370824 PPJVCDVGFDIZQY-FUVXOUGJSA-N 386.495 2.700 50 1 GFGF CN(C)CCSSCCNC(=O)C1=C(Cl)N[C@@H](C(F)(F)F)C=C1 618011828 ZNMKCJFIACQCPF-SNVBAGLBSA-N 389.896 2.586 50 1 GFGF O=C(CCl)N[C@H](Cc1ccco1)C(=O)Nc1cccc(Br)c1 38238811 CNLXCVXTVJMLOT-CYBMUJFWSA-N 385.645 2.947 50 1 GFGF COC(=O)[C@H]1[C@H](OC(=O)Nc2cccc(N=C=S)c2)C[C@H]2CC[C@H]1N2C 253701731 LPOMDZXSJNUSGX-KLHDSHLOSA-N 375.450 2.994 50 1 GFGF CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2cccs2)c1 5591627 SFJFETANDWZUNI-QGOAFFKASA-N 379.507 2.933 50 3 GFGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cncc([N+](=O)[O-])c2[nH]1 587009824 VAXBVAIOWKNCMA-ZDUSSCGKSA-N 398.810 2.986 50 1 GFGF C[C@@H]1CC[C@H]2[C@@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](OCC(F)(F)F)[C@@]2(C)O 58689304 LDFCALDHKZTKRF-UPIZQXNLSA-N 382.375 2.888 50 1 GFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CBr)(C(C)(C)C)O2 587373526 LWMWESZWZSEUNQ-QGZVFWFLSA-N 383.286 2.838 50 1 GFGF CSC1=NN=C2[C@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)OO[C@]43[C@@H](O5)O[C@@]2(O)S1 169370823 PPJVCDVGFDIZQY-BZHZBGJASA-N 386.495 2.700 50 1 GFGF C[C@@H](Br)C(=O)Nc1cccc(C(=O)NC(=O)Nc2ccccn2)c1 40936328 COFDRCHYYAIJCR-SNVBAGLBSA-N 391.225 2.765 50 1 GFGF CC(C)(NC(=O)CCl)c1nc2cccc(I)c2[nH]1 587009574 LSSYAEQQMQRVHX-UHFFFAOYSA-N 377.613 2.758 50 1 GFGF COc1cc2c(cc1C(=O)NN)CC[C@H]1C(C)(C)c3nc(C)ncc3C[C@]21C 1857602571 MAXJLUZQCYOQNP-PGRDOPGGSA-N 380.492 2.751 50 1 GFGF CC(C)CN(NC(=O)c1ccnn1-c1ccccc1)c1nc(C#N)ncc1Cl 66259115 ZZDODPJKARGHOY-UHFFFAOYSA-N 395.854 2.995 50 1 GFGF CCCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O 149810703 XZWUVAIWUWBDBO-LFVJCYFKSA-N 394.519 2.613 50 1 GFGF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc(C=O)c(OC(C)C)c(B(O)O)c1 963226846 ICNBTTQLWIVRHD-KSFYIVLOSA-N 395.308 2.712 50 1 GFGF COc1ccc2c(c1)c(CC(=O)NN)c(Br)n2Cc1ccccc1 13445893 BHQHXHOQKMABIA-UHFFFAOYSA-N 388.265 2.993 50 1 GFGF COc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 16508871 RZYBKWYNVAGYMT-UHFFFAOYSA-N 381.344 2.938 50 1 GFGF O=[N+]([O-])OC[C@@H](CSSc1ccc(Br)cc1)O[N+](=O)[O-] 34339750 ZBSDYQVYPNXPHR-QMMMGPOBSA-N 385.217 2.975 50 1 GFGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587686956 DSSZAUZXROTYJD-CRPZRDSHSA-N 392.652 2.687 50 1 GFGF Cc1cc(Br)cc2nc(CCNC(=O)CBr)[nH]c12 586971329 PYVHPZAEDBDULZ-UHFFFAOYSA-N 375.064 2.687 50 1 GFGF COC(=O)[C@@H]1[C@H](OC(=O)Nc2ccc(N=C=S)cc2)C[C@H]2CC[C@H]1N2C 100737984 QZFRFIDBOHIVBW-FPCVCCKLSA-N 375.450 2.994 50 1 GFGF O=C(N/N=C/c1ccccc1O)c1c[nH]c2ccc(Br)cc2c1=O 1911581567 JZAVFWLTTNMZDT-DNTJNYDQSA-N 386.205 2.760 50 1 GFGF O=[N+]([O-])c1cncn1CCN(CCBr)Cc1ccc(F)cc1F 96926857 IJNWXKQCWQPUNZ-UHFFFAOYSA-N 389.200 2.967 50 1 GFGF Cc1ccc(-c2nnc(SCc3nc4ccc(C(=O)NN)cc4[nH]3)n2C)cc1 586965599 MGNICBGSDXJYKU-UHFFFAOYSA-N 393.476 2.563 50 1 GFGF CC[C@H](C)[C@H](NC(=O)c1ccc(OC)cc1)C(=O)N/N=C/c1ccc(O)cc1 45338559 GLJZMTINBAVPQD-SLLKKCNZSA-N 383.448 2.696 50 1 GFGF COC(=O)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538324 PBIPJHLXGWKYNI-SUMWQHHRSA-N 393.189 2.661 50 1 GFGF CC(=O)Nc1cc([C@@]2(CCl)NC[C@@H]3CC(=O)N(C)c4cccc2c43)ccc1O 963015854 ASGHRPMJBCQNAO-YEJXKQKISA-N 399.878 2.886 50 1 GFGF CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC(=O)[C@@]13C=C2C=O 2356787049 TVVDACSGHQEHDA-GWPIORAISA-N 388.460 2.940 50 1 GFGF CC(=O)O/C=C/C(=C\OC(C)=O)[C@H](C/C=C(\C)C#C/C=C(\C)C=O)OC(C)=O 238765789 HWMRDXWSLUIIGO-AUDWKFDDSA-N 388.416 2.927 50 1 GFGF O=C(O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCNCC1 621477461 LPVITELPRKZWBH-ISFVMCMQSA-N 392.496 2.798 50 1 GFGF CC(=O)Nc1cc([C@]2(CCl)NC[C@H]3CC(=O)N(C)c4cccc2c43)ccc1O 963015847 ASGHRPMJBCQNAO-ASSNKEHSSA-N 399.878 2.886 50 1 GFGF COc1nc2ccc(C)cc2cc1[C@H]1[C@H](Cl)C(=O)N1NC(=O)c1ccncc1 1772602835 HMDMZJNOHGAJIW-IRXDYDNUSA-N 396.834 2.783 50 1 GFGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C=O)[C@@H](O)C[C@@H]2[C@@]1(C)CO 238734487 CLOLDMTTYQNMNE-YYOUGLFJSA-N 376.493 2.639 50 1 GFGF N[P@@](=O)(OCC1=CC(=O)c2ccccc2C1=O)N(CCCl)CCCl 26848238 IGGOTGXGZSXFDQ-XMMPIXPASA-N 391.191 2.855 50 1 GFGF NCCCCNCCCNCc1ccc(N(CCCl)CCCl)cc1 29135295 VUDBAKLUTLVPPJ-UHFFFAOYSA-N 375.388 2.779 50 1 GFGF CCN1C(=O)C[C@@H](c2nc3ccc(C(=O)NN)cc3[nH]2)[C@@H]1c1ccccc1Cl 587062109 SQRFDPDFDQYCRS-ACJLOTCBSA-N 397.866 2.897 50 1 GFGF O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(OCC(F)(F)F)cc1)c1ccncc1 49112366 IXXCJZGWWYWSNC-LSDHHAIUSA-N 379.338 2.587 50 1 GFGF O=C(N/N=C/c1c(-c2ccccc2)no[n+]1[O-])c1ccc(Br)cc1 169352101 IUXJSZAGARXAKY-VCHYOVAHSA-N 387.193 2.501 50 1 GFGF COC(=O)C=C(CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C)COC=O 2356420332 WNGUATLTENRAIQ-BAYUQKDNSA-N 392.492 2.988 50 1 GFGF O=C1c2c3c(cc(O)c2[C@H](O)[C@H](O)[C@@H]1Cl)-c1ccc(O)c2c(O)ccc-3c12 299818788 AMQOBMMZEFKRQQ-YZGWKJHDSA-N 384.771 2.802 50 1 GFGF O=C(O)CNC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49784141 FVYUPOZREKKEML-UHFFFAOYSA-N 379.453 2.595 50 1 GFGF C[C@H]1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]23[C@H](O[C@@H]1OC(=O)CCC(=O)O)O4 195261681 FIHJKUPKCHIPAT-BIHGMGQHSA-N 384.425 2.602 50 1 GFGF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O[C@H](C)C(=O)NN)cc1)CC2=O 587471393 RQRXBDJFOHKEEP-MCMMXHMISA-N 398.459 2.983 50 1 GFGF CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCSSCCN(C)C 618008460 GUOWQTISCGRPFW-KBPBESRZSA-N 393.619 2.985 50 1 GFGF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(=O)NN)ccn1 587865527 AOVLQTZGTFIZBH-UHFFFAOYSA-N 391.353 2.955 50 1 GFGF COc1cc(OC)c2c(c1)C(=O)c1cc(CNCCCl)cc(OC)c1C2=O 29337791 ASBGRAZKCJKIQW-UHFFFAOYSA-N 389.835 2.816 50 1 GFGF Cc1ccc(S(=O)(=O)N(C=O)N=C2CCN(Cc3ccccc3)CC2)cc1 73386604 CGRLFLSCVXIEMT-UHFFFAOYSA-N 385.489 2.794 50 1 GFGF C=C1CC(=O)[C@H]2C(C)(C)[C@@H](Cl)CC[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O 38345890 DHBKZHLIAPOHDP-XWFOUZAQSA-N 381.900 2.595 50 1 GFGF CC[C@]1(c2cc(B(O)O)ccc2F)NCCc2cccc(-c3ccccc3)c21 962666586 KSKLMTRHAFSLAC-HSZRJFAPSA-N 375.252 2.972 50 1 GFGF CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1coc2ccc(C)cc2c1=O 71341681 BZIMEPRZKPHULE-OAHLLOKOSA-N 376.796 2.511 50 1 GFGF C[C@H](Br)C(=O)Nc1cccc(C(=O)NC(=O)Nc2ccccn2)c1 40936326 COFDRCHYYAIJCR-JTQLQIEISA-N 391.225 2.765 50 1 GFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(CC(N)=O)c1C)O2 587370546 ABVVULSBVZXQSQ-IBGZPJMESA-N 375.856 2.580 50 1 GFGF COc1cc2c(cc1OC)[C@@]1(C(C=O)=C(N)Oc3ccc(C)cc31)N(C)[C@@H](C)C2 962576312 TVQQHVQPMFHWEW-LFVRLGFBSA-N 394.471 2.894 50 1 GFGF CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1coc2ccc(C)cc2c1=O 71341682 BZIMEPRZKPHULE-HNNXBMFYSA-N 376.796 2.511 50 1 GFGF CCOc1cc(/C(=C/C#N)c2ccc(OC)c(NC(=O)CN)c2)ccc1OC 84541540 GPCUOIGHARZLFS-CXUHLZMHSA-N 381.432 2.955 50 1 GFGF CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Br)cc2O)cc1 1857621272 YYKXYLILVSHHNS-GIJQJNRQSA-N 376.210 2.877 50 1 GFGF CCCc1c(O)ccc2c1O[C@](C1CC1)([C@@H](Cl)C(=O)C(=O)OC)CC2=O 587460284 SNAMLBIVUNJYIR-PKOBYXMFSA-N 380.824 2.808 50 1 GFGF CC1(C)[C@H](Cl)C[C@@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1ccccc14 2356783701 LZMXJWKYISEJLS-NRSSNHDFSA-N 382.851 2.944 50 1 GFGF CN(C)C(=O)[C@H](Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544884 PLNACAMFIIBTRQ-LJHODMEESA-N 375.808 2.808 50 1 GFGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1O 103206138 LZKUUIVMBCNVGK-HIFRSBDPSA-N 376.199 2.893 50 1 GFGF NSOOc1ccc(-n2nc(C(N)=O)c3c2-c2cc(F)ccc2OC3)cc1 137749985 KZPDTYVBHDGHGL-UHFFFAOYSA-N 388.380 2.502 50 1 GFGF COc1cccc([C@@H]2[C@@H]3CN(C)CCC3=C(C#N)C(=N)C2(C#N)C#N)c1OC 169688623 KVYLDCYWHKKLKO-SJLPKXTDSA-N 375.432 2.626 50 1 GFGF Cc1c(Br)cc2nc(CCNC(=O)CBr)[nH]c2c1C 586970419 AIHFXVFKBBAPFE-UHFFFAOYSA-N 389.091 2.996 50 1 GFGF COc1cccc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)c1 473152847 WAWCUDBSHSVNDM-UHFFFAOYSA-N 384.841 2.823 50 1 GFGF O=C(CBr)NCCc1nc2ccc(Br)c(F)c2[nH]1 586970754 FXRZNDHYMQGZJZ-UHFFFAOYSA-N 379.027 2.518 50 1 GFGF CC(=O)Nc1cc([C@@]2(CCl)NCCc3c2c(C(C)C)nn3C)ccc1O 962925550 ZKGMIOFSULGIEQ-LJQANCHMSA-N 376.888 2.836 50 1 GFGF O=C(OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@@H]21)c1ccc(Oc2ccccc2)cc1 42764342 BBZIROIBVJBMBL-QWQQUQAHSA-N 394.379 2.739 50 1 GFGF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21 1857533749 NFBUCIKIRFTJEO-GOSISDBHSA-N 398.430 2.616 50 1 GFGF COc1cc2c(cc1OC)[C@]1(C(C=O)=C(N)Oc3ccc(C)cc31)N(C)[C@H](C)C2 962576307 TVQQHVQPMFHWEW-FATZIPQQSA-N 394.471 2.894 50 1 GFGF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C[C@H](CCl)[C@]43C)[C@H]1CC[C@]2(O)C(=O)O 253848742 BBGSHFCBCBCOLV-ZCDKNUHPSA-N 396.911 2.770 50 1 GFGF CC(C)(N)CNC(=O)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49694672 IYOREUUHKUICSE-UHFFFAOYSA-N 378.513 2.857 50 1 GFGF C=C(CCCC(C)=O)[C@H](C(=O)O)[C@@H](CC(=O)O)C(C=O)=CC=CC(C)(C)O 2356603345 HBNZJZYVOVJXQT-WMZOPIPTSA-N 380.437 2.546 50 1 GFGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C(=O)O 587539656 XFEOPOOFDSIRJW-BLLLJJGKSA-N 379.162 2.572 50 1 GFGF CC[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2[C@@H](C=O)/C1=C(/C=O)C(=O)O 238760137 BZCUJLGQIQXOMA-LXDKSJLPSA-N 396.443 2.511 50 1 GFGF Cc1nc2ccccc2cc1C(=O)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21 1911582243 QDIDBCKXBVDMKF-UHFFFAOYSA-N 375.344 2.538 50 1 GFGF CC(C)c1csc2nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c12 28133966 MADJVUAGUXJMRZ-UHFFFAOYSA-N 392.481 2.792 50 1 GFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 105536374 FIHJKUPKCHIPAT-JSYPEPMFSA-N 384.425 2.602 50 1 GFGF Cc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 35950763 SHPBKXRTJSRXOJ-UHFFFAOYSA-N 381.344 2.944 50 1 GFGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc4[nH]cnc4cc32)cc(OC)c1OC 1857654196 LQOYBJHBWVZMDY-GOSISDBHSA-N 378.388 2.807 50 1 GFGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])cc1 473151260 OROUEXWFVGHSMK-UHFFFAOYSA-N 399.812 2.723 50 1 GFGF C[C@H](C(=O)N/N=C/c1ccco1)N1C(=O)c2ccccc2N[C@H]1c1ccco1 1772616675 FZWBZYXKXOXVKU-AKGPNCCESA-N 378.388 2.978 50 1 GFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 110422143 FIHJKUPKCHIPAT-JGGVOUFKSA-N 384.425 2.602 50 1 GFGF CO[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H](C)/C1=C/C(=O)N1CCOCC1 194851357 JSAALSDJMUMCPF-SKXXLZALSA-N 385.577 2.943 50 1 GFGF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1OC(=O)Nc1cccc(N=C=S)c1)N2C 26378408 LPOMDZXSJNUSGX-QXSJWSMHSA-N 375.450 2.994 50 1 GFGF COc1ccc(C(=O)NCCCSSCCN(C)C)c(OC)c1OC 618008471 HDHTXMFNOQIZJK-UHFFFAOYSA-N 388.555 2.775 50 1 GFGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(=O)O)N1 587672927 IYBIUWUOQURLGT-QTTZVWFDSA-N 381.039 2.797 50 1 GFGF N#C/C(=C\c1ccccc1)C(=O)NCCCNC(=O)/C(C#N)=C/c1ccccc1 13676693 UZTYPWHHDBQJCJ-OZNQKUEASA-N 384.439 2.823 50 1 GFGF N#CC1=C([C-](C#N)C#N)N[C@](O)(C2CC2)[C@H]([n+]2ccccc2)[C@H]1c1ccccc1F 101751074 DBMPXHGIQYCLJL-WWNPGLIZSA-N 399.429 2.539 50 1 GFGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOCc4oc(C)c[n+]4C)[C@]13OO2 100863970 YXGWMXFYVIALFC-QVHQYWGISA-N 382.477 2.935 50 1 GFGF CC1(C)C2=C(O[C@@H]1CI)C(=O)c1c(O)cccc1C2=O 49070659 MXSCKQOKGKLBPY-SECBINFHSA-N 384.169 2.885 50 1 GFGF NNC(=O)c1cccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587656209 HPCGRCMKKYIGKA-UHFFFAOYSA-N 392.365 2.934 50 1 GFGF COC(=O)[C@H]1CO[P@](=O)(N(CCCl)CCCl)N1Cc1ccccc1 29335265 AQHZXPNYOURTJM-JBEBIEQOSA-N 395.223 2.948 50 1 GFGF O=C(CCCc1nc(O)c2ccccc2n1)N/N=C/c1ccc([N+](=O)[O-])cc1 299860115 ZXTIIMYGUFUZPJ-UDWIEESQSA-N 379.376 2.717 50 1 GFGF COc1ccc([C@H]2[C@@H](O)/C(=C3/C=Nc4ccccc43)NN2C(=O)CCl)cc1 100478293 LCNAFBYADVLVMQ-SEHLHDJSSA-N 383.835 2.810 50 3 GFGF N#CC(=C1CCN(CCn2nc3n(c2=O)CCCC3)CC1)c1ccc(F)cc1 13447919 GYKSESGFSLRAGE-UHFFFAOYSA-N 381.455 2.593 50 1 GFGF CCOC(=O)[C@]1([C@@H](Cl)C(C)=O)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962573571 SNWIPDNEIPSULT-WOVYWWTOSA-N 383.872 2.535 50 1 GFGF O=C1O[C@@H]2C[C@](O)(CCl)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@@H]3CCCC1=C23 13386025 XSCIYDYMKUSXCT-FVCITADKSA-N 378.808 2.650 50 1 GFGF biogenic CC(C)(NC(=O)CCl)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587009295 ZOQJWGVUDISEFK-UHFFFAOYSA-N 375.610 2.824 50 1 GFGF COC1=C[C@@H](OC)C(C=O)=C(c2c(C)cc(OC)c(OC)c2OC)[C@@H]1OC 40891593 WGBVRPRGSQVIMC-FZKQIMNGSA-N 378.421 2.547 50 1 GFGF COc1ccc(S(=O)(=O)N(N)C(=O)c2ccc(Cl)cc2Cl)s1 28346525 BLGLUNDTODTZRH-UHFFFAOYSA-N 381.262 2.768 50 1 GFGF O=C(N/N=C/c1ccccc1O)Nc1nc2ccc(N3CCOCC3)cc2s1 299830178 NMRHSVANRFHRSH-UDWIEESQSA-N 397.460 2.994 50 1 GFGF CC(=O)O[C@H]1CCCN(Cc2ccc(C(=O)N/N=C/c3ccc(N)cc3)cc2)C1 1857631945 XFPGOWNFHVFXMZ-UQQIOGDDSA-N 394.475 2.560 50 1 GFGF O=C(CN(CCc1ccccc1)P(=O)(c1ccccc1)c1ccccc1)NO 34801768 OWBJNSLROHEGOK-UHFFFAOYSA-N 394.411 2.966 50 1 GFGF CC(=O)NCCc1ccc([C@@]2(CCl)NCCc3c(C)ccnc32)cc1F 963070919 HZFLEJAXYXPKRM-HXUWFJFHSA-N 375.875 2.836 50 1 GFGF C=C(C(=O)C=CC(C)(C)OO)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@@H]1OC(=O)CC(C)C 2356565576 CXTWIKYEDQZGIF-UXYNSRGZSA-N 380.437 2.641 50 1 GFGF COC(=O)C1=C(C(=O)OC)[C@H]2C(C)=CC(C)=CN2C(C#N)=C(SC)S1 5757601 DVWDYKVYNANMIK-CYBMUJFWSA-N 378.475 2.923 50 1 GFGF C=C(C(=O)C=CC(C)(C)OO)[C@@H]1C[C@@H]2O[C@@]2(C)C(=O)[C@H]1OC(=O)CC(C)C 2356565575 CXTWIKYEDQZGIF-NUADTHGBSA-N 380.437 2.641 50 1 GFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C(=O)CBr)O2 587373574 MEGDJYYKYQAFGL-CYBMUJFWSA-N 391.059 2.640 50 1 GFGF Nc1nc(-c2ccc(OCCCl)cc2)cn2c(=O)n(-c3ccccc3)nc12 1911573308 OIMCHLKQSFSGLC-UHFFFAOYSA-N 381.823 2.747 50 1 GFGF NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 13439016 CUVDOGAGFNNORD-AUEPDCJTSA-N 397.818 2.827 50 1 GFGF CCCc1c(O)ccc2c1O[C@@](C1CC1)([C@@H](Cl)C(=O)C(=O)OC)CC2=O 587460259 SNAMLBIVUNJYIR-HKUYNNGSSA-N 380.824 2.808 50 1 GFGF CCOP(=O)(OCC)OCCN[P@]1(=O)OCCCN1CCCl 26383681 DHUPDWJPNWCGEU-NRFANRHFSA-N 378.730 2.843 50 1 GFGF COC(=O)/C=C(\CC[C@@H]1C(C=O)=C[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]12C)COC=O 238751448 WNGUATLTENRAIQ-SKXIGEDUSA-N 392.492 2.988 50 1 GFGF CC(C)c1nn(C)c2c1[C@@](CBr)(c1cnc(Cl)nc1)NCC2 962915292 HFHFOLORGXUPJP-OAHLLOKOSA-N 384.709 2.771 50 1 GFGF NNC(=O)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 586901721 ZGLYIAHXWJITCZ-UHFFFAOYSA-N 376.372 2.818 50 1 GFGF COc1nc2ccc(C)cc2cc1[C@@H]1[C@@H](Cl)C(=O)N1NC(=O)c1ccncc1 1772602834 HMDMZJNOHGAJIW-IAGOWNOFSA-N 396.834 2.783 50 1 GFGF CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)CCCCC(=O)NO)c1 95809061 QMZNWGVPGRKUAX-XDHOZWIPSA-N 378.429 2.550 50 1 GFGF C[C@H]1CC(C)(C)N[C@H](CCO[P@@](N)(=O)N(CCCl)CCCl)O1 26826318 YQMIAZVMXFJZGK-YEZLUTFDSA-N 376.265 2.743 50 1 GFGF CC1(C)CC(N[P@](=O)(O)N(CCCl)CCCl)CC(C)(C)N1O 43322464 JYYSDVDWBOFTMV-UHFFFAOYSA-N 376.265 2.867 50 1 GFGF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C(=O)C=C[C@]([C@H](C)Cl)(C1)[C@@H]23 2356407469 ZRGCDYXIJZMJLU-FEKGSYAUSA-N 384.863 2.965 50 1 GFGF COC(=O)C(=O)[C@H](Cl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587686958 DSSZAUZXROTYJD-OUNZRGQNSA-N 392.652 2.687 50 1 GFGF C=C(CCCC(C)=O)[C@@H](C(=O)O)[C@@H](CC(=O)O)C(C=O)=CC=CC(C)(C)O 2356603343 HBNZJZYVOVJXQT-FUHWJXTLSA-N 380.437 2.546 50 1 GFGF [C-]#[N+]C1(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(=N)N4)n2)CCC1 1772587961 GNLIOIAABVJYGX-DINDLPBHSA-N 391.522 2.815 50 1 GFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN3CCOCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 44118565 BYMNFJKAXZHAJK-RCQQOWRMSA-N 397.512 2.543 50 1 GFGF COc1cc(-c2[nH]nc3c2[C@H](c2ccco2)C(C#N)=C(N)O3)cc(OC)c1OC 8565994 WCWOLFUPUYKPNQ-HNNXBMFYSA-N 394.387 2.914 50 3 GFGF CCCOc1cc(B(O)O)cc([C@@H]2c3ccsc3CCN2Cc2ccco2)c1 962700136 BTYSAEIQENVHGA-OAQYLSRUSA-N 397.305 2.957 50 1 GFGF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)OCCl 34206011 GYZBEEMAEDGMPO-MXRBDKCISA-N 396.911 2.960 50 1 GFGF O=C(c1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1)N(CCCl)CCCl 98083343 OEGWBDLCDBEYBO-UHFFFAOYSA-N 383.255 2.850 50 1 GFGF CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@H]2[C@H](C=O)C1=C(C=O)C(=O)O 2356481863 BZCUJLGQIQXOMA-MTNMJMNLSA-N 396.443 2.511 50 1 GFGF CC[C@@H](C)[C@H](NC(=O)c1ccc(OC)cc1)C(=O)N/N=C/c1ccc(O)cc1 45338557 GLJZMTINBAVPQD-UMGZNDIESA-N 383.448 2.696 50 1 GFGF COC(=O)[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673830 QOTZPFPNGGOAJJ-WPPNPWJKSA-N 395.066 2.886 50 1 GFGF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C(=O)C=C[C@@]([C@@H](C)Cl)(C1)[C@H]23 200016108 ZRGCDYXIJZMJLU-DDEZQWHHSA-N 384.863 2.965 50 1 GFGF CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]4(C)CCC[C@](C)(C(=O)O)[C@H]4CC(=O)[C@@]13C=C2C=O 2356787048 TVVDACSGHQEHDA-CGFXVHOVSA-N 388.460 2.940 50 1 GFGF O=C(CBr)NCCc1nc2cc(F)cc(Br)c2[nH]1 586970492 BTMNMQKXDYCUEY-UHFFFAOYSA-N 379.027 2.518 50 1 GFGF N[C@@H](Cc1cc(N/C(=C/C=O)CCCc2ccccc2)c(O)cc1O)C(=O)O 58660590 HHNJWLBRCQJYIP-NDCSFFLDSA-N 384.432 2.570 50 1 GFGF in-vitro CC(=N)Nc1cccc(C(=O)NNC(=O)C[C@@H](CC(=O)O)c2ccccc2)c1 13862967 JXVSJECJQNIGDS-INIZCTEOSA-N 382.420 2.505 50 1 GFGF COC(=O)C(=O)[C@H](Cl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587687375 GJQKIYLOEFDLCW-OUNZRGQNSA-N 392.652 2.687 50 1 GFGF C=CCOC(=O)N[C@@H](c1ccc(F)c(F)c1)[C@@H](C(=O)CCl)C(=O)OC 8689825 ORWDTNZMDJHHLX-KGLIPLIRSA-N 375.755 2.515 50 1 GFGF C/C(=N\NC(N)=O)c1ccc2ncc(Cc3c(F)cc4ncccc4c3F)n2n1 68248454 RPSDNGJPBQUTLC-KIBLKLHPSA-N 395.373 2.539 50 1 GFGF C[C@@H]1CC[C@H]2[C@@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](OCC(F)(F)F)[C@]2(C)O 58597036 LDFCALDHKZTKRF-HBNQAYCCSA-N 382.375 2.888 50 1 GFGF CCOC(=O)C(C)(C)[C@]1(CBr)NCCc2nc3ccccn3c21 962985813 HGAJGTILVBLERE-QGZVFWFLSA-N 380.286 2.660 50 1 GFGF O=c1nc2oc(CCCCl)cc2cn1Cc1cn(-c2ccccc2F)nn1 1772625067 QPTXBXXQBGCXIL-UHFFFAOYSA-N 387.802 2.929 50 1 GFGF COC(=O)[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587672422 FUWOTIPROQEJNO-CPFSXVBKSA-N 395.066 2.886 50 1 GFGF CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)CI 169332422 DKYMRAKSIWFPNE-UHFFFAOYSA-N 390.221 2.890 50 1 GFGF NCC[C@@H](C(=O)N/N=C/c1ccc(O)c(Br)c1)c1ccccc1 95920824 KNVUNNKRDYNEOP-XLTHYULKSA-N 376.254 2.737 50 1 GFGF in-vitro O=C1C(=O)[C@H](Cl)[C@]2(C(=O)[C@@H]1Cl)c1ccsc1CCN2Cc1ccco1 962714035 YABDUOZOIHEWQL-PVUWLOKVSA-N 398.267 2.530 50 1 GFGF Cc1cc2c(cc1O)[C@@](C#C[Si](C)(C)C)(CBr)N[C@H](C(=O)O)C2 963522106 DYGSRPSDIYUPQO-WMLDXEAASA-N 396.357 2.771 50 1 GFGF Br[C@H](Cn1ncc2c(N3CCOCC3)ncnc21)c1ccccc1 28569633 GAXKBWOVSXXRGE-OAHLLOKOSA-N 388.269 2.799 50 1 GFGF C[C@]12OC[C@@H]3OC(=O)[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC=C([C@H](OO)O1)[C@@H]32 2356565201 RUHYVNDSXWCFOW-KHILDZGMSA-N 392.448 2.550 50 1 GFGF OC[C@H]1[C@@H]2C[C@H](n3cnc4c(NCc5ccncc5)ncnc43)[C@H]1C[C@@H]2Cl 473124166 WKOQSHYNASHDAP-QXKUPLGCSA-N 384.871 2.630 50 1 GFGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 49627238 FIHJKUPKCHIPAT-MKAHCCAASA-N 384.425 2.602 50 1 GFGF COc1nc2ccc(C)cc2cc1[C@@H]1[C@H](Cl)C(=O)N1NC(=O)c1ccncc1 1772602833 HMDMZJNOHGAJIW-DLBZAZTESA-N 396.834 2.783 50 1 GFGF COC(=O)C(C)(C)C[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103198843 OTMGUSOFKGHDIA-PRIPUWFBSA-N 382.453 2.964 50 1 GFGF OB(O)c1cc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc(C(F)(F)F)c1 963117924 ZQEJEXNIUIPIHB-AEFFLSMTSA-N 379.162 2.634 50 1 GFGF COc1cccc(/C=N\NC(=O)c2cc3c(OC)c(OC)ccc3[nH]2)c1OC 15979049 RKSQGNNQXZLBHE-NHDPSOOVSA-N 383.404 2.966 50 1 GFGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(O)ccc1O 95808893 JBYOKMADNFOMEM-FYJGNVAPSA-N 385.420 2.843 50 1 GFGF O=C(OCc1ccc(B(O)O)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 195380872 XMNAJVIKRIHUEQ-UHFFFAOYSA-N 392.060 2.761 50 1 GFGF CC(C)(C)C1=CS/C(=C(\C#N)c2ccnc(NC(=O)C3CCNCC3)n2)N1 64453455 RCLIEXCEZAWDHL-GHRIWEEISA-N 384.509 2.831 50 1 GFGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(=O)O)N1 587672928 IYBIUWUOQURLGT-SREIQFSDSA-N 381.039 2.797 50 1 GFGF COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(CCC(C)C)c32)cc([N+](=O)[O-])c1O 1857773231 SPXMFFJUYBZQEI-HNNXBMFYSA-N 399.407 2.839 50 1 GFGF CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C[C@H](Cl)[C@@H]1O)[C@H]42 2356631124 QBOYKQULRKMTBV-BTSRZBPPSA-N 388.895 2.633 50 1 GFGF COC(=O)[C@]1([C@H](Cl)C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688778 OCSBVHMJAGDHFL-UCJNBOFNSA-N 392.652 2.687 50 1 GFGF CSC1=NN=C2[C@@H]3CC[C@@H](C)[C@H]4CC[C@@]5(C)OO[C@@]34[C@H](O[C@]2(O)S1)O5 43815881 PPJVCDVGFDIZQY-ZHHAKGNXSA-N 386.495 2.700 50 1 GFGF O=C(N/N=C/c1cccs1)c1nnc(O)c2c1cnn2-c1ccc(Cl)cc1 1772641604 XUKYRVDWCFZQGT-UFWORHAWSA-N 398.835 3.000 50 1 GFGF Cc1cc(OCC2CC2)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1 1857621725 NAMQPGRPBJYCKX-UHFFFAOYSA-N 378.425 2.546 50 1 GFGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCCN3CCOCC3)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 44118549 BYMNFJKAXZHAJK-BPASCOCISA-N 397.512 2.543 50 1 GFGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3C[C@H](C)C[C@H]3C=C(C=O)[C@@]12O 2356530050 AWWSRRPFKHBPKA-GNJMBYCFSA-N 386.444 2.874 50 1 GFGF COc1ccccc1OCC(=O)OC/C(O)=C(\C#N)c1nc2ccccc2[nH]1 101719662 AMPYNVBNFUUGMR-SSZFMOIBSA-N 379.372 2.986 50 1 GFGF aggregator O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](CBr)(c2ccncc2)N1 963237781 UNZKQWAZWDSEPB-HKUYNNGSSA-N 398.260 2.867 50 1 GFGF C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCCSSCCN(C)C 618012434 FJWPWSOAZPYECW-HNNXBMFYSA-N 399.582 2.751 50 1 GFGF CC1(C)C2=C(O[C@@H]1CI)c1c(O)cccc1C(=O)C2=O 169312055 AXRFTCBSAQXVKT-SECBINFHSA-N 384.169 2.729 50 1 GFGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CNC(C)=O)o1)[C@@H](C2)C3=O 587420067 GGARTTYZBIREMX-IFXJQAMLSA-N 375.808 2.806 50 1 GFGF CCCOc1ccc(CN/C(SC)=C(\C#N)C(=O)OCCOCC)cn1 103186355 POOZOUOMGARTGS-ICFOKQHNSA-N 379.482 2.638 50 1 GFGF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C(=O)NN)ccn1 587863416 ZZAHJUNBTFKTIZ-UHFFFAOYSA-N 377.326 2.565 50 1 GFGF C=C(C(=O)C=CC(C)(C)OO)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)C(C)=CC 2356628338 PEGXVZZSSUDMLX-PEMDQYIBSA-N 378.421 2.561 50 1 GFGF C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](C)c3cc4cccnc4cc3F)n2n1 96169141 SPWGLFJIRYKTIY-PCUPTFNLSA-N 391.410 2.961 50 1 GFGF CSc1ccccc1/C=N/NC(=O)CN1CCN(Cc2ccccc2)CC1 45299926 VJEUOQVSYJETLI-PXLXIMEGSA-N 382.533 2.676 50 1 GFGF CC1=C(CCCNC(=O)NCCCl)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1 45286568 ZJHIJTAFUDVLRE-IBGZPJMESA-N 378.900 2.992 50 1 GFGF CC(C)(C)N/C(=C(/C#N)C(=O)c1cscn1)c1cc(O)c(O)c([N+](=O)[O-])c1 1857582932 SYMNNTIHDQMRDF-UVTDQMKNSA-N 388.405 2.968 50 1 GFGF COc1cc(OC)c2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(OC)c2c(c1)OCO2 40540410 OOOYXQTXWCAQLS-KRWDZBQOSA-N 382.372 2.659 50 1 GFGF CCCCC[C@@H](O)CC(=O)C[C@H]1C2=COC(C)=CC2=C(C=O)C(=O)[C@]1(C)O 1857764889 FCSCAGWJQQVIQQ-XWRIVVANSA-N 376.449 2.540 50 1 GFGF COc1cc(CO[P@@](N)(=O)N(CCCl)CCCl)ccc1[N+](=O)[O-] 64540576 YLFVVBLOJWWNQX-HSZRJFAPSA-N 386.172 2.966 50 1 GFGF CC(C)=CC[C@@H]1C(=O)C(C(=O)C(C)C)=C(O)[C@@]1(O)C(=O)/C=C/C(C)(C)OO 1642676401 BSHBTLJFSZGLLX-HNDNADPKSA-N 380.437 2.703 50 1 GFGF CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(OC(C)C)s1)SC 103218173 BBOPIAKKFZSGEJ-BUHFOSPRSA-N 385.511 2.698 50 1 GFGF COC(=O)[C@@H]1CO[P@@](=O)(N(CCCl)CCCl)N1Cc1ccccc1 29335255 AQHZXPNYOURTJM-BSEYFRJRSA-N 395.223 2.948 50 1 GFGF O=C(NNC(=O)[C@H]1C[C@H]1c1ccc(OCC(F)(F)F)cc1)c1ccncc1 49112364 IXXCJZGWWYWSNC-GJZGRUSLSA-N 379.338 2.587 50 1 GFGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C(=O)O 587539659 XFEOPOOFDSIRJW-WBMJQRKESA-N 379.162 2.572 50 1 GFGF O=C1CNC(=O)N1CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49746377 YTBRKMPHWYVPJI-UHFFFAOYSA-N 376.453 2.556 50 1 GFGF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C(=O)C=C[C@@]([C@H](C)Cl)(C1)[C@H]23 200016075 ZRGCDYXIJZMJLU-XSGSXHBCSA-N 384.863 2.965 50 1 GFGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CCC(N)=O)cc1)[C@@H](C2)C3=O 587419820 ZTSTXULVJKZDKP-KKSFZXQISA-N 385.847 2.995 50 1 GFGF CN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O 587333041 UVQGYTAKNVMAOM-VDZJLULYSA-N 388.782 2.694 50 1 GFGF COc1cc2c(cc1OC)[C@@H](c1cc(OC)c3c(c1)OCO3)C(C#N)=C(N)O2 40747347 VXBHAZYLKCBWMI-GOSISDBHSA-N 382.372 2.659 50 1 GFGF CCOc1ccc2c(c1)[C@@]1(N[C@H](C(=O)O)Cc3cccc(F)c31)C(C=O)=CO2 962901644 RJAUQRFYSQYFOZ-UWJYYQICSA-N 383.375 2.542 50 1 GFGF O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCCSCCCl)c(S(=O)(=O)O)c1 169343346 PBFYMDKXQHNMLX-UHFFFAOYSA-N 399.834 2.524 50 1 GFGF N#CC1=C(N)[C@@H]2[C@@H](CC1=N)Oc1ccc(Br)cc1[C@@H]2C(C#N)C#N 169718722 SZGOYXNOXDRKCQ-OWCLPIDISA-N 382.221 2.733 50 1 GFGF COc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-c2ccco2)c1 1857563817 ZENPDXNHNLELMW-UHFFFAOYSA-N 390.392 2.718 50 1 GFGF CC(C)(C)OC(=O)N1CC[C@@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)[C@H](Cl)C1 962761892 HSQRTJQLUDTIGT-KHYOSLBOSA-N 398.862 2.868 50 1 GFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Sc3nnnn3C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 1857559818 RJALRYIMVKEXQM-KCWGOGOYSA-N 382.486 2.510 50 1 GFGF CC(=O)Nc1cc([C@]2(CCl)NC[C@@H]3CC(=O)N(C)c4cccc2c43)ccc1O 963015859 ASGHRPMJBCQNAO-ZSEKCTLFSA-N 399.878 2.886 50 1 GFGF CN(C)c1ccc(/C=N/NC(=O)[C@H](O)c2ccc(Br)cc2)cc1 1021106 VCYRHVNPKLXAON-YDDPGSGASA-N 376.254 2.699 50 3 GFGF COC(=O)[C@]1([C@@H](Cl)C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688776 OCSBVHMJAGDHFL-JNUYDFPXSA-N 392.652 2.687 50 1 GFGF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1OC(=O)Nc1cccc(N=C=S)c1)N2C 26378411 LPOMDZXSJNUSGX-QKPAOTATSA-N 375.450 2.994 50 1 GFGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O[C@@H](C)C(=O)NN)cc1)CC2=O 587471395 RQRXBDJFOHKEEP-XMHCIUCPSA-N 398.459 2.983 50 1 GFGF N#C/C(=C/c1ccccc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587189187 ZDSGTRHMRXKUMM-VBKFSLOCSA-N 394.456 2.648 50 1 GFGF CC1(C)C[C@H](NC(=O)NP(=O)([N@@]2CC2(C)C)[N@@]2CC2(C)C)C(C)(C)N1[O] 1857621911 AAQWQQHATJQPFW-ALHNEKMOSA-N 386.457 2.559 50 1 GFGF Cc1c(CC(=O)NN)c2cc(OCCCC(=O)O)ccc2n1Cc1ccccc1 13446193 FQIIZRKLWZKNMD-UHFFFAOYSA-N 395.459 2.774 50 1 GFGF C=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1OC(C)=O)[C@@]1(C)C(C=O)=CCC[C@H]1C 2356610130 VESURABEAQPDNY-KAZLVLGVSA-N 390.432 2.798 50 1 GFGF CCOc1nc(/N=N/N(C)C(=O)Oc2ccc([N+](=O)[O-])cc2)nc2[nH]cnc12 1772602886 QRVONWXDRUYLNE-QZQOTICOSA-N 386.328 2.789 50 1 GFGF C=C(C=O)[C@]12C=C3C(=O)C[C@@H](C(C)C)[C@]3(C)C[C@H](OC(C)=O)[C@@]1(C)CC(=O)O2 137862746 VKBUNHQDYSZEBH-IKRQRYTESA-N 388.460 2.947 50 1 GFGF CN(C)CCSSCCNC(=O)C1=C(Cl)N[C@H](C(F)(F)F)C=C1 618011827 ZNMKCJFIACQCPF-JTQLQIEISA-N 389.896 2.586 50 1 GFGF O=C(CCn1sc2ccccc2c1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 299838341 UQJCHNSEYZBHFO-UHFFFAOYSA-N 399.516 2.817 50 1 GFGF CCOC(=O)N1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](Br)C1 587373767 SGLVROFHJQUHNE-PBHICJAKSA-N 397.269 2.907 50 1 GFGF Cc1nn(-c2ccccc2)c2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(=O)NN)c12 28639848 DWHCZEJAJNXQKX-UHFFFAOYSA-N 388.387 2.908 50 1 GFGF N#C/C(=C\c1ccccc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587189186 ZDSGTRHMRXKUMM-FOWTUZBSSA-N 394.456 2.648 50 1 GFGF O=C(N/N=C/c1ccc(O)cc1)c1nc(-c2ccc(Br)cc2)no1 45366893 ZEVCWNUAUMTSCC-GIJQJNRQSA-N 387.193 2.969 50 1 GFGF CC(C)(NC(=O)CCl)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587007580 GJCHYXIYKWRQKL-UHFFFAOYSA-N 375.610 2.824 50 1 GFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@H](C#N)C(=O)NCc1ccccc1)O2 587372427 LFJXVSUSFJBAIO-IIBYNOLFSA-N 397.862 2.976 50 1 GFGF COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCCO3)cc(OC)c1OC 1772608875 OMQKKNSIRMMWBJ-CIAFOILYSA-N 386.404 2.638 50 1 GFGF NNC(=O)CCCCCCCCC(=O)n1ncc2ccc(Cl)cc2c1=O 587652194 OGJZQKYANALVMJ-UHFFFAOYSA-N 378.860 2.801 50 1 GFGF NNC(=O)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587127202 OJGSXZFAJYBYEB-UHFFFAOYSA-N 376.298 2.608 50 1 GFGF O=CC1=COc2ccc(F)cc2[C@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963224232 IJBYUUYYYGOWGN-SIKLNZKXSA-N 390.370 2.692 50 1 GFGF CCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 299826201 FPZMOWOQZYQENR-LZLYRXPVSA-N 392.297 2.941 50 1 GFGF CC1=C(C#N)[C@@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C(=O)N1 4124723 WPGRZPNHNHSJPI-ZDUSSCGKSA-N 377.244 2.664 50 1 GFGF NC(=O)c1cccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c12 587009409 DRJHSMDFZVFQSS-INIZCTEOSA-N 395.850 2.782 50 1 GFGF CC(C)(C)OC(=O)N1CC[C@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)[C@@H](Cl)C1 962761894 HSQRTJQLUDTIGT-YZVOILCLSA-N 398.862 2.868 50 1 GFGF O=C(/C=C1/Nc2cc(Cl)c(Cl)cc2NC1=O)N/N=C/c1ccccn1 1857561658 SINIULKNJQVAQB-BOQZEXEDSA-N 376.203 2.787 50 1 GFGF CCOC(=O)C1=C(C)NC(=O)N(P2(=O)NCCCCN2)[C@@H]1c1ccccc1 84729184 KMEMUFSAVUOUMA-MRXNPFEDSA-N 392.396 2.671 50 1 GFGF CC[C@@]1(c2cc(B(O)O)ccc2F)NCCc2cccc(-c3ccccc3)c21 962666589 KSKLMTRHAFSLAC-QHCPKHFHSA-N 375.252 2.972 50 1 GFGF O=c1nc2oc(CCCCl)cc2cn1Cc1cn(-c2ccc(F)cc2)nn1 1772607745 GZPUCDWMYCVACY-UHFFFAOYSA-N 387.802 2.929 50 1 GFGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(=O)O)N1 587672795 HZCCJNTUXDQXPW-INWYIAFRSA-N 381.039 2.797 50 1 GFGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3C[C@H](C)C[C@@H]3C=C(C=O)[C@]12O 2356530052 AWWSRRPFKHBPKA-KFYNVEEBSA-N 386.444 2.874 50 1 GFGF CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C[C@H](Cl)[C@@H]1O)[C@@H]42 2356631126 QBOYKQULRKMTBV-UBFQGWSASA-N 388.895 2.633 50 1 GFGF O=[N+]([O-])c1cc([N+](=O)[O-])c(N[C]2SN=NN2CCCl)c([N+](=O)[O-])c1 2356872608 LAJANMIRZHZGFU-UHFFFAOYSA-N 376.718 2.840 50 1 GFGF CC(=O)C[C@H]1O[C@@H]2[C@H]3[C@@H](C[C@@H](C)[C@@H](OC(C)=O)[C@H]31)[C@@H](C)CO[C@@]2(C)/C=C/C=O 238748657 IZBLVPXRSYOQND-XXNDOYEMSA-N 392.492 2.733 50 1 GFGF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(/C=N/NC(=O)c2ccccc2)cc1 473099507 FXOGPUSVHYCJTG-LPYMAVHISA-N 393.403 2.943 50 1 GFGF Cc1cc(-c2ccccn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F 1857561790 MWANLGMUCLJUNG-UHFFFAOYSA-N 385.420 2.819 50 1 GFGF COC(=O)[C@@H]1[C@@H](OC(=O)Nc2ccc(N=C=S)cc2)C[C@H]2CC[C@@H]1N2C 26296895 QZFRFIDBOHIVBW-UGUYLWEFSA-N 375.450 2.994 50 1 GFGF COc1ccccc1SCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 72110394 SYGUJPMJNZARIW-RGVLZGJSSA-N 390.461 2.963 50 1 GFGF N#CC(C#N)=C1N(CCCN2CCCCC2)CCN1CCCN1CCCCC1 36289095 PZBOEBLXMXAJNX-UHFFFAOYSA-N 384.572 2.615 50 1 GFGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3cnn(CCCl)c3)N12 962670948 RIIJNSQSWWFFNX-PXNSSMCTSA-N 384.867 2.858 50 1 GFGF CC(C)=CC[C@H]1C(=O)C(C(=O)C(C)C)=C(O)[C@]1(O)C(=O)/C=C/C(C)(C)OO 1642676403 BSHBTLJFSZGLLX-KAEOXXQDSA-N 380.437 2.703 50 1 GFGF CC1(C)[C@@H](Cl)C[C@@]23[C@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1ccccc14 2356783699 LZMXJWKYISEJLS-MGFDPJTISA-N 382.851 2.944 50 1 GFGF C[C@H](C(=O)N/N=C1\C(=O)Nc2ccc(C(=O)O)c(Cl)c21)c1ccc(F)cc1 72180166 CMFOJAOIFFQAPW-QMMMGPOBSA-N 389.770 2.753 50 1 GFGF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)C(C#N)=COc2cc(Cl)ccc21 963492362 QFTPKNMZRJKSQT-JXFKEZNVSA-N 382.803 2.996 50 1 GFGF O=C(CCSCCC(=O)NN=Cc1ccccc1)NN=Cc1ccccc1 17149408 FMVOKYHMOJAAIR-UHFFFAOYSA-N 382.489 2.800 50 3 GFGF COc1cc(OC)c2c(c1)OC(N)=C(C#N)[C@H]2c1cc(OC)c2c(c1)OCO2 40540409 OOOYXQTXWCAQLS-QGZVFWFLSA-N 382.372 2.659 50 1 GFGF CC(C)[C@@H](C(=O)NCCSSCCN(C)C)N1Cc2ccccc2C1=O 618009211 SXQJHZDPOVQZOV-KRWDZBQOSA-N 395.594 2.726 50 1 GFGF O=C(CCl)N[C@@H](Cc1ccco1)C(=O)Nc1cccc(Br)c1 38238812 CNLXCVXTVJMLOT-ZDUSSCGKSA-N 385.645 2.947 50 1 GFGF CN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O 587333027 UVQGYTAKNVMAOM-HHXXYDBFSA-N 388.782 2.694 50 1 GFGF C/C(=N/NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(-n2ccnc2)cc1 34864019 IUXBGOHTQLAKMA-UUYOSTAYSA-N 376.342 2.628 50 1 GFGF COC1=C/C(=C/NNC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)C=C(Br)C1=O 263592048 LZQLJHQICKHTHO-UKWSUGOASA-N 381.270 2.709 50 3 GFGF O=C(O)CCC/C=C/C[C@@H]1[C@H]2CC[C@@H](O2)[C@H]1CNNC(=O)Cc1ccccc1 299808004 IHDLJEAGHHZBRF-ZNIFTXGVSA-N 386.492 2.845 50 1 GFGF CC(=O)N(C)Cc1ccc([C@]2(CCl)NCCc3c(C(=O)O)cccc32)cc1 963153701 WFSZYIDEXOYEMF-NRFANRHFSA-N 386.879 2.991 50 1 GFGF O=C(CCl)Oc1ccc2c(c1)[n+](=O)c1cc(Br)ccc1n2O 377829950 VAYJBIMCMRPPDJ-UHFFFAOYSA-N 384.593 2.853 50 1 GFGF COc1ccc(OC)c(/C=N\NC(=O)c2cc3c(OC)cc(OC)cc3[nH]2)c1 15985431 MVNRBKINADTNIO-NHDPSOOVSA-N 383.404 2.966 50 1 GFGF CC1(C)C2=C(O[C@@H]1CI)c1cccc(O)c1C(=O)C2=O 169312057 QEEGFCSGBLYDFY-SECBINFHSA-N 384.169 2.729 50 1 GFGF COC(C)(C)[C@H](Br)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586971808 ZGRZDYWYXSWNGU-GFCCVEGCSA-N 390.303 2.674 50 1 GFGF COc1ccc(/C=N/NC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)cc1OC 1857747494 FENFAUUWPYFXNQ-LSFURLLWSA-N 385.807 2.963 50 1 GFGF C[C@@H]1CC[C@H]2[C@@](C)(O)[C@H](OCC(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 299818367 LDFCALDHKZTKRF-HYQDDTRVSA-N 382.375 2.888 50 1 GFGF CC1(C)CC(NC(=O)NP(=O)([N@@]2CC2(C)C)[N@@]2CC2(C)C)CC(C)(C)N1 1857536534 XJDRHDRKWPRJBI-GOTSBHOMSA-N 385.493 2.891 50 1 GFGF C[C@H](Cl)C(=O)NC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541513 CDWLJRUWSYIDRK-LLJZQGTPSA-N 375.808 2.856 50 1 GFGF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)([C@H](Cl)C(=O)OCC)CC2=O 587459234 NJVZKYDTMSKKCB-VQIMIIECSA-N 398.839 2.782 50 1 GFGF C[C@@H]1CC[C@H]2C(CNCCN)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103184971 AZJOSPHQSIQDBF-BTDOCVFRSA-N 392.418 2.597 50 1 GFGF COc1cc2c(cc1OC)C1=C(C=O)c3ccc(OC)c(OC)c3[C@H](O)N1CC2 1656692 SFSWKAZCUINXLS-QFIPXVFZSA-N 397.427 2.651 50 1 GFGF C[C@@H](Br)C(=O)Nc1cccc(NC(=O)NC(=O)CCCl)c1 44306291 AKQPBFDXOWOHBY-MRVPVSSYSA-N 376.638 2.686 50 1 GFGF Nc1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2cc1N 587009555 KXGJDTULTIOIMJ-KRWDZBQOSA-N 382.855 2.847 50 1 GFGF C[C@@]1(c2cc(B(O)O)ccc2Cl)c2ccsc2CCN1Cc1ccco1 962702648 FZRASGHENOZCGG-IBGZPJMESA-N 387.697 2.996 50 1 GFGF CC1=NN(c2ccc(C(=O)NCCCSSCCN(C)C)cc2)C(=O)C1 618008347 YQTXPSODUITNOT-UHFFFAOYSA-N 394.566 2.862 50 1 GFGF CCCc1c(O)ccc2c1O[C@@](C1CC1)([C@H](Cl)C(=O)C(=O)OC)CC2=O 587460280 SNAMLBIVUNJYIR-MJGOQNOKSA-N 380.824 2.808 50 1 GFGF COC(=O)C(C)(C)[C@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414092 KGWINXYXXQQFER-PIGZYNQJSA-N 383.238 2.776 50 1 GFGF CCOC(=O)C1([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 587412386 BKVNSFFPSZFSLY-KZULUSFZSA-N 395.249 2.920 50 1 GFGF C[C@H]1[C@@H](OCCN2CCOCC2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 44118555 BYMNFJKAXZHAJK-CSVMXFRRSA-N 397.512 2.543 50 1 GFGF Cc1noc(-c2ccc(N3C[C@H](CI)OC3=O)cc2)n1 96928813 LEUOCXQNMJFIGG-NSHDSACASA-N 385.161 2.805 50 1 GFGF NNC(=O)Cn1c(-c2ccc(CNCc3ccccc3)o2)nc2ccccc21 299820800 DSMWKWARQWORTN-UHFFFAOYSA-N 375.432 2.576 50 1 GFGF COc1ccccc1OCC(=N/NC(=O)c1ccncc1)/N=C/c1cccnc1 6004637 STSRMEPNXJONRQ-VXJJIPQQSA-N 389.415 2.727 50 1 GFGF COc1cc([C@H](OC)[C@@H](CO)Oc2ccc(C=CC=O)cc2OC)ccc1O 2356530152 FFSBZOPEPNMMNU-RTWAWAEBSA-N 388.416 2.749 50 1 GFGF COc1cc(Br)cc(/C=N/NC(=O)CCc2ccc(O)cc2)c1O 49112122 AUFYCJUXTFAEKS-VXLYETTFSA-N 393.237 2.952 50 1 GFGF COC(=O)[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587672433 FUWOTIPROQEJNO-UHLUBPPHSA-N 395.066 2.886 50 1 GFGF CC1=C(CCCl)C(=O)N2CCC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)[C@@H]2N1 587375275 KVAQWSABNDMAGZ-UXHICEINSA-N 389.883 2.736 50 1 GFGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCCN4)cc(OC)c1OC 1857773022 LQIWKGXQUITMNP-IBGZPJMESA-N 395.415 2.735 50 1 GFGF CN(C)CCSSCCNC(=O)c1cc(OC(F)(F)F)ccc1N 618009545 ZMAYCMQGUGIROY-UHFFFAOYSA-N 383.461 2.840 50 1 GFGF CCCc1c(O)ccc2c1O[C@](C1CC1)([C@H](Cl)C(=O)C(=O)OC)CC2=O 587460277 SNAMLBIVUNJYIR-IEBWSBKVSA-N 380.824 2.808 50 1 GFGF COC(=O)[C@@]1([C@@H](C)Br)NCCc2cnc3c(OC)cccc3c21 963045479 GDVYTBKEXHNRIY-QGHHPUGFSA-N 379.254 2.541 50 1 GFGF COc1ccc2nc(C)cc(SCC(=O)NN/C=C3/C=CC(=O)C(O)=C3)c2c1 13126052 FNNMQVYEAYHPMV-RAXLEYEMSA-N 397.456 2.729 50 3 GFGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NN=C1C(=O)Nc3ccccc31)O2 1911586771 NXGVPXYZIZDRCH-JOCHJYFZSA-N 393.443 2.874 50 1 GFGF C[C@@]12OC[C@@H]3OC(=O)[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC=C([C@@H]31)[C@@H](OO)O2 2356565200 RUHYVNDSXWCFOW-BRSWHANOSA-N 392.448 2.550 50 1 GFGF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCCl)[C@H]1c1cccc([N+](=O)[O-])c1 169723489 XCVAJBGRHWBVQY-HOCLYGCPSA-N 394.811 2.998 50 1 GFGF COc1ccc(OCC(=N/NC(=O)c2ccncc2)/N=C/c2ccncc2)cc1 6004621 TXVAQYPAECVCPY-VXJJIPQQSA-N 389.415 2.727 50 1 GFGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(O)cc1O 95808894 OQXOARVODAJWDG-FYJGNVAPSA-N 385.420 2.843 50 1 GFGF COC(=O)C1=CN(c2ccc3c(c2)OCO3)C(N)=C(C#N)[C@H]1c1ccccc1 95566654 WXKVNAQKUJFPQK-LJQANCHMSA-N 375.384 2.770 50 3 GFGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@]34C=C(C=O)[C@H](CC[C@H]23)C4)[C@@]1(C)CO 95908920 CLOLDMTTYQNMNE-POQRMJJWSA-N 376.493 2.639 50 1 GFGF biogenic,in-vitro N#CC1=C(N)N2CCc3cc4c(cc3[C]2C=C1c1ccc2c(c1)OCO2)OCO4 2356814472 YMEYTTDNTILGJJ-UHFFFAOYSA-N 386.387 2.673 50 1 GFGF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCCCC(=O)NN 587861797 CTFNFBBOXVOUDT-UHFFFAOYSA-N 384.358 2.768 50 1 GFGF COc1cccc(C(=O)N/N=C/c2c[nH]nc2-c2ccc(OC)cc2OC)c1 721779 DUZAXMXMZUPHLQ-WSDLNYQXSA-N 380.404 2.866 50 1 GFGF CC(C)OC(=O)C1=C2c3ncccc3C(=O)N2[C@@H](Cl)[C@H](Cl)[C@H]1Cl 5963036 NROKSFFCFRAWQB-OPQQBVKSSA-N 375.639 2.993 50 1 GFGF C[C@@]12C(=CC(=O)C[C@@H]1CCl)CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)O 118922513 BBGSHFCBCBCOLV-SLOYOWQXSA-N 396.911 2.770 50 1 GFGF O=C1OC(=O)c2cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)ccc21 586907087 SAOLSIDHMAABKJ-UHFFFAOYSA-N 387.355 2.600 50 1 GFGF COC(=O)[C@@H]1[C@@H](OC(=O)Nc2ccc(N=C=S)cc2)C[C@H]2CC[C@H]1N2C 169370368 QZFRFIDBOHIVBW-WCVJEAGWSA-N 375.450 2.994 50 1 GFGF O=C(O)c1cccc(-c2ccc(/C=N\NC(=O)[C@H]3COc4ccccc4O3)o2)c1 15919611 UQXXCSADSBHOBJ-VCYKRWNGSA-N 392.367 2.935 50 1 GFGF COC(=O)C=C(CC[C@@H]1C(C=O)=C[C@H](O)[C@H]2C(C)(C)CCC[C@]12C)COC=O 2356420335 WNGUATLTENRAIQ-YSNWRPKNSA-N 392.492 2.988 50 1 GFGF C[C@@H](C(=O)N/N=C1\C(=O)Nc2ccccc21)c1ccc(O)c(Br)c1 72178557 KJCFFEVTBWRIEH-SECBINFHSA-N 388.221 2.731 50 1 GFGF CCc1ccc2c(c1)[C@@]1(N[C@H](C(=O)O)Cc3cc(C)c(O)cc31)C(C=O)=CO2 963507772 JJZKLCQYPOHVOE-PGRDOPGGSA-N 379.412 2.581 50 1 GFGF NNC(=O)CNc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1 28340501 OZMMSGLJPXBUCS-UHFFFAOYSA-N 391.456 2.516 50 1 GFGF CCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1857765909 FAGVERPQYRGNTG-AWEZNQCLSA-N 395.371 2.811 50 1 GFGF COC(=O)CCCCCN1C(=O)[C@@H]2SS[C@H]1C(=O)N2Cc1ccccc1 1857551109 AONVZGOFYCPZOC-ROUUACIJSA-N 394.518 2.638 50 1 GFGF CC1=NN(c2nc(N)nc(/C(C#N)=C\c3ccc([N+](=O)[O-])s3)n2)C(C)(C)C1 6004906 RWVZBXAFTQJQIA-POHAHGRESA-N 384.425 2.852 50 1 GFGF Cc1oc2c(c1C(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)c1ncccc1C2=O 1857745739 DMSGAIJYQBEBPQ-UHFFFAOYSA-N 378.296 2.886 50 1 GFGF CCCCC(=O)Oc1ccc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 142031592 FWKZXFQMOSHIJW-WJDWOHSUSA-N 387.388 2.953 50 1 GFGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)NC(=O)CO4)[C@@H](C2)C3=O 587418621 ABXILFHUFONMSK-RBZFPXEDSA-N 385.803 2.908 50 1 GFGF CCS(=O)(=O)N1[C@H]2CC[C@@H]1CC1(C2)OOC2(OO1)C1CC3CC(C1)CC2C3 44145960 CGRIRRKXQLALEH-GQYJEPOKSA-N 399.509 2.722 50 1 GFGF COc1cccc(OCC(=N/NC(=O)c2ccncc2)/N=C/c2ccncc2)c1 6004617 WQLIAEGRYIAAQM-VXJJIPQQSA-N 389.415 2.727 50 1 GFGF C[C@@]12C(=CC(=O)C[C@H]1CCl)CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)O 118922516 BBGSHFCBCBCOLV-UEZDBJHGSA-N 396.911 2.770 50 1 GFGF C=C(CCCC(C)=O)[C@H](C(=O)O)[C@H](CC(=O)O)C(C=O)=CC=CC(C)(C)O 2356603342 HBNZJZYVOVJXQT-AEFFLSMTSA-N 380.437 2.546 50 1 GFGF N#Cc1cc(CC(=O)N/N=C2\C(=O)Nc3c(Cl)ccc(Cl)c32)ccc1O 72179209 AQZNXLFAJGRUTK-UHFFFAOYSA-N 389.198 2.586 50 1 GFGF O=C1C(=O)[C@H](Cl)[C@]2(C(=O)[C@H]1Cl)c1ccsc1CCN2Cc1ccco1 962714031 YABDUOZOIHEWQL-NUTKFTJISA-N 398.267 2.530 50 1 GFGF C[C@](O)(CBr)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 13609030 JYVZQWDDOMYNGW-ZDUSSCGKSA-N 394.143 2.896 50 1 GFGF CC(=O)O[C@@H]1CCCN(Cc2ccc(C(=O)N/N=C/c3ccc(N)cc3)cc2)C1 1857631944 XFPGOWNFHVFXMZ-HLQTZPMBSA-N 394.475 2.560 50 1 GFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 43649448 FIHJKUPKCHIPAT-IRSGLBKSSA-N 384.425 2.602 50 1 GFGF C[C@H](Br)C(=O)Nc1cccc(NC(=O)NC(=O)CCCl)c1 44306289 AKQPBFDXOWOHBY-QMMMGPOBSA-N 376.638 2.686 50 1 GFGF CN(C)CCSSCCNC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1 618008269 WRJSEPIHVDFXTR-CYBMUJFWSA-N 382.473 2.798 50 1 GFGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(=O)O)N1 587672925 IYBIUWUOQURLGT-PWCHPLFNSA-N 381.039 2.797 50 1 GFGF C[C@@H]1C[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]2(C)[C@@H]1C(=O)CO 253635379 FFWNOWIHZBNWLB-KJMWKNKISA-N 392.923 2.906 50 1 GFGF C[C@@]1(c2ccc(F)cc2)NC(c2nccs2)=NC(CN2CCOCC2)=C1C#N 1857545290 JMYKJXFETVUNDD-FQEVSTJZSA-N 397.479 2.657 50 1 GFGF COC(=O)[C@@]1(CCCCl)NCC2(CCOCC2)c2cc(OC)c(OC)cc21 963182022 CHAAEFZFVVSFEQ-FQEVSTJZSA-N 397.899 2.743 50 1 GFGF CC1(C)CC(=O)C=C(NCC(=O)N/N=C\c2ccc(Br)cc2)C1 101777933 GYCMFPGUBYNXCP-JMIUGGIZSA-N 378.270 2.762 50 1 GFGF Cc1ccccc1-c1ccoc1C(=O)NNC(=O)c1ccc(O)c([N+](=O)[O-])c1 299829545 KFIDPWUGCZSNQL-UHFFFAOYSA-N 381.344 2.944 50 1 GFGF O=C(NN/C=C1\C=C(Cl)C=C([N+](=O)[O-])C1=O)NC12CC3CC(CC(C3)C1)C2 13122775 CIEDIRPDCOWMSC-UKTHLTGXSA-N 392.843 2.509 50 3 GFGF C[C@H]1CC[C@@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 145984949 FIHJKUPKCHIPAT-PIYKRXQXSA-N 384.425 2.602 50 1 GFGF COc1cccc2c(SCC(=O)NN/C=C3/C=CC(=O)C(O)=C3)cc(C)nc12 13126048 KVLLYVPXZSAKSR-RAXLEYEMSA-N 397.456 2.729 50 3 GFGF O=C1c2c3c(cc(O)c2[C@H](O)[C@@H](O)[C@H]1Cl)-c1ccc(O)c2c(O)ccc-3c12 2356719531 AMQOBMMZEFKRQQ-IHPCNDPISA-N 384.771 2.802 50 1 GFGF CC1(C)O[C@H]1Cc1cc(CC2=C(c3ccc(O)cc3)C(=O)OC2=O)ccc1O 84724156 CKIQGFVEMXGQMC-SFHVURJKSA-N 380.396 2.897 50 1 GFGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C(=O)O 587539657 XFEOPOOFDSIRJW-LRDDRELGSA-N 379.162 2.572 50 1 GFGF COc1ccccc1OCC(=N/NC(=O)c1ccncc1)/N=C/c1ccncc1 6004615 PMBZHMYWCRPFMV-VXJJIPQQSA-N 389.415 2.727 50 1 GFGF O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(OC2CCCC2)c1 1857552984 DWEVJSOUAGYQSA-UHFFFAOYSA-N 378.425 2.770 50 1 GFGF O=C(O)CCC/C=C/C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNNC(=O)Cc1ccccc1 26495592 IHDLJEAGHHZBRF-OSZQSPJESA-N 386.492 2.845 50 1 GFGF CN(C)c1ccc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)cc1 95552510 OLEKDRCSRRNAPS-UHFFFAOYSA-N 397.884 2.881 50 1 GFGF N#Cc1ccc(Cn2cc(C(=O)NN)c(=O)c3ccc(C(F)(F)F)cc32)cc1 96934450 WQPNGWGWRWSGJP-UHFFFAOYSA-N 386.333 2.544 50 1 GFGF Cc1cc2nc(CCNC(=O)CBr)[nH]c2cc1Br 586971122 MAERJAJHZXQUOH-UHFFFAOYSA-N 375.064 2.687 50 1 GFGF N#Cc1cccnc1NCc1cccc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1 587230433 JFDLKDHZYGQKKI-UHFFFAOYSA-N 383.415 2.712 50 1 GFGF CCOC(=O)[C@]1([C@H](Cl)C(C)=O)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962573569 SNWIPDNEIPSULT-BAXPTACRSA-N 383.872 2.535 50 1 GFGF CCOc1cc(/C(=C\C#N)c2ccc(OC)c(OC(=O)CN)c2)ccc1OC 73196685 NQDQONQTHUPPNR-CXUHLZMHSA-N 382.416 2.922 50 1 GFGF CC(C)(C)OC(=O)N1CC[C@@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)[C@@H](Cl)C1 962761891 HSQRTJQLUDTIGT-DOXZYTNZSA-N 398.862 2.868 50 1 GFGF CC(=O)N/N=C(\C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 96169111 RKAUSQFLQYFIDB-WYMPLXKRSA-N 376.395 2.868 50 1 GFGF CCCCC[C@H](O)CC(=O)C[C@H]1C2=COC(C)=CC2=C(C=O)C(=O)[C@]1(C)O 1857652355 FCSCAGWJQQVIQQ-ONTRVFCTSA-N 376.449 2.540 50 1 GFGF N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)n1ccc(=O)c2ccccc21 1857617750 AOQMQXJKSCSICB-KPKJPENVSA-N 377.312 2.568 50 1 GFGF NNC(=O)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017709 PBLCPCCCNHSXRS-UHFFFAOYSA-N 377.429 2.892 50 1 GFGF CCC[C@]1(c2ccc(B(O)O)c(C)c2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962577473 YVPLHMJWAFKEMK-HJPURHCSSA-N 397.324 2.612 50 1 GFGF O=C(N/N=C/c1ccc(F)cc1)c1nnc(O)c2nc(-c3ccccc3)ncc12 1911577501 HSXODEGGMSQJHG-AUEPDCJTSA-N 388.362 2.695 50 1 GFGF COc1cc([N+](=O)[O-])ccc1CO[P@@](N)(=O)N(CCCl)CCCl 64540573 LWMMVLISLWMIJU-HSZRJFAPSA-N 386.172 2.966 50 1 GFGF C[C@]12C=CC(=O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@H]1CC[C@]2(O)C(=O)OCCl 253809405 YPPDYVHSNXPRMX-UEZDBJHGSA-N 396.911 2.816 50 1 GFGF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1cc(C=O)c(OC(C)C)c(B(O)O)c1 963226849 ICNBTTQLWIVRHD-OPAMFIHVSA-N 395.308 2.712 50 1 GFGF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(C(=O)NN)n1 587862553 CCWOGPSIYULMEX-UHFFFAOYSA-N 377.326 2.565 50 1 GFGF CCOC(=O)C1([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 587412387 BKVNSFFPSZFSLY-XIKOKIGWSA-N 395.249 2.920 50 1 GFGF Cc1sc2c(c1C)CCN[C@H]2c1cc(OCc2ccccc2)ccc1B(O)O 963016166 KGHRHJVQAVWDHQ-NRFANRHFSA-N 393.317 2.859 50 1 GFGF COc1ccc2c(c1)[C@@H](c1cc(B(O)O)ccc1OC(C)C)N(C(C)C)CC2 962094094 VVSCAIBBZBAUTP-QFIPXVFZSA-N 383.297 2.518 50 1 GFGF O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NC(=O)C(Cl)Cl)cc1 201472433 JXMOMNWXJJBTNP-CYBMUJFWSA-N 395.242 2.999 50 3 GFGF C[C@@H](NC(=O)OCc1ccccc1)C(=O)N(C)CCSSCCN(C)C 618009573 FIKPJICBZDBPPZ-OAHLLOKOSA-N 399.582 2.703 50 1 GFGF CCO/C=N/NC(=O)Cn1nc(-c2ccc(C)c(C)c2)c2ccccc2c1=O 49784706 LLLZPZPOUYZQQK-LPYMAVHISA-N 378.432 2.776 50 1 GFGF C[C@@H]1CC[C@H]2[C@](C)(O)[C@H](OCC(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 299818365 LDFCALDHKZTKRF-CEAYGEDASA-N 382.375 2.888 50 1 GFGF NNC(=O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587013419 VULYMIAUXJGSIS-UHFFFAOYSA-N 378.255 2.930 50 1 GFGF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCCl)[C@H]1c1cccc([N+](=O)[O-])c1 169723488 XCVAJBGRHWBVQY-ZBFHGGJFSA-N 394.811 2.998 50 1 GFGF O=C1C(CBr)=C(CBr)S(=O)(=O)c2ccccc21 27981240 ICIADRLGZWMXMK-UHFFFAOYSA-N 380.057 2.701 50 1 GFGF CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(OC(=O)C(C)(C)C)cc2)C(=O)OC1=O 169316772 BTWVFYAPBHHJRM-UVTDQMKNSA-N 387.388 2.809 50 1 GFGF O=C1O[C@@H]2C[C@@](O)(CCl)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@@H]3CCCC1=C23 14923783 XSCIYDYMKUSXCT-KQQQJOJRSA-N 378.808 2.650 50 1 GFGF NNC(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 587019332 KLJCXFMXDGVSFU-UHFFFAOYSA-N 398.473 2.528 50 1 GFGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)NC(=O)CO4)[C@@H](C2)C3=O 587418625 ABXILFHUFONMSK-RNODOKPDSA-N 385.803 2.908 50 1 GFGF CC(C)(C)S(=O)(=O)/C(C#N)=C/c1cccn1S(=O)(=O)c1ccccc1 61944511 NFSCUWRBWSSYFF-FOWTUZBSSA-N 378.475 2.803 50 3 GFGF NNC(=O)c1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587218304 IKOFKSPFOJNKLK-LJQANCHMSA-N 385.427 2.686 50 1 GFGF COc1cc2c3c(c1)O[C@@](CBr)(c1cn(C)nc1C)[C@@H](C2)C3=O 587411229 CFSKJZYNWRQYFN-YVEFUNNKSA-N 377.238 2.775 50 1 GFGF OB(O)c1ccc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)cc1C(F)(F)F 963086576 ANBLNGQGJPQYDR-ACJLOTCBSA-N 379.162 2.634 50 1 GFGF COc1ccc([C@H]2[C@H](O)/C(=C3/C=Nc4ccccc43)NN2C(=O)CCl)cc1 100478283 LCNAFBYADVLVMQ-MSLZVHJSSA-N 383.835 2.810 50 3 GFGF CN(C)CCSSCCNC(=O)c1cc(Br)ccc1O 618009024 PAJAUWBPSMDHIK-UHFFFAOYSA-N 379.345 2.828 50 1 GFGF CC1(C)C[C@H](NC(=O)NP(=O)(N2CC2(C)C)N2CC2(C)C)C(C)(C)N1O 43242031 WCJHDPCEOUGPCD-YPQXYFKBSA-N 387.465 2.603 50 1 GFGF O=C(NNS(=O)(=O)c1ccccc1F)c1cc(F)cc(-c2ccco2)c1 1857585113 RWQOQMGTLWPYQB-UHFFFAOYSA-N 378.356 2.848 50 1 GFGF CN(C)S(=O)(=O)c1cccc2nc([C@@H](Br)C(C)(C)F)[nH]c12 587087385 PJPDKHDJMLUHLB-LLVKDONJSA-N 378.267 2.997 50 1 GFGF CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/NNC(=O)c1ccccc1 101077944 HAXAIRFDAFMIEC-LFIBNONCSA-N 399.248 2.990 50 3 GFGF CCN1N=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](Cl)C1=O 587547892 MHVOZTCTQDEZJD-DKSSEZFCSA-N 386.791 2.548 50 1 GFGF COC(=O)[C@]1([C@H](C)Br)NCCc2cnc3c(OC)cccc3c21 963045478 GDVYTBKEXHNRIY-DYZYQPBXSA-N 379.254 2.541 50 1 GFGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc[nH]c(=N)n1)CC2=O 587456314 NEPBIQIFNFSMPY-KRWDZBQOSA-N 392.253 2.803 50 1 GFGF C[C@@H]1CC(C)(C)N[C@H](CCO[P@](N)(=O)N(CCCl)CCCl)O1 43328064 YQMIAZVMXFJZGK-DMDKVIGKSA-N 376.265 2.743 50 1 GFGF C[C@H]1OCC[C@H]1N(NC(=O)OC(C)(C)C)c1nc(C#N)ncc1Br 64490889 ZCSJZWWEJRJUMX-MWLCHTKSSA-N 398.261 2.534 50 1 GFGF C=CCOC(=O)N[C@@H](c1ccc(F)c(F)c1)[C@H](C(=O)CCl)C(=O)OC 8689826 ORWDTNZMDJHHLX-KBPBESRZSA-N 375.755 2.515 50 1 GFGF Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 195771651 CXIAWCOBGBHOCC-AGIUHOORSA-N 381.509 2.833 50 1 GFGF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C[C@H](CCl)[C@]43C)[C@@H]1CC[C@]2(O)C(=O)O 253848732 BBGSHFCBCBCOLV-MZCNECNLSA-N 396.911 2.770 50 1 GFGF N#CC1=C(N)n2cccc2N[C@]1(c1ccc(N2CCOCC2)cc1)C(F)(F)F 621477854 QQIKAHJNGRQGRN-SFHVURJKSA-N 389.381 2.859 50 1 GFGF CCOC(=O)/C(C#N)=C/C(C(=N)N1CCN(c2ccccc2)CC1)=C(/O)OCC 103351483 YFOJWSISBFKNQB-HZWNGBOYSA-N 398.463 2.605 50 1 GFGF CC(C)CN(NC(=O)c1ccc(-n2cccn2)cc1)c1nc(C#N)ncc1Cl 58582964 VMLTZFOMWUHLNV-UHFFFAOYSA-N 395.854 2.995 50 1 GFGF O=C(CCl)N[C@@H](Cc1ccco1)C(=O)Nc1ccc(Br)cc1 34635508 UGCWMQRONHWPHO-ZDUSSCGKSA-N 385.645 2.947 50 1 GFGF CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=C(C)C#N)CC3)c(F)c2)C(=O)O1 40442304 QPNMZZONOWLDDU-KRWDZBQOSA-N 386.427 2.727 50 1 GFGF COc1ccc(Cl)cc1C#Cc1ccc(-n2ncc(C(=O)NN)c2C)cc1 587906756 RHEJWIOXYZYSFN-UHFFFAOYSA-N 380.835 2.846 50 1 GFGF CN(C)CCSSCCNC(=O)Cc1ccc(O)c(Br)c1 618009106 SFEIABJDJNYENA-UHFFFAOYSA-N 393.372 2.756 50 1 GFGF Nc1ccc(C(=O)N/N=C2/c3cc(Br)cnc3-n3cccc32)cc1 1857766233 ASIZSPPPWVQYBF-QNGOZBTKSA-N 382.221 2.713 50 1 GFGF COc1ccc2c([C@H]3CC(=O)C4=C(C3)OC(N)=C(C#N)[C@@H]4C)cc(=O)oc2c1 95564110 PEFRIZYUAGLOKN-QWRGUYRKSA-N 378.384 2.862 50 1 GFGF CC(C)(C)OC(=O)N1CC[C@]2(N[C@H](C(=O)O)Cc3cc(F)ccc32)[C@H](Cl)C1 962761893 HSQRTJQLUDTIGT-QMTMVMCOSA-N 398.862 2.868 50 1 GFGF CC(=O)NCCc1ccc([C@]2(CCl)NCCc3c(C)ccnc32)cc1F 963070917 HZFLEJAXYXPKRM-FQEVSTJZSA-N 375.875 2.836 50 1 GFGF C=CCN1C(=O)/C(=N\NC(=O)c2cccnc2)c2cc(Br)ccc21 100056974 OGRIZBCLWMAECB-HKWRFOASSA-N 385.221 2.511 50 3 GFGF C[C@@H]1[C@H](OC(=O)CCC(=O)O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]42OO3 195261698 FIHJKUPKCHIPAT-PFZGFWQUSA-N 384.425 2.602 50 1 GFGF O=C(O)c1cccc2c1CCN[C@]2(CCl)c1c[nH]c(C(=O)N2CCCC2)c1 963155589 YUYWVFNXUXIDOO-HXUWFJFHSA-N 387.867 2.577 50 1 GFGF O=CN1CCN(CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 43574589 KEPGUUYQQYQWLK-UHFFFAOYSA-N 390.524 2.778 50 1 GFGF CC(C)(NC(=O)CCl)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587009564 LJJSZAKMYVQWEJ-UHFFFAOYSA-N 381.819 2.928 50 1 GFGF COc1ccc([C@@H]2[C@H](O)/C(=C3/C=Nc4ccccc43)NN2C(=O)CCl)cc1 100478274 LCNAFBYADVLVMQ-JASROLJRSA-N 383.835 2.810 50 3 GFGF NNC(=O)c1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587029491 PSIWJYQEOYAJHE-UHFFFAOYSA-N 389.444 2.688 50 1 GFGF CCC[C@]1(c2ccc(B(O)O)c(C)c2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962577474 YVPLHMJWAFKEMK-MWTRTKDXSA-N 397.324 2.612 50 1 GFGF CN(C)CCN1C(=O)c2cccc3cc(NC(=O)CCCCl)cc(c23)C1=O 28712234 OSFWFFXJHOUHFZ-UHFFFAOYSA-N 387.867 2.955 50 1 GFGF COc1cc(Cl)c(/C=N/NC(=O)CCCCC(=O)NO)c(Cl)c1OC 95809396 YSLUHLQYNOVPNB-QGMBQPNBSA-N 392.239 2.527 50 1 GFGF C[C@@H]1CC[C@@H]2[C@@]34OO[C@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](OCC(F)(F)F)[C@@]2(C)O 169339990 LDFCALDHKZTKRF-UFQYGGGTSA-N 382.375 2.888 50 1 GFGF O=C(CCCCCCC[C@@H](Cl)CN=C=S)CC(=O)N[C@H]1CCOC1=O 1772590526 NFNVMGCCDRHJGC-HIFRSBDPSA-N 388.917 2.818 50 1 GFGF O=C(CI)NCCc1coc2ccc3c(c12)CCCO3 103233507 CNWXLMIEYHAJRV-UHFFFAOYSA-N 385.201 2.852 50 1 GFGF CC(=O)O[C@@H]1C=C2C(=O)OC[C@@H]2O[C@]2(C)CC[C@@H](Br)C(C)(C)[C@H]12 2356808185 YNVBWSHHSHMWRT-XKSGDERDSA-N 387.270 2.759 50 1 GFGF CCOC(=O)/C(C#N)=C/C(=C(\O)c1ccc(OC)cc1)[n+]1ccc(N(C)C)cc1 205889260 FJMSUYRFFFPJMK-UHFFFAOYSA-O 394.451 2.946 50 1 GFGF C/C(=N\NC(=O)c1ccn(C)n1)c1ccc(NC(=O)c2cccc(F)c2)cc1 15989851 QNEKFVQKMBGELS-YDZHTSKRSA-N 379.395 2.966 50 3 GFGF N#CC(C#N)=C1N(CCCCN2CCCCC2)CCN1CCN1CCCCC1 36289094 JUQMYGBMXZMRHX-UHFFFAOYSA-N 384.572 2.615 50 1 GFGF Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C/NCCBr)C=C3C=O 102907064 OWHNSEKBVMUSOX-DHZHZOJOSA-N 388.217 2.748 50 1 GFGF Cc1cc(C(=O)N/N=C/[c-]2cc(Cl)cc([N+](=O)[O-])c2=O)c2ccccc2n1 169690102 BHYGRRYQXDKIKS-AWQFTUOYSA-N 383.771 2.948 50 1 GFGF COC(C)(C)[C@@H](Br)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586971320 PRNPXOXAZJVODX-LBPRGKRZSA-N 390.303 2.674 50 1 GFGF CO[C@@]12CCN(C)C[C@H]1[C@H](c1ccc(N3CCCCC3)cc1)C(C#N)=C(N)O2 71295048 PJUXITQUYYAGOY-TUNNFDKTSA-N 382.508 2.779 50 1 GFGF CC(C)c1nn(C)c2c1[C@](CBr)(c1cnc(Cl)nc1)NCC2 962915273 HFHFOLORGXUPJP-HNNXBMFYSA-N 384.709 2.771 50 1 GFGF C[C@]12C=CC(=O)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)OCCl 58587155 YPPDYVHSNXPRMX-BUVJHLBQSA-N 396.911 2.816 50 1 GFGF O=C(N/N=C1\C(=O)N([C@@H]2OC(=O)c3ccccc32)c2ccccc21)c1ccco1 100485975 GSKHRIKINZUCMX-KTXUMSRNSA-N 387.351 2.630 50 3 GFGF COc1cc(Cl)c2c(c1Cl)/C(=N/NC(=O)Cc1ccc(O)cc1)C(=O)N2 72179069 GOKQLMYJOTVAJE-UHFFFAOYSA-N 394.214 2.723 50 1 GFGF Cc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3S(C)(=O)=O)o2)cc1 1857771011 VCCIJSMWTPVELF-UHFFFAOYSA-N 398.440 2.733 50 1 GFGF COc1cc([C@H](Oc2ccc(/C=C/C=O)cc2OC)[C@@H](CO)OC)ccc1O 238774303 OXIOOSQVRKLEPO-KWFAIERBSA-N 388.416 2.749 50 1 GFGF O=C(CCBr)NCC1=Cc2cccc(F)c2O[C@@]1(O)C(F)(F)F 473090092 VDYFRVVRTLIEMV-CYBMUJFWSA-N 398.150 2.754 50 1 GFGF O=C(O)CCC/C=C/C[C@H]1[C@@H](CNNC(=O)Cc2ccccc2)[C@H]2CC[C@H]1O2 169370399 IHDLJEAGHHZBRF-LYUJPSGTSA-N 386.492 2.845 50 1 GFGF CCCn1c(=O)c2ccccc2n2c(SC/C(O)=C(/C#N)C(C)=N)nnc12 101665790 HUQPEGLKVYZQTA-CKPWYSSZSA-N 382.449 2.922 50 1 GFGF Cc1nc(NC(=O)CCl)sc1[C@@]1(C)NCCc2c(C(=O)O)cccc21 963120282 GCUOTVMZDAWCHX-KRWDZBQOSA-N 379.869 2.736 50 1 GFGF O=C(NNC(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc2c1)c1ccccc1 66075589 GSFNBCMYHPCAEB-UHFFFAOYSA-N 391.343 2.806 50 1 GFGF COc1cc([C@H](Oc2ccc(C=CC=O)cc2OC)[C@@H](CO)OC)ccc1O 2356535182 OXIOOSQVRKLEPO-RTWAWAEBSA-N 388.416 2.749 50 1 GFGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587687373 GJQKIYLOEFDLCW-CRPZRDSHSA-N 392.652 2.687 50 1 GFGF COc1ccc2c(c1)[C@](CBr)(c1ccnc(N)n1)N(C(C)C)CC2 962087008 COAGPCHVPXWEIK-GOSISDBHSA-N 391.313 2.972 50 1 GFGF COc1cc2c(cc1C(=O)NN)CC[C@@H]1C(C)(C)c3nc(C)ncc3C[C@]21C 1857602572 MAXJLUZQCYOQNP-XMSQKQJNSA-N 380.492 2.751 50 1 GFGF COc1ccc(B(O)O)c([C@@H]2c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c1 963194730 UBKVVSHVYLPZPO-ZEQRLZLVSA-N 398.271 2.587 50 1 GFGF Cc1cc(Br)c2[nH]c(CCNC(=O)CBr)nc2c1 586970522 CCLGRYTXZIXSSW-UHFFFAOYSA-N 375.064 2.687 50 1 GFGF O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC(=O)C(Cl)Cl)cc1 201472400 JXMOMNWXJJBTNP-ZDUSSCGKSA-N 395.242 2.999 50 3 GFGF COC(=O)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538322 PBIPJHLXGWKYNI-DYVFJYSZSA-N 393.189 2.661 50 1 GFGF CCN(C)C(=O)Oc1cccc(NC(=O)C[S@@](=O)CCCCN=C=S)c1 1857611863 QQXSEDCMFBERAG-SANMLTNESA-N 397.522 2.707 50 1 GFGF O=C(CCCC[C@H]1CCSS1)N1CCN(c2ncnc3[nH]cnc23)CC1 95561865 YYJDGQAVZGEFII-ZDUSSCGKSA-N 392.554 2.716 50 1 GFGF COc1cc2c(cc1OC)[C@@]1(C(C=O)=C(N)Oc3ccc(C)cc31)N(C)[C@H](C)C2 962576320 TVQQHVQPMFHWEW-QKFKETGDSA-N 394.471 2.894 50 1 GFGF C[C@@H]1CC[C@@H]2[C@@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](OCC(F)(F)F)[C@]2(C)O 169371081 LDFCALDHKZTKRF-WWDFRBMCSA-N 382.375 2.888 50 1 GFGF CC1(C)C[C@@H](NC(=O)NP(=O)([N@]2CC2(C)C)[N@]2CC2(C)C)C(C)(C)N1[O] 1857621913 AAQWQQHATJQPFW-WFGDNEMVSA-N 386.457 2.559 50 1 GFGF O=C1[C@@H](Cl)[C@H](c2ccccc2[N+](=O)[O-])N1/N=C/CCn1nnc2ccccc21 66258819 IIDHVYWJYYULTK-YWEPWWAOSA-N 398.810 2.906 50 1 GFGF COC1=C[C@H](OC)C(C=O)=C(c2c(C)cc(OC)c(OC)c2OC)[C@@H]1OC 40891594 WGBVRPRGSQVIMC-SCLBCKFNSA-N 378.421 2.547 50 1 GFGF CC1(C)CC(NC(=O)NP(=O)(N2CC2(C)C)N2CC2(C)C)CC(C)(C)N1 43259924 XJDRHDRKWPRJBI-UHFFFAOYSA-N 385.493 2.891 50 1 GFGF C/C(C=O)=C/C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O 299851014 DQPKYEHRFQDOLK-RWPPGCTJSA-N 394.423 2.934 50 1 GFGF CC[C@H](C)[C@@H](C(=O)N/N=C\c1ccc(OC)cc1)N1C(=O)c2ccccc2C1=O 473172572 XVDCOFCLFCQJSB-WLHPTWJISA-N 393.443 2.856 50 1 GFGF COC(=O)[C@]1([C@@H](C)Br)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962568153 LBJQBENQKHJQGP-RVPKQNPDSA-N 386.286 2.732 50 1 GFGF COC(=O)C(C)(C)[C@@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414090 KGWINXYXXQQFER-DIFFPNOSSA-N 383.238 2.776 50 1 GFGF C[C@@H]1C[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]2(C)[C@H]1C(=O)CO 253635375 FFWNOWIHZBNWLB-GTYYFJESSA-N 392.923 2.906 50 1 GFGF Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21 63539443 QEWSTOOMTBAUAG-UHFFFAOYSA-N 386.411 2.670 50 1 GFGF COc1ccc(Cl)cc1C#Cc1ccc(OCn2ccc(C(=O)NN)n2)cc1 587907137 FNYPHTNAIWJNIO-UHFFFAOYSA-N 396.834 2.585 50 1 GFGF COc1ccc2c(c1)CCN1C[C@H]3CCCN(S(=O)(=O)CCl)[C@@H]3C[C@@H]21 27844365 KOXOCTGHURYTTQ-OLMNPRSZSA-N 384.929 2.605 50 1 GFGF C[C@@H]1CC[C@H]2[C@](C)(O)[C@H](OCC(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100862230 LDFCALDHKZTKRF-USIDNYSOSA-N 382.375 2.888 50 1 GFGF C=C(CCl)[C@@H]1CCC2=C[C@@H](C[C@@](C)(O)[C@H](O)c3cc(C=O)c(o3)C1)OC2=O 2356805137 VEJQZTYJCRVZSZ-PBPWAIRYSA-N 394.851 2.866 50 1 GFGF COc1cc([N+](=O)[O-])ccc1CO[P@](N)(=O)N(CCCl)CCCl 64540571 LWMMVLISLWMIJU-QHCPKHFHSA-N 386.172 2.966 50 1 GFGF Cc1c(O)ccc2c1[C@@](C)(C(C#N)=C1Nc3ccccc3N1)N[C@H](C(=O)O)C2 963492077 PYRYLVKQRJNXAX-HRAATJIYSA-N 376.416 2.788 50 1 GFGF COC(=O)C1=C(Cn2cncn2)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl 62224579 MSXMGTMTOVJLOZ-MRXNPFEDSA-N 387.802 2.682 50 1 GFGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCCN3CCOCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 44118560 BYMNFJKAXZHAJK-RHAOSNMYSA-N 397.512 2.543 50 1 GFGF C[C@H](N)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43120644 WMWPWFNXFSPXTK-HDDXYUSQSA-N 392.503 2.811 50 1 GFGF Cc1cc(Br)ccc1OCc1nc2ccc(C(=O)NN)cc2[nH]1 586981000 IQDPIYKVJUJFJV-UHFFFAOYSA-N 375.226 2.816 50 1 GFGF NNC(=O)c1ccc2nc(-c3cc(I)ccc3F)[nH]c2c1 587182956 RFSQJTXLCVBWQY-UHFFFAOYSA-N 396.163 2.577 50 1 GFGF CC(=O)OC(/C=C(\C=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O)OC(C)=O 14721206 XHCKRICYYQUIMU-VTRMIOIGSA-N 390.432 2.802 50 1 GFGF C[C@@H]1CC[C@H]2C(CNCCN)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103184973 AZJOSPHQSIQDBF-DGUCZMLGSA-N 392.418 2.597 50 1 GFGF C[C@@H]1C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]2(C)[C@H]1C(=O)CO 118932782 FFWNOWIHZBNWLB-ZWGCNUDVSA-N 392.923 2.906 50 1 GFGF CN(C)C(=O)[C@H](Cl)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544886 PLNACAMFIIBTRQ-UCLAIMLFSA-N 375.808 2.808 50 1 GFGF CC(=O)c1ccc(N2CCN(Cc3oc(CCl)cc(=O)c3O)CC2)cc1 96922710 BZYCTIXQSMFVRM-UHFFFAOYSA-N 376.840 2.609 50 1 GFGF O=C(CBr)NCCc1nc2cc(Br)c(F)cc2[nH]1 586971373 RIUWGTNZEQRLHX-UHFFFAOYSA-N 379.027 2.518 50 1 GFGF COc1cc2c3c(c1)O[C@@](CNC(=O)CBr)(C(C)(C)C)[C@@H](C2)C3=O 587414778 XIVUEIKCAUHWBT-KPZWWZAWSA-N 396.281 2.739 50 1 GFGF CC1(C)C[C@H](NC(=O)NP(=O)([N@@]2CC2(C)C)[N@@]2CC2(C)C)C(C)(C)N1O 1857536522 WCJHDPCEOUGPCD-ALHNEKMOSA-N 387.465 2.603 50 1 GFGF COc1cc([C@H](Oc2ccc(C=CC=O)cc2OC)[C@H](CO)OC)ccc1O 2356535183 OXIOOSQVRKLEPO-SFTDATJTSA-N 388.416 2.749 50 1 GFGF NNC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 587173173 RTBLYJQSOXZWMP-UHFFFAOYSA-N 395.369 2.761 50 1 GFGF C[C@]12CC[C@H](O)CC1=CC[C@H]1C(=O)O[C@@H]3CO[C@]4(C)O[C@@H](OO)/C(=C/C[C@@H]12)[C@H]34 137546638 RUHYVNDSXWCFOW-VPNZEDHFSA-N 392.448 2.550 50 1 GFGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)n(C)c(=O)n4C)[C@@H](C2)C3=O 587419759 ZJIKVLMNPYWLBH-LHSJRXKWSA-N 398.846 2.767 50 1 GFGF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)([C@@H](Cl)C(=O)OCC)CC2=O 587459232 NJVZKYDTMSKKCB-QFBILLFUSA-N 398.839 2.782 50 1 GFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)CCCl)(c1scnc1C)O2 587411173 BGKLSLHDKOZXRR-SFHVURJKSA-N 393.896 2.948 50 1 GFGF O=C(N/N=C1/c2cc(Br)cnc2-n2cccc21)c1ccc(O)cc1 1857773926 KAGDNLZKUIPDCS-HKWRFOASSA-N 383.205 2.836 50 1 GFGF C/C(=N\N(C)C(N)=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 96169116 XTJLRYYBZQMAFB-BRJLIKDPSA-N 391.410 2.742 50 1 GFGF O=C(NNC(=O)c1cc2cc(Cl)ccc2oc1=O)c1cc(Cl)ccc1O 1857607548 HZBQVEFZUKLVDD-UHFFFAOYSA-N 393.182 2.880 50 1 GFGF CCN(C)C(=O)Oc1cccc(NC(=O)C[S@](=O)CCCCN=C=S)c1 1857611862 QQXSEDCMFBERAG-AREMUKBSSA-N 397.522 2.707 50 1 GFGF C[C@@H]1C[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@]2(C)[C@H]1C(=O)CO 253635381 FFWNOWIHZBNWLB-RIPBYRNSSA-N 392.923 2.906 50 1 GFGF N#Cc1cccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)c1 1857565600 PELGKYNBWJWSFW-UHFFFAOYSA-N 377.425 2.849 50 1 GFGF CC[C@]1(CNC(=O)CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547149 ZHPDBDFCALMDFC-QFBILLFUSA-N 375.808 2.858 50 1 GFGF O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1Cl 857205 OBVZRUUOKRZJNE-AWEZNQCLSA-N 378.215 2.560 50 3 GFGF COC1=C/C(=C/NNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)[nH]n2)C=CC1=O 15974402 PREOQOBFUYLFGS-OUKQBFOZSA-N 394.475 2.665 50 3 GFGF O=CC1=COc2ccc(F)cc2[C@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963224166 IJBYUUYYYGOWGN-DENIHFKCSA-N 390.370 2.692 50 1 GFGF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C(=O)NN)cc1 587867917 DYFQYXVALMEJNG-UHFFFAOYSA-N 377.326 2.565 50 1 GFGF CNc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc1 299870624 WQBIAJULZLHSGN-DJKKODMXSA-N 378.226 2.969 50 1 GFGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(OC)c1OC 13586106 NCOGEMKUOWRKHY-IBGZPJMESA-N 381.432 2.997 50 1 GFGF O=C1COP(=O)(O[C@@H](CBr)COCc2ccccc2)OC1 72141747 VCWCAXMNTIBANM-ZDUSSCGKSA-N 379.143 2.707 50 1 GFGF CC(C)N(C(=O)OC(C)(C)C)[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 377841334 WXXAZIXVYJCUOJ-UHFFFAOYSA-N 386.341 2.641 50 1 GFGF CC[C@]1(CNC(=O)CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547188 ZHPDBDFCALMDFC-VQIMIIECSA-N 375.808 2.858 50 1 GFGF CC1=C(C#N)[C@](NC(=O)c2cccc(C(F)(F)F)c2)(C(F)(F)F)C(=O)N1 4124722 WPGRZPNHNHSJPI-CYBMUJFWSA-N 377.244 2.664 50 1 GFGF NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1cnc(Cl)s1 28350581 SIQSCSXCEGJTMC-UHFFFAOYSA-N 386.669 2.808 50 1 GFGF CCNC(=S)NNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21 1857573005 LKJKDOATIHYLHM-UHFFFAOYSA-N 387.896 2.872 50 1 GFGF CC(C)(C)[Si](OCCc1ccc(=O)[nH]n1)(c1ccccc1)c1ccccc1 195305606 JTAOLJSERKJYMH-UHFFFAOYSA-N 378.548 2.889 50 1 GFGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C(=O)O 587539658 XFEOPOOFDSIRJW-MLGOLLRUSA-N 379.162 2.572 50 1 GFGF COc1cccc(OCC(=N/NC(=O)c2ccncc2)/N=C/c2cccnc2)c1 6004639 NFTHDVCOGMUNIC-VXJJIPQQSA-N 389.415 2.727 50 1 GFGF O=C(N/N=C/c1cccs1)c1nnc(O)c2nc(-c3ccccc3)ncc12 1911578964 BYTYDXRIMNTYER-AWQFTUOYSA-N 376.401 2.618 50 1 GFGF O=C(O)CCCC(=O)N[C@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)C1CCCCC1 43504603 PCJJULMHNJMFMK-SFHVURJKSA-N 392.408 2.820 50 1 GFGF CO[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H](C)/C1=C/C(=O)N1CCNCC1 194854560 XRAYQWJVNPDLOG-SKXXLZALSA-N 384.593 2.516 50 1 GFGF C[C@@H]1CC(C)(C)N[C@@H](CCO[P@](N)(=O)N(CCCl)CCCl)O1 43328066 YQMIAZVMXFJZGK-ZSDNHXBWSA-N 376.265 2.743 50 1 GFGF COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H]([C@](C)(O)CCl)O2 5759699 QDSRUIDWGNCDAY-AUUYWEPGSA-N 376.792 2.954 50 1 GFGF biogenic COC(=O)C(=O)[C@H](Cl)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687374 GJQKIYLOEFDLCW-JNUYDFPXSA-N 392.652 2.687 50 1 GFGF CC[C@@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN(C[C@@H](Cl)[C@@H]1O)[C@@H]24 238786594 QBOYKQULRKMTBV-LHBNDYAWSA-N 388.895 2.633 50 1 GFGF CCOC(=O)C[C@@]1([C@@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415544 ULDNHXMHSUSSAF-KSYCPYKJSA-N 383.238 2.918 50 1 GFGF Cc1cc(C(=O)NN/C=C2\C=C(Cl)C=C([N+](=O)[O-])C2=O)c2ccccc2n1 15974051 DAHUULNADZTJMS-PKNBQFBNSA-N 384.779 2.528 50 3 GFGF CCOc1cc(/C(=C\C#N)c2ccc(OC)c(NC(=O)CN)c2)ccc1OC 73156276 GPCUOIGHARZLFS-SXGWCWSVSA-N 381.432 2.955 50 1 GFGF C=CCN1N=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](Cl)C1=O 587546893 KFZFHUOWWZLNGA-QKYXUNIQSA-N 398.802 2.714 50 1 GFGF CC(=O)C[C@@H]1O[C@@H]2[C@H]3[C@@H]1[C@@H](OC(C)=O)[C@@H](C)C[C@@H]3[C@H](C)CO[C@]2(C)C=CC=O 2356573985 IZBLVPXRSYOQND-TZLLYTDLSA-N 392.492 2.733 50 1 GFGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587686957 DSSZAUZXROTYJD-JNUYDFPXSA-N 392.652 2.687 50 1 GFGF O=C1C=CC(=CNNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C=C1 13125935 YFYNUUQNKCWFNZ-UHFFFAOYSA-N 383.411 2.748 50 3 GFGF CN(C)CCSSCCCNC(=O)CN(C)C(=O)OCc1ccccc1 618008305 DTRDRJZEZUFQPD-UHFFFAOYSA-N 399.582 2.704 50 1 GFGF CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)ccc1O 1857653280 OFULLRWXMJJJTL-SFHVURJKSA-N 389.411 2.861 50 1 GFGF C[C@@H]1CC[C@H]2[C@@](C)(O)[C@@H](OCC(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43379932 LDFCALDHKZTKRF-NVBIBLTLSA-N 382.375 2.888 50 1 GFGF CC(C)[C@@H](C(=O)NCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C 618008911 NULQLCPSRDMVBM-AWEZNQCLSA-N 393.619 2.937 50 1 GFGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOCc4oc(C)c[n+]4C)[C@@]13OO2 100863974 YXGWMXFYVIALFC-XIHRTOKZSA-N 382.477 2.935 50 1 GFGF CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)ccc1O 1857653279 OFULLRWXMJJJTL-GOSISDBHSA-N 389.411 2.861 50 1 GFGF COc1ccc(OCC(=N/NC(=O)c2ccncc2)/N=C/c2cccnc2)cc1 6004640 PWVWHXBEWXVPTO-VXJJIPQQSA-N 389.415 2.727 50 1 GFGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@H]1c1ccc(O)cc1 103206145 AAPZLCJHWQNVLK-UKRRQHHQSA-N 376.199 2.893 50 1 GFGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](CBr)(c2ccncc2)N1 963237783 UNZKQWAZWDSEPB-MJGOQNOKSA-N 398.260 2.867 50 1 GFGF CC(=NNC(=O)CSCC(=O)NN=C(C)c1ccccc1)c1ccccc1 254046286 PEFXBZPWWBKCKP-UHFFFAOYSA-N 382.489 2.800 50 3 GFGF CCOC(=O)[C@]1([C@@H](Cl)C(C)=O)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962573572 SNWIPDNEIPSULT-XTDINYQCSA-N 383.872 2.535 50 1 GFGF COc1cc([C@H](OC)[C@H](CO)Oc2ccc(/C=C/C=O)cc2OC)ccc1O 238768854 FFSBZOPEPNMMNU-OFSRWKALSA-N 388.416 2.749 50 1 GFGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(=O)O)N1 587672798 HZCCJNTUXDQXPW-SREIQFSDSA-N 381.039 2.797 50 1 GFGF Cc1ccc(C(=O)NNc2cc(O)n(-c3ccc4c(c3)OCCO4)c2O)cc1 169691550 TXAQPPMJWCVAKD-UHFFFAOYSA-N 381.388 2.725 50 1 GFGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)CCN4)cc(OC)c1OC 1857771299 DNAGQXAIPLCEOX-LJQANCHMSA-N 379.416 2.899 50 1 GFGF O=C(NCCCCl)Nc1cccc(S(=O)(=O)Oc2ccc(O)cc2)c1 95555724 KYMVIDFAUFPPSU-UHFFFAOYSA-N 384.841 2.910 50 1 GFGF O=C(CCBr)NCC1=Cc2ccccc2O[C@@]1(O)C(F)(F)F 473091799 ZIVYTQLEHURVJH-CYBMUJFWSA-N 380.160 2.615 50 1 GFGF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCCl)[C@@H]1c1cccc([N+](=O)[O-])c1 169723487 XCVAJBGRHWBVQY-GOEBONIOSA-N 394.811 2.998 50 1 GFGF O=C(NNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1)c1ccncc1 58582783 UILIHQIAPPXBKQ-UHFFFAOYSA-N 390.451 2.757 50 1 GFGF COc1cc2cc(C(=O)NCCSSCCN(C)C)[nH]c2cc1OC 618008111 AKQLYFPBRHQEPK-UHFFFAOYSA-N 383.539 2.858 50 1 GFGF CCCOc1ncc(CN/C(SC)=C(/C#N)C(=O)OCCOCC)s1 103216721 ZJWPZRATEMNCOR-BUHFOSPRSA-N 385.511 2.699 50 1 GFGF C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)OCCl 118933108 YPPDYVHSNXPRMX-MZCNECNLSA-N 396.911 2.816 50 1 GFGF CCCCc1cn(CCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1 169346131 GOYGOVONHQHKLZ-HZHRSRAPSA-N 392.463 2.859 50 1 GFGF NC(=O)N1CCc2sccc2[C@@]1(CBr)c1ccc(O)cc1O 962720666 XPIUZIIYTCDJDB-OAHLLOKOSA-N 383.267 2.735 50 1 GFGF CCOc1cccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1O 261143955 NNZVOPPZPAAXRN-UHFFFAOYSA-N 395.337 2.899 50 1 GFGF C=CCN1N=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](Cl)C1=O 587546895 KFZFHUOWWZLNGA-XFQXTVEOSA-N 398.802 2.714 50 1 GFGF COC(=O)[C@]1([C@H](Cl)C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 587688777 OCSBVHMJAGDHFL-LNSLMCEBSA-N 392.652 2.687 50 1 GFGF Cc1ccc(C(=O)NN)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587878467 GBAWTOZJICOZBJ-UHFFFAOYSA-N 390.270 2.616 50 1 GFGF CC(=O)O[C@@H]1C=C2C(=O)OC[C@@H]2O[C@]2(C)CC[C@H](Br)C(C)(C)[C@H]12 2356808182 YNVBWSHHSHMWRT-PYXYIPKBSA-N 387.270 2.759 50 1 GFGF O=C(O)CCC/C=C/C[C@@H]1[C@@H](CNNC(=O)Cc2ccccc2)[C@H]2CC[C@H]1O2 169370400 IHDLJEAGHHZBRF-ATJLDBAISA-N 386.492 2.845 50 1 GFGF CC(=O)C[C@@H]1O[C@@H]2[C@H]3[C@@H]1[C@@H](OC(C)=O)[C@@H](C)C[C@@H]3[C@@H](C)CO[C@@]2(C)C=CC=O 2356573984 IZBLVPXRSYOQND-FCFMFAJBSA-N 392.492 2.733 50 1 GFGF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(C(=O)NN)cc2[nH]1 587201388 LLTNJEZVSBZDLA-UHFFFAOYSA-N 375.473 2.747 50 1 GFGF O=C(OCc1ccccc1)N1CCN(Cc2oc(CCl)cc(=O)c2O)CC1 96922492 UGIIUFHDPOFXEX-UHFFFAOYSA-N 392.839 2.539 50 1 GFGF CN(C)S(=O)(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1 587087530 RHHQOHVELZMNFA-LLVKDONJSA-N 378.267 2.997 50 1 GFGF CC(C)=NNC(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@H]21 84670904 YRJUEGWRWNXTGM-CYBMUJFWSA-N 380.408 2.716 50 1 GFGF CCOC(=O)/C(C#N)=C/C(=C(\O)c1ccc(C#N)cc1)[n+]1ccc(N(C)C)cc1 205899267 KPLSLQXSQNYXTC-UHFFFAOYSA-O 389.435 2.809 50 1 GFGF CC(C)(C)OC(=O)NN(C[C@H]1CCCO1)c1nc(C#N)ncc1Br 58576364 XYHYSASODLGXMB-SNVBAGLBSA-N 398.261 2.536 50 1 GFGF O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1cc(Cl)ccc1O 103232037 PLAVNFPASFWIDF-UFWORHAWSA-N 389.824 2.733 50 1 GFGF N#Cc1cc2nc(CCNC(=O)CBr)[nH]c2cc1C(F)(F)F 586970596 CSQLKFQZRMZTOR-UHFFFAOYSA-N 375.148 2.507 50 1 GFGF COC(C)(C)[C@H](Br)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586971319 PRNPXOXAZJVODX-GFCCVEGCSA-N 390.303 2.674 50 1 GFGF CCOc1ccc(/C=N/NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1 668981 DWAWAUXASPMDQG-DJKKODMXSA-N 383.364 2.595 50 3 GFGF C[C@@H]1OCC[C@@H]1N(NC(=O)OC(C)(C)C)c1nc(C#N)ncc1Br 64490891 ZCSJZWWEJRJUMX-ONGXEEELSA-N 398.261 2.534 50 1 GFGF CC(=O)OC=CC(=COC(C)=O)[C@H](CC=C(C)C#CC=C(C)C=O)OC(C)=O 2356434175 HWMRDXWSLUIIGO-NRFANRHFSA-N 388.416 2.927 50 1 GFGF N#C/C(=C(/O)COC(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1 101618475 VSDWMKLTYYHUMZ-SSZFMOIBSA-N 377.356 2.984 50 1 GFGF COc1ccc([C@@H]2[C@@H](O)/C(=C3/C=Nc4ccccc43)NN2C(=O)CCl)cc1 100478289 LCNAFBYADVLVMQ-QCKBSDDKSA-N 383.835 2.810 50 3 GFGF NNC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587885816 FDRTZSBTCJTGTR-UHFFFAOYSA-N 391.258 2.699 50 1 GFGF CN(C)CCSSCCNC(=O)c1ccc(O)c(Br)c1 618009510 ZCYUTVWAXCSUGH-UHFFFAOYSA-N 379.345 2.828 50 1 GFGF CCOCCOC(=O)/C(C#N)=C(/CC)NCc1ccc(Br)nc1 103222733 QTWOSNLNFYRRPO-YPKPFQOOSA-N 382.258 2.701 50 1 GFGF CN(C)CCSSCCCn1cc(COC(=O)c2ccccc2)nn1 618010356 VADMITCAZDGIBU-UHFFFAOYSA-N 380.539 2.968 50 1 GFGF COc1ccc2c(c1)[C@](CC(C)C)(c1ccc(B(O)O)cc1)N(C(C)C)CC2 962093952 QTGVBFRABFDHNN-QHCPKHFHSA-N 381.325 2.931 50 1 GFGF COc1cc2c(cc1OC)C1=C(C=O)c3ccc(OC)c(OC)c3[C@@H](O)N1CC2 6010081 SFSWKAZCUINXLS-JOCHJYFZSA-N 397.427 2.651 50 1 GFGF O=C1[C@@H](Cl)[C@@H](c2ccc([N+](=O)[O-])cc2)N1/N=C/CCn1nnc2ccccc21 66262764 GMLNNLIJAMGSHE-KOAYLJGYSA-N 398.810 2.906 50 1 GFGF COC1=C/C(=C/NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)C=CC1=O 15936923 WHQVXWWLBIPTHY-CCEZHUSRSA-N 389.411 2.726 50 3 GFGF COc1ccc(OC)c([C@@]2(CCl)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963513172 ZJCMMRWKUXPHNA-JXFKEZNVSA-N 391.851 2.799 50 1 GFGF CCCCCc1[nH]nc2c1[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1857653815 AHGKPDBJRJFMPL-HNNXBMFYSA-N 399.407 2.983 50 1 GFGF CC(=O)O[C@@H]1C[C@@]2(C)O[C@@H]3C[C@H](Br)C(C)(C)O[C@@]3(C)[C@H]1C[C@@H]2O 2356574613 GMBJRQXOVSETGR-KDMVYWABSA-N 391.302 2.568 50 1 GFGF COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CC(C)(C)C)c32)cc([N+](=O)[O-])c1O 1857765608 SZKDXWMBTWXHLI-CQSZACIVSA-N 399.407 2.839 50 1 GFGF O=C(CNC1CC1)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49757086 BUKJYOUHTNLVQM-UHFFFAOYSA-N 390.524 2.872 50 1 GFGF Cc1cc(C(=O)N/N=C/[c-]2ccc(=O)c([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1 169688555 KBMXACBYGWFTPE-SSDVNMTOSA-N 395.370 2.984 50 1 GFGF CCOC(=O)C[C@@]1([C@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415548 ULDNHXMHSUSSAF-WUDNQAJYSA-N 383.238 2.918 50 1 GFGF CC1(C)C[C@@H](Cl)[C@@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1ccccc14 2356494843 UVONJXOMGVTUQS-ZALBTGBISA-N 382.851 2.944 50 1 GFGF N#Cc1ccc(S(=O)(=O)N(N)C(=O)c2ccc(Cl)cc2Cl)s1 28337612 QXLRNHCVEZPFFQ-UHFFFAOYSA-N 376.246 2.631 50 1 GFGF O=C(NNS(=O)(=O)c1ccccc1)c1cc2cc(Br)ccc2o1 36184827 JOCNMQRPWDDDHH-UHFFFAOYSA-N 395.234 2.819 50 1 GFGF Cc1cc(C(=O)NN/C=C2/C=CC(=O)C([N+](=O)[O-])=C2)c(C)n1-c1ccc(F)cc1 15973816 FPIWPAFMASQGAO-KAMYIIQDSA-N 396.378 2.651 50 3 GFGF O=C(N/N=C1\C(=O)N([C@H]2OC(=O)c3ccccc32)c2ccccc21)c1ccco1 100485981 GSKHRIKINZUCMX-OZNYCYRCSA-N 387.351 2.630 50 3 GFGF N#C/C(=C(\O)COC(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1 102715656 VSDWMKLTYYHUMZ-DTQAZKPQSA-N 377.356 2.984 50 1 GFGF C=C(OCCC[Si](OC)(OC)OC)[C@@]1(C)NCCc2c(C(=O)O)cccc21 963129981 HRZYWSWPRWHADE-LJQANCHMSA-N 395.528 2.544 50 1 GFGF Cc1sc2c(c1C)CCN[C@@H]2c1cc(OCc2ccccc2)ccc1B(O)O 963016170 KGHRHJVQAVWDHQ-OAQYLSRUSA-N 393.317 2.859 50 1 GFGF Cc1nc(NC(=O)CCl)sc1[C@]1(C)NCCc2c(C(=O)O)cccc21 963120283 GCUOTVMZDAWCHX-QGZVFWFLSA-N 379.869 2.736 50 1 GFGF COc1ccc(NC(=O)CC(=O)N/N=C(\C)c2cc3ccccc3oc2=O)cc1 5810569 ZSWUIGQZLKHTIT-YDZHTSKRSA-N 393.399 2.671 50 1 GFGF COC(=O)[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673829 QOTZPFPNGGOAJJ-UHLUBPPHSA-N 395.066 2.886 50 1 GFGF CCCCc1[nH]nc2c1[C@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1857764312 ODEVPZPMRYGTNH-CQSZACIVSA-N 385.380 2.593 50 1 GFGF CN(COOC(C)(C)C)c1c2c(N)nc(=N)nc-2[nH]c2cc(Cl)ccc12 43450694 CQVZRWMAKVAEBA-UHFFFAOYSA-N 376.848 2.918 50 1 GFGF CCOc1ccccc1/C=N/NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 659739 JVOXOTFGDSHJGT-DJKKODMXSA-N 383.364 2.595 50 3 GFGF C[C@@H]1CC[C@H]2[C@](C)(O)[C@@H](OCC(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43888993 LDFCALDHKZTKRF-OJFMTWMUSA-N 382.375 2.888 50 1 GFGF O=C1[C@H](Cl)[C@@H](c2ccccc2[N+](=O)[O-])N1/N=C/CCn1nnc2ccccc21 66258820 IIDHVYWJYYULTK-IDBYYCQGSA-N 398.810 2.906 50 1 GFGF CC(=O)C[C@@H]1O[C@@H]2[C@H]3[C@@H]1[C@@H](OC(C)=O)[C@@H](C)C[C@@H]3[C@H](C)CO[C@@]2(C)C=CC=O 2356573986 IZBLVPXRSYOQND-VMCNYKNQSA-N 392.492 2.733 50 1 GFGF CC1(C)O[C@@H]1Cc1cc(CC2=C(c3ccc(O)cc3)C(=O)OC2=O)ccc1O 84724160 CKIQGFVEMXGQMC-GOSISDBHSA-N 380.396 2.897 50 1 GFGF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN(C)C)cccc2-3)cc1 3814475 LBXKLCPOKBPOST-UHFFFAOYSA-N 377.404 2.895 50 1 GFGF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(C(=O)NN)cc4[nH]3)c2)c1 587232234 PQIVZELTHYMAPB-UHFFFAOYSA-N 399.454 2.784 50 1 GFGF CN(C)c1nc(N2CCOCC2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 40914168 PILUHXMDBJGVEZ-INIZCTEOSA-N 386.887 2.709 50 1 GFGF C=C(C(=O)C=CC(C)(C)OO)[C@@H]1C[C@@H]2O[C@@]2(C)C(=O)[C@@H]1OC(=O)CC(C)C 2356565573 CXTWIKYEDQZGIF-BQCJVYABSA-N 380.437 2.641 50 1 GFGF C[C@@H]1CC(C)(C)N[C@H](CCO[P@@](N)(=O)N(CCCl)CCCl)O1 26826314 YQMIAZVMXFJZGK-HIMNYSJASA-N 376.265 2.743 50 1 GFGF Cc1c(OCCBr)ccc2c(=O)nc(N3CCSCC3)oc12 64453687 YKINQYYDBDMFRH-UHFFFAOYSA-N 385.283 2.823 50 1 GFGF COC(=O)c1ccc(NC(=O)NCCSSCCN(C)C)cc1OC 618008047 XBQRBARJBUOELZ-UHFFFAOYSA-N 387.527 2.546 50 1 GFGF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(C(=O)NN)cc3[nH]2)cs1 587019555 PXIZNROXYXBVDY-UHFFFAOYSA-N 388.453 2.561 50 1 GFGF CC1(C)C2=C(O[C@H]1CI)c1cccc(O)c1C(=O)C2=O 169312058 QEEGFCSGBLYDFY-VIFPVBQESA-N 384.169 2.729 50 1 GFGF CCNC(=S)NNC(=O)[C@H](Cc1ccccc1)Nc1ccc(Cl)cc1 2356517234 BQIYUJZNBXOAMR-INIZCTEOSA-N 376.913 2.878 50 1 GFGF C[C@@](O)(CBr)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 13609033 JYVZQWDDOMYNGW-CYBMUJFWSA-N 394.143 2.896 50 1 GFGF Cc1ccc2nc(C)n(NC(=O)/C(C#N)=C/c3ccc([N+](=O)[O-])cc3)c(=O)c2c1 84653601 QNGZYHLCZYPQGX-XNTDXEJSSA-N 389.371 2.599 50 1 GFGF CN(C)CCSSCCCNC(=O)c1cncc(Br)c1 618012596 QWAZBMGSJXQARJ-UHFFFAOYSA-N 378.361 2.907 50 1 GFGF COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c(OC)c1OC 13586121 PGKBWLSJXFDIBD-GOSISDBHSA-N 381.432 2.997 50 1 GFGF C[C@H]1C[C@H](OCCCl)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40410967 MNXHJJRSULXTFF-FZMZJTMJSA-N 387.267 2.920 50 1 GFGF COC(=O)C1=C(Cn2cncn2)NC(C)=C(C#N)[C@@H]1c1ccc(F)cc1Cl 58568507 MSXMGTMTOVJLOZ-INIZCTEOSA-N 387.802 2.682 50 1 GFGF O=c1nc2oc(CCCCl)cc2cn1Cc1cn(Cc2ccccc2)nn1 1772651642 FEDDJXBVDQIJCK-UHFFFAOYSA-N 383.839 2.849 50 1 GFGF CCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1857765910 FAGVERPQYRGNTG-CQSZACIVSA-N 395.371 2.811 50 1 GFGF C[C@H](C(=O)N/N=C1\C(=O)Nc2ccccc21)c1ccc(O)c(Br)c1 72178556 KJCFFEVTBWRIEH-VIFPVBQESA-N 388.221 2.731 50 1 GFGF C=C1C(=O)O[C@H]2[C@H]1CCC(/C=N/NC(=O)NCCCC)=CCC[C@@]1(C)O[C@@H]21 1911584068 SIARFVBTBUCVJS-HVFHRZPBSA-N 375.469 2.827 50 1 GFGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C(N)=O)n(C)c1)CC2=O 587462518 ZZXXLEFNSBFRTR-LJQANCHMSA-N 376.840 2.882 50 1 GFGF C[C@@H]1CC[C@@H]2[C@@]34OO[C@@](C)(CC[C@@H]13)O[C@@H]4O[C@@H](OCC(F)(F)F)[C@@]2(C)O 169339992 LDFCALDHKZTKRF-RMNCUYTGSA-N 382.375 2.888 50 1 GFGF O=C(CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)N/N=C/c1cc(Cl)ccc1O 1857647235 XKTMSNLIQGNPHH-WQEKWUENSA-N 379.794 2.920 50 1 GFGF Cc1noc(-c2ccc(N3C[C@@H](CI)OC3=O)cc2)n1 96928814 LEUOCXQNMJFIGG-LLVKDONJSA-N 385.161 2.805 50 1 GFGF O=C(CCl)OCC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)CO1 587496222 CDIOZMRTVXRWHE-HXUWFJFHSA-N 390.819 2.535 50 1 GFGF CN(C)CCSSCCNC(=O)C[C@H]1Sc2ccccc2NC1=O 618008177 TWZLEYZKXWHQLP-CQSZACIVSA-N 385.580 2.549 50 1 GFGF C=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1OC(C)=O)[C@]1(C)C(C=O)=CCC[C@@H]1C 2356610135 VESURABEAQPDNY-OEBPFPKTSA-N 390.432 2.798 50 1 GFGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2cc2c(c3C)OCO2)cc2c1OCO2 40614068 ZGNLPUKKWYCTRG-INIZCTEOSA-N 380.356 2.679 50 1 GFGF CC(C)=CCOc1ccc(C[C@@]23SS[C@@H](C(=O)N2C)N(C)C3=O)cc1 15122267 JSIYDGFKARPHEZ-WMZOPIPTSA-N 378.519 2.922 50 1 GFGF biogenic CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOCc4oc(C)c[n+]4C)[C@]13OO2 43328104 YXGWMXFYVIALFC-JVJLKXRTSA-N 382.477 2.935 50 1 GFGF COC(=O)[C@@H]1N2C(=O)[C@H](Cl)[C@H]2S[C@@]1(C)CSc1nc2ccccc2o1 473145400 SVNHGVVDYMZCIX-NLZNIHBBSA-N 398.893 2.743 50 1 GFGF CC(C)OC(=O)C1=C2c3ncccc3C(=O)N2[C@@H](Cl)[C@@H](Cl)[C@@H]1Cl 5963037 NROKSFFCFRAWQB-GBIKHYSHSA-N 375.639 2.993 50 1 GFGF CN(C)C(=O)c1csc([C@]2(CCl)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962897447 KVWYAYJTLYLSNS-KBXCAEBGSA-N 396.871 2.670 50 1 GFGF CCCOc1ccc(/C=N/NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1 2089715 PYLYPPNSOXKPDO-KEBDBYFISA-N 397.391 2.985 50 3 GFGF COc1cc([C@@H](OC)[C@@H](CO)Oc2ccc(C=CC=O)cc2OC)ccc1O 2356530151 FFSBZOPEPNMMNU-NHCUHLMSSA-N 388.416 2.749 50 1 GFGF O=C1OC(=O)c2cc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)ccc21 586906394 CMLJEQLKSXSGJK-UHFFFAOYSA-N 396.302 2.834 50 1 GFGF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=N/NC(N)=O)CC[C@]12O 13757536 BSFYWJWWFDTBKS-HSYQFJABSA-N 377.529 2.775 50 1 GFGF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CCl 34347782 MYGHFYRHLRLBTR-VWUMJDOOSA-N 378.896 2.804 50 1 GFGF C=C1C(=O)O[C@H]2[C@H]1CCC(/C=N/NC(=O)Nc1ccccn1)=CCC[C@@]1(C)O[C@@H]21 1911582362 APTONZVHMGOTJT-DNEXOYGKSA-N 396.447 2.945 50 1 GFGF CC1(C)C[C@H](NC(=O)NP(=O)([N@]2CC2(C)C)[N@]2CC2(C)C)C(C)(C)N1[O] 1857621914 AAQWQQHATJQPFW-WNVHLOTPSA-N 386.457 2.559 50 1 GFGF CC(C)=NNC(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@@H]21 84670905 YRJUEGWRWNXTGM-ZDUSSCGKSA-N 380.408 2.716 50 1 GFGF N#CC(=C(O)COC(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1 1857622326 VSDWMKLTYYHUMZ-UHFFFAOYSA-N 377.356 2.984 50 1 GFGF COc1cc([C@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2CO)cc(OC)c1O 1857759458 YJXKBHCATWSLFQ-XHSUDLSASA-N 386.400 2.840 50 1 GFGF O=C(CCl)N[C@H](Cc1ccco1)C(=O)Nc1ccc(Br)cc1 34635509 UGCWMQRONHWPHO-CYBMUJFWSA-N 385.645 2.947 50 1 GFGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C=O)[C@@H](O)C[C@H]2[C@@]1(C)CO 238752610 CLOLDMTTYQNMNE-UJKFHMGYSA-N 376.493 2.639 50 1 GFGF NC(=O)c1cn(CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cn1 43569572 WINPBRQHJXPNLI-UHFFFAOYSA-N 387.480 2.999 50 1 GFGF COC(=O)C=C(CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C)COC=O 2356420333 WNGUATLTENRAIQ-MXKPZRPRSA-N 392.492 2.988 50 1 GFGF CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C[C@H](Cl)[C@H]1O)[C@H]42 2356631127 QBOYKQULRKMTBV-XPVMQVPNSA-N 388.895 2.633 50 1 GFGF C=CCOC(=O)/C(C#N)=C1\S[C@H](CNc2ccc(C(C)=O)cc2)C(=O)N1CC 101204277 YIDXKEGWLMTUBI-KAKMCVKYSA-N 399.472 2.729 50 1 GFGF C[C@@H]1C(=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1O 2356703137 NRZKHYBFLAMACN-WFXMLNOXSA-N 398.575 2.876 50 1 GFGF C[C@H](Cl)C(=O)NC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541514 CDWLJRUWSYIDRK-SGJUXQJHSA-N 375.808 2.856 50 1 GFGF COc1cc2c3c(c1)O[C@](CBr)(c1cn(C)nc1C)[C@@H](C2)C3=O 587411222 CFSKJZYNWRQYFN-SJCJKPOMSA-N 377.238 2.775 50 1 GFGF Cc1[nH]nc2c1[C@](c1cc(F)cc(N3CCOCC3)c1)(C(C)C)C(C#N)=C(N)O2 1772584311 FJEZVGPOLHUAIJ-NRFANRHFSA-N 397.454 2.722 50 1 GFGF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](N)CCl)[nH]c2c1 587009691 BNKIBUHCCUTFMR-LLVKDONJSA-N 380.857 2.611 50 1 GFGF O=C(CCl)N(CCCCNC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 66138698 OFMUZOQGJQTUNP-UHFFFAOYSA-N 381.738 2.625 50 1 GFGF C[C@H]1C[C@@H](OCCCl)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40410973 MNXHJJRSULXTFF-SMDDNHRTSA-N 387.267 2.920 50 1 GFGF C=C1CC(=O)[C@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O 40876059 NWRSNRSZAJAFCO-KHVISUPTSA-N 381.900 2.595 50 1 GFGF O=C1O[C@@H]2C[C@@](O)(CCl)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]3CCCC1=C32 136504722 XSCIYDYMKUSXCT-DTAKHTCKSA-N 378.808 2.650 50 1 GFGF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCCl)[C@@H]1c1cccc([N+](=O)[O-])c1 169723486 XCVAJBGRHWBVQY-GDBMZVCRSA-N 394.811 2.998 50 1 GFGF COc1cc(/C=N/NC(=O)C(=O)c2c[nH]c3ccccc23)cc(OC)c1OC 1857629817 MAMWQCSYZAYJMZ-LSHDLFTRSA-N 381.388 2.527 50 1 GFGF CCCc1cn(CCCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1 169346141 ZRLVQFAVIHWCLU-HZHRSRAPSA-N 392.463 2.859 50 1 GFGF COc1cccc2c(SCC(=O)NN/C=C3\C=CC(=O)C=C3O)cc(C)nc12 13126047 MULVKNJHJZRKCL-JLHYYAGUSA-N 397.456 2.729 50 3 GFGF CC(C)(C)[Si](O[C@@H](C1OCCO1)[C@@H]1CO1)(c1ccccc1)c1ccccc1 208152165 BLFNTZMHOBVGNT-VQTJNVASSA-N 384.548 2.703 50 1 GFGF C=C[C@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc(NC=O)c3C(=O)[C@]2(O)[C@@H]1NC 2356864855 WAPKKACBPXEWEA-FSLMLFNKSA-N 390.911 2.868 50 1 GFGF CCOc1nc(OCC)c([N+](=O)[O-])c(C(Br)Br)n1 27875415 AYYVZCSIRVLZBS-UHFFFAOYSA-N 385.012 2.971 50 1 GFGF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C(=O)C=C[C@]([C@@H](C)Cl)(C1)[C@@H]23 2356407470 ZRGCDYXIJZMJLU-OOCUOIDPSA-N 384.863 2.965 50 1 GFGF COC(=O)CCCCCCC(=O)N/N=C/c1cc(OC)c(OC)cc1[N+](=O)[O-] 95809407 WSLQLRCUNJXGFU-XDHOZWIPSA-N 395.412 2.576 50 1 GFGF CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2[C@H](C=O)C1=C(C=O)C(=O)O 2356481865 BZCUJLGQIQXOMA-YOEYROIRSA-N 396.443 2.511 50 1 GFGF C[C@@H]1C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO 118932785 FFWNOWIHZBNWLB-ULHLPKEOSA-N 392.923 2.906 50 1 GFGF NC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1ccc(N)cc1)C[C@H]3CCl 1857544929 DSGWQDAPTJQUBO-SNVBAGLBSA-N 384.823 2.537 50 1 GFGF CC1(C)C[C@@H](Cl)[C@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@@]21N3c1ccccc14 238740344 UVONJXOMGVTUQS-ANFIAMTQSA-N 382.851 2.944 50 1 GFGF COC(=O)c1cc(Br)c2[nH]c(C(C)(C)NC(=O)CCl)nc2c1 587008530 PCXRRYQDQKILFD-UHFFFAOYSA-N 388.649 2.702 50 1 GFGF COc1ccc(B(O)O)c([C@H]2c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c1 963194726 UBKVVSHVYLPZPO-BJKOFHAPSA-N 398.271 2.587 50 1 GFGF NCCCNC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49745975 JRWXFTRSPDCOBP-UHFFFAOYSA-N 378.513 2.859 50 1 GFGF CN(C)CCSSCCN(C)C(=O)CN(C)C(=O)OCc1ccccc1 618010459 XIDNXIKMMHQMMN-UHFFFAOYSA-N 399.582 2.656 50 1 GFGF C=CCN1N=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](Cl)C1=O 587546871 KFZFHUOWWZLNGA-MOXGXCLJSA-N 398.802 2.714 50 1 GFGF CCn1c(O)c(C(C)=NNC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)c2ccccc21 2356814454 VNCMIZCQHMKYDU-UHFFFAOYSA-N 394.387 2.789 50 1 GFGF O=C1[C@H](Cl)[C@H](c2ccccc2[N+](=O)[O-])N1/N=C/CCn1nnc2ccccc21 66258821 IIDHVYWJYYULTK-PKKHPNISSA-N 398.810 2.906 50 1 GFGF Nc1ccc(C(=O)N(/N=C/c2cccc([N+](=O)[O-])c2)C(=O)c2cccnc2)cc1 66259155 BVRTXGLIOINTER-FSJBWODESA-N 389.371 2.889 50 1 GFGF C[C@H]1CC(C)(C)N[C@@H](CCO[P@@](N)(=O)N(CCCl)CCCl)O1 26826309 YQMIAZVMXFJZGK-DRONIGIMSA-N 376.265 2.743 50 1 GFGF C[C@@H]1[C@H](OC(=O)CCC(=O)O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 101330329 FIHJKUPKCHIPAT-LOOMPEEVSA-N 384.425 2.602 50 1 GFGF OB(O)c1ccc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1C(F)(F)F 963086578 ANBLNGQGJPQYDR-SCLBCKFNSA-N 379.162 2.634 50 1 GFGF COc1ccccc1-c1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1 1857575952 FTDUQMIUXNRVQM-UHFFFAOYSA-N 382.441 2.986 50 1 GFGF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O[C@H](C)C(=O)NN)cc1)CC2=O 587471392 RQRXBDJFOHKEEP-DMZKTXOQSA-N 398.459 2.983 50 1 GFGF COC(=O)[C@]1([C@@H](Cl)C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688294 KUWCBHCTDKAUMX-JNUYDFPXSA-N 392.652 2.687 50 1 GFGF Cc1ncc(CI)c(CI)c1O 4706274 NTSNBWDNFCMPNE-UHFFFAOYSA-N 388.974 2.966 50 1 GFGF CC(C#N)=C1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 95582494 PEVPIZLZAHYRLR-KRWDZBQOSA-N 396.426 2.883 50 1 GFGF C/C(=N\NC(=O)CC#N)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 653861837 SVDGWGSHWLIFAD-UDWIEESQSA-N 390.852 2.895 50 1 GFGF O=C(CNc1cccc(-n2cncn2)c1)N/N=C/c1c(Cl)cncc1Cl 147429192 UPMPVIGBOBQAOT-RREIPUBJSA-N 390.234 2.531 50 1 GFGF Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)Cl)n1 587886016 YQHXZCRANGSPAD-UHFFFAOYSA-N 384.650 2.816 50 1 GFGF CC1(C)CC(NC(=O)N[P@@](=O)([N@]2CC2(C)C)[N@@]2CC2(C)C)CC(C)(C)N1 1857536535 XJDRHDRKWPRJBI-MWZSMPGESA-N 385.493 2.891 50 1 GFGF COC(=O)[C@H]1[C@@H](OC(=O)Nc2ccc(N=C=S)cc2)C[C@H]2CC[C@H]1N2C 169370367 QZFRFIDBOHIVBW-LVQVYYBASA-N 375.450 2.994 50 1 GFGF CC1(C)[C@@H](Cl)C[C@@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1ccccc14 2356783700 LZMXJWKYISEJLS-MLGOKKRCSA-N 382.851 2.944 50 1 GFGF CSC1=NN=C2[C@@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)OO[C@@]34[C@@H](O5)O[C@@]2(O)S1 146704299 PPJVCDVGFDIZQY-NZBLLISGSA-N 386.495 2.700 50 1 GFGF O=C(CCCCCCC[C@H](Cl)CN=C=S)CC(=O)N[C@H]1CCOC1=O 1772590527 NFNVMGCCDRHJGC-ZFWWWQNUSA-N 388.917 2.818 50 1 GFGF CSC1=NN=C2[C@@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)OO[C@@]34[C@H](O[C@]2(O)S1)O5 58596389 PPJVCDVGFDIZQY-VQPZVGLPSA-N 386.495 2.700 50 1 GFGF COc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)NN)c(OC)c1 957853831 WNONRGVQAQEYKM-UHFFFAOYSA-N 384.461 2.639 50 1 GFGF CC(C)=CC[C@@H]1C(=O)C(C(=O)C(C)C)=C(O)[C@]1(O)C(=O)/C=C/C(C)(C)OO 1642676404 BSHBTLJFSZGLLX-LDHDXPGBSA-N 380.437 2.703 50 1 GFGF C/C(=N\NC(=O)/C(C#N)=C/c1ccccc1)c1c(O)c2ccc(O)cc2oc1=O 1857618709 ALHRZYPGRGJZMI-QRVCWEBESA-N 389.367 2.652 50 1 GFGF C=C(CCCC(C)=O)[C@H](C(=O)O)[C@H](CC(=O)O)/C(C=O)=C\C=C\C(C)(C)O 166759837 HBNZJZYVOVJXQT-LKEMYAQCSA-N 380.437 2.546 50 1 GFGF CCOC(=O)/C(C#N)=C/C(=C(\O)c1ccc(OC)cc1)[n+]1ccc(OC)cc1 205878881 UWYIRSIZQZPALA-UHFFFAOYSA-O 381.408 2.888 50 1 GFGF C=C(C(=O)C=CC(C)(C)OO)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)CC(C)C 2356565574 CXTWIKYEDQZGIF-GGLFYADGSA-N 380.437 2.641 50 1 GFGF CC(=O)O[C@H]1C[C@@]2(C)O[C@H]3C[C@H](Br)C(C)(C)O[C@@]3(C)[C@@H]1C[C@H]2O 238753043 GMBJRQXOVSETGR-ZYRABZMGSA-N 391.302 2.568 50 1 GFGF COC(=O)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538323 PBIPJHLXGWKYNI-GUYCJALGSA-N 393.189 2.661 50 1 GFGF CCOC(=O)[C@]1(NC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)CC1(C)C 84653595 OQLNMCPMSONNBE-HXUWFJFHSA-N 375.469 2.660 50 1 GFGF COc1cccc2c(=O)c3c(O)cc(OC[C@H](O)CBr)cc3oc12 28822731 OYTBZPZTVSIWJB-SECBINFHSA-N 395.205 2.795 50 1 GFGF O=[N+]([O-])c1cn(CCN(CCBr)Cc2ccc(F)cc2F)cn1 96926852 APQPIGYFMCWPSP-UHFFFAOYSA-N 389.200 2.967 50 1 GFGF OB(O)c1ccc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1C(F)(F)F 963086579 ANBLNGQGJPQYDR-UGSOOPFHSA-N 379.162 2.634 50 1 GFGF COc1cc(/C=N/NC(=O)c2n[nH]c3c2Cc2ccccc2-3)cc(OC)c1OC 1857596564 BOEFNDZPCKNIMC-SSDVNMTOSA-N 392.415 2.771 50 1 GFGF C=C[C@@]1(C)[C@H](NC)[C@@]2(O)C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1Cl 2356864856 WAPKKACBPXEWEA-HGJSKEMYSA-N 390.911 2.868 50 1 GFGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)n(C)c(=O)n4C)[C@@H](C2)C3=O 587419760 ZJIKVLMNPYWLBH-QKKBWIMNSA-N 398.846 2.767 50 1 GFGF O=C(Cc1ccc2c(c1)OCO2)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21 72179721 QIIOIAZZZLQVAA-UHFFFAOYSA-N 392.198 2.737 50 1 GFGF COc1cc([C@@H](Oc2ccc(C=CC=O)cc2OC)[C@@H](CO)OC)ccc1O 2356535181 OXIOOSQVRKLEPO-NHCUHLMSSA-N 388.416 2.749 50 1 GFGF COc1cc([C@@H]2c3cc4c(cc3C=C(C=O)[C@H]2CO)OCO4)cc(OC)c1OC 26497370 INPRFVJKDWYGGM-IIBYNOLFSA-N 398.411 2.777 50 1 GFGF C=C(C(=O)C=CC(C)(C)OO)[C@@H]1C[C@@H]2O[C@@]2(C)C(=O)[C@@H]1OC(=O)C(C)=CC 2356628339 PEGXVZZSSUDMLX-WBZSCFCESA-N 378.421 2.561 50 1 GFGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2ccc(C(=O)O)o2)ccc1C(=O)O 219904558 XDECDXUKEDAEBE-UFFVCSGVSA-N 395.371 2.847 50 1 GFGF CC(C)(C)Nc1nc(NNC(=O)c2ccncc2)nc(Nc2ccccc2)n1 58494148 RMFGUPUKORGXEM-UHFFFAOYSA-N 378.440 2.978 50 1 GFGF COc1cc(/C=C(\C#N)C(N)=O)cc(CSc2ccccc2C(=O)O)c1O 13833850 HHSJLHLCRVVXSC-WUXMJOGZSA-N 384.413 2.784 50 1 GFGF CC(C)(C)OC(=O)Nc1ccc(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)cc1 95808974 OEHFIGNTNPUSQT-CIAFOILYSA-N 398.419 2.917 50 1 GFGF CCN1N=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](Cl)C1=O 587547923 MHVOZTCTQDEZJD-UCLAIMLFSA-N 386.791 2.548 50 1 GFGF CC(=O)NNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587887218 FXGLTUHYOUBTON-UHFFFAOYSA-N 391.258 2.562 50 1 GFGF COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@@H]2CO)cc(OC)c1O 1857759457 YJXKBHCATWSLFQ-UTXAPGEGSA-N 386.400 2.840 50 1 GFGF CCS(=O)(=O)N1[C@H]2CC[C@H]1CC1(C2)OOC2(OO1)C1CC3CC(C1)CC2C3 101463624 CGRIRRKXQLALEH-MPUYUTEFSA-N 399.509 2.722 50 1 GFGF COC(=O)C1=C(C(=O)OC)[C@@H]2C(C)=CC(C)=CN2C(C#N)=C(SC)S1 5757600 DVWDYKVYNANMIK-ZDUSSCGKSA-N 378.475 2.923 50 1 GFGF CCn1cc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)c(=O)c2ccc(C)nc21 103203751 SNVWNCITPGRSNS-SSDVNMTOSA-N 394.431 2.506 50 1 GFGF CC(=O)C[C@@H]1O[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@H](OC(C)=O)[C@@H]13)[C@@H](C)CO[C@@]2(C)/C=C/C=O 38496681 IZBLVPXRSYOQND-ZBTOHSIBSA-N 392.492 2.733 50 1 GFGF CC(=O)O[C@@H]1C[C@@]2(C)O[C@@H]3C[C@H](Br)C(C)(C)O[C@@]3(C)[C@H]1C[C@H]2O 2356574614 GMBJRQXOVSETGR-ORMJNMCDSA-N 391.302 2.568 50 1 GFGF CC1(C)C2=C(O[C@H]1CI)C(=O)c1cccc(O)c1C2=O 49067283 ZSLPGYWIZNNKFX-VIFPVBQESA-N 384.169 2.885 50 1 GFGF CCc1ccc2c(c1)[C@]1(N[C@H](C(=O)O)Cc3cc(C)c(O)cc31)C(C=O)=CO2 963507768 JJZKLCQYPOHVOE-AVRDEDQJSA-N 379.412 2.581 50 1 GFGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12CCC=C2B(O)O 961748194 JDXRRMNYIVZFEE-OAQYLSRUSA-N 384.285 2.765 50 1 GFGF O=C(NNC(=O)c1occc1-c1ccc(F)cc1)c1ccc(O)c([N+](=O)[O-])c1 299825495 CPDZXQLZWXDRGY-UHFFFAOYSA-N 385.307 2.774 50 1 GFGF O=C1OC(=O)c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc3cccc1c23 95583967 MERSPBBQKJYMFG-UHFFFAOYSA-N 398.352 2.859 50 1 GFGF O=C(CCl)Nc1ccc2c(c1NC(=O)CCl)C(=O)c1ccccc1C2=O 82151023 XUYLEYSXTMGIRH-UHFFFAOYSA-N 391.210 2.817 50 1 GFGF O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1Cl 101654246 OBVZRUUOKRZJNE-CQSZACIVSA-N 378.215 2.560 50 3 GFGF COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c(OC)c1OC 13586123 PGKBWLSJXFDIBD-SFHVURJKSA-N 381.432 2.997 50 1 GFGF C=C(C(=O)/C=C/C(C)(C)OO)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)/C(C)=C/C 238751241 PEGXVZZSSUDMLX-METRKLPCSA-N 378.421 2.561 50 1 GFGF CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2[C@@H](C=O)C1=C(C=O)C(=O)O 2356481864 BZCUJLGQIQXOMA-YLGBZRSBSA-N 396.443 2.511 50 1 GFGF CCOc1cccc(/C=N/NC(=O)CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1O 1857762946 VGMCIAYHZHFPDM-BJPPMWOHSA-N 389.402 2.665 50 1 GFGF NNC(=O)Cn1c(Cc2ccc(Cl)cc2Cl)nc2ccc([N+](=O)[O-])cc21 1857544989 ZJBXYWMFLYWURF-UHFFFAOYSA-N 394.218 2.832 50 1 GFGF CC(=O)O[C@@H]1C[C@@]2(C)O[C@@H]3C[C@H](Br)C(C)(C)O[C@]3(C)[C@H]1C[C@H]2O 2356574612 GMBJRQXOVSETGR-BOZVJZARSA-N 391.302 2.568 50 1 GFGF C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)OCCl 253809409 YPPDYVHSNXPRMX-ZWOYOFMLSA-N 396.911 2.816 50 1 GFGF CN(C)S(=O)(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1 587087533 RHHQOHVELZMNFA-NSHDSACASA-N 378.267 2.997 50 1 GFGF CC1(C)C[C@@H](NC(=O)NP(=O)([N@]2CC2(C)C)[N@]2CC2(C)C)C(C)(C)N1O 1857536524 WCJHDPCEOUGPCD-WFGDNEMVSA-N 387.465 2.603 50 1 GFGF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1OC(=O)Nc1ccc(N=C=S)cc1)N2C 26296904 QZFRFIDBOHIVBW-QXSJWSMHSA-N 375.450 2.994 50 1 GFGF COc1ccc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)cc1 95553591 YJAGXJHLESJTID-UHFFFAOYSA-N 384.841 2.823 50 1 GFGF COc1cc2c(cc1OC)[C@]1(C(C=O)=C(N)Oc3ccc(C)cc31)N(C)[C@@H](C)C2 962576315 TVQQHVQPMFHWEW-PSLXWICFSA-N 394.471 2.894 50 1 GFGF O=C(CSCC(=O)Nc1ccccc1)NN/C=C1\C(=O)C=Cc2ccccc21 13130434 WZCPEJJUNBWDHR-PDGQHHTCSA-N 393.468 2.616 50 3 GFGF C[C@@H]1CC[C@@H]2[C@](C)(O)[C@H](OCC(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100862226 LDFCALDHKZTKRF-DKWCRPQKSA-N 382.375 2.888 50 1 GFGF CC1(C)C2=C(O[C@@H]1CI)C(=O)c1cccc(O)c1C2=O 49067285 ZSLPGYWIZNNKFX-SECBINFHSA-N 384.169 2.885 50 1 GFGF CC(=O)Nc1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1 201286547 ROZAGBBQQZPSIQ-AERZKKPOSA-N 380.235 2.909 50 1 GFGF CC(=O)Nc1cc([C@]2(CCl)NCCc3c2c(C(C)C)nn3C)ccc1O 962925547 ZKGMIOFSULGIEQ-IBGZPJMESA-N 376.888 2.836 50 1 GFGF CC1(C)C[C@H](Cl)[C@@]23[C@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1ccccc14 2356494840 UVONJXOMGVTUQS-DRVXKRDMSA-N 382.851 2.944 50 1 GFGF NCCSSCCNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F 618007624 IPMVDCRUTBTFCX-UHFFFAOYSA-N 390.456 2.961 50 1 GFGF C=C1C(=O)O[C@H]2[C@H]1CCC(/C=N/NC(=O)NC(C)(C)C)=CCC[C@@]1(C)O[C@@H]21 1911574660 NGPVINHTBKPBRU-UWBAKREUSA-N 375.469 2.826 50 1 GFGF CC(C)(N)CNC(=O)NC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49680064 AYBZBSMETZAVEU-UHFFFAOYSA-N 393.528 2.793 50 1 GFGF COc1ccc(OC)c([C@]2(CCl)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963513173 ZJCMMRWKUXPHNA-OXJNMPFZSA-N 391.851 2.799 50 1 GFGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3cnn(CCCl)c3)N12 962670953 RIIJNSQSWWFFNX-YLJYHZDGSA-N 384.867 2.858 50 1 GFGF COC(=O)[C@@H]1[C@H](OC(=O)Nc2cccc(N=C=S)c2)C[C@H]2CC[C@H]1N2C 100737979 LPOMDZXSJNUSGX-FPCVCCKLSA-N 375.450 2.994 50 1 GFGF COc1ccc2c(c1)[C@H](c1cc(B(O)O)ccc1OC(C)C)N(C(C)C)CC2 962094087 VVSCAIBBZBAUTP-JOCHJYFZSA-N 383.297 2.518 50 1 GFGF COC(=O)c1ccccc1C1=C([N+](=O)[O-])[C@@H](c2ccccc2)C(C#N)=C(N)O1 6040489 NBJPQWIOYNFAGB-INIZCTEOSA-N 377.356 2.926 50 1 GFGF N#CC1=C([C-](C#N)C#N)N[C@@](O)(C2CC2)[C@@H]([n+]2ccccc2)[C@@H]1c1ccccc1F 195470466 DBMPXHGIQYCLJL-AKIFATBCSA-N 399.429 2.539 50 1 GFGF C/C(=N\NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 1857645749 GDRMVJDXBUPVKW-UVFHJLJLSA-N 388.374 2.859 50 1 GFGF CC(=O)O/C=C(/C=C/OC(C)=O)[C@H](C/C=C(\C)C#C/C=C(\C)C=O)OC(C)=O 166241209 HWMRDXWSLUIIGO-BWIZACHYSA-N 388.416 2.927 50 1 GFGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)CCN4)cc(OC)c1OC 1857771298 DNAGQXAIPLCEOX-IBGZPJMESA-N 379.416 2.899 50 1 GFGF C[C@@H]1CC(C)(C)N[C@@H](CCO[P@@](N)(=O)N(CCCl)CCCl)O1 26826305 YQMIAZVMXFJZGK-ZRUHOGSISA-N 376.265 2.743 50 1 GFGF O=CC1=COc2ccc(F)cc2[C@@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963224235 IJBYUUYYYGOWGN-UGKGYDQZSA-N 390.370 2.692 50 1 GFGF C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(-n2ccnc2)cc1 4863589 IUXBGOHTQLAKMA-WSDLNYQXSA-N 376.342 2.628 50 1 GFGF Nc1ccc(Oc2ccc3nc(CCNC(=O)CBr)[nH]c3c2)cc1 586971113 LXDWSCGKTUSUKB-UHFFFAOYSA-N 389.253 2.991 50 1 GFGF C=C1C(=O)O[C@H]2[C@H]1CCC(/C=N/NC(=O)Nc1cccnc1)=CCC[C@@]1(C)O[C@@H]21 1911579527 LDBJWVCPZNVIIN-WWCOSBPPSA-N 396.447 2.945 50 1 GFGF C=C[C@@]1(C)[C@H](NC)[C@]2(O)C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1Cl 2356864857 WAPKKACBPXEWEA-HMRHVSHDSA-N 390.911 2.868 50 1 GFGF NNC(=O)c1cnn(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1C(F)(F)F 957619748 LUJRMMQFETWLON-UHFFFAOYSA-N 398.326 2.526 50 1 GFGF O=C(CCl)N[C@@H]1CCCCN(Cc2ccc(OC(F)(F)F)cc2)C1=O 199410323 AZBYQWMHMZDJBY-CYBMUJFWSA-N 378.778 2.821 50 3 GFGF CCN1N=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Cl)C1=O 587707686 WFRNRODSJSFPPG-MIUALZABSA-N 388.668 2.773 50 1 GFGF COc1cc(CNC(=O)CCCCCCCc2ccccc2)ccc1B(O)O 653702293 RDYFCDGWVPAYLE-UHFFFAOYSA-N 383.297 2.575 50 1 GFGF CN(C)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(O)cc3O)sc2c1 299830770 OOZIUFVKIHJXKJ-DJKKODMXSA-N 385.449 2.925 50 1 GFGF COc1c(B(O)O)cccc1-c1nc2ccc3n[nH]cc3c2cc1-c1ccncc1 1857583181 CUSFBVMHPUWDLN-UHFFFAOYSA-N 396.215 2.529 50 1 GFGF CC1=CC(=O)[C@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O 101588363 QHHLSHYRRUPUFX-KHVISUPTSA-N 381.900 2.595 50 1 GFGF N#Cc1ccc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)cc1 473170857 SBWVSDXEAWPDDR-UHFFFAOYSA-N 379.825 2.686 50 1 GFGF COC(=O)[C@]1([C@@H](C)Br)NCCc2cnc3c(OC)cccc3c21 963045476 GDVYTBKEXHNRIY-BMLIUANNSA-N 379.254 2.541 50 1 GFGF CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)/N=N/c1ccc(C(C)=O)cc1 103294132 JMNCMEOQFXBJQN-CWJYSFMFSA-N 382.420 2.799 50 1 GFGF Cn1nc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccc1=O 195313000 SBDFMRRWSMHJHD-UHFFFAOYSA-N 378.548 2.857 50 1 GFGF C[C@H]1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@H](O[C@@H]1OC(=O)CCC(=O)O)O4 101330334 FIHJKUPKCHIPAT-ZHAFUULPSA-N 384.425 2.602 50 1 GFGF O=C(O)CCC/C=C/C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNNC(=O)Cc1ccccc1 26495588 IHDLJEAGHHZBRF-URXXEUQSSA-N 386.492 2.845 50 1 GFGF NNC(=O)c1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587168077 RYHKRFQBGDBFRU-INIZCTEOSA-N 382.399 2.675 50 1 GFGF Cc1csc2ncn(CC(=O)N/N=C/c3ccc(Cl)c(F)c3)c(=O)c12 73138633 SFRWBIKEZSLOFZ-DENHBWNVSA-N 378.816 2.709 50 1 GFGF COc1ccc(Cl)cc1C#Cc1cnn(Cc2cccc(C(=O)NN)c2)c1 587908764 BEXGDDJCWSVBAG-UHFFFAOYSA-N 380.835 2.597 50 1 GFGF COC(=O)[C@H]1[C@@H](OC(=O)Nc2cccc(N=C=S)c2)C[C@H]2CC[C@H]1N2C 169370048 LPOMDZXSJNUSGX-LVQVYYBASA-N 375.450 2.994 50 1 GFGF C=CCOC(=O)N[C@H](c1ccc(F)c(F)c1)[C@H](C(=O)CCl)C(=O)OC 8689824 ORWDTNZMDJHHLX-UONOGXRCSA-N 375.755 2.515 50 1 GFGF O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)N/N=C/c1cccc(O)c1 73138522 LYVHNWGDJPNVDS-LSHDLFTRSA-N 396.472 2.583 50 1 GFGF C=C(CCl)[C@@H]1CCC2=C[C@@H](C[C@@](C)(O)[C@@H](O)c3cc(C=O)c(o3)C1)OC2=O 2356805139 VEJQZTYJCRVZSZ-YCUKXQBPSA-N 394.851 2.866 50 1 GFGF COc1cc(Br)c(/C=N/NC(=O)c2ccccc2O)cc1OC 7950464 ZIVNSBBSRTVQAR-GIJQJNRQSA-N 379.210 2.936 50 1 GFGF CC1(C)C[C@H](NC(=O)N[P@@](=O)([N@]2CC2(C)C)[N@@]2CC2(C)C)C(C)(C)N1[O] 1857621912 AAQWQQHATJQPFW-QRLLGGNISA-N 386.457 2.559 50 1 GFGF COc1cc(C#N)c(NC(=O)NCCSSCCN(C)C)cc1OC 618007883 SPFDNQNVXQVOIY-UHFFFAOYSA-N 384.527 2.640 50 1 GFGF C/C(=N\NC(N)=O)c1ccc2ncc([C@H](C)c3cc4cccnc4cc3F)n2n1 96169142 SPWGLFJIRYKTIY-AZFWPXOISA-N 391.410 2.961 50 1 GFGF NNC(=O)c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587083072 ZZLYJXFEROGQRK-UHFFFAOYSA-N 382.811 2.720 50 1 GFGF O=C(CCl)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCl)ccc1C2=O 49878380 MKVRAGYBTIZOIV-UHFFFAOYSA-N 391.210 2.817 50 1 GFGF in-vivo CCOc1cc(/C=N/NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)ccc1O 103209032 GVLDWVWYFFTESI-SSDVNMTOSA-N 394.431 2.593 50 1 GFGF O=C(O)CCC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49745666 ZXUFQZLZCLWQEF-UHFFFAOYSA-N 393.480 2.985 50 1 GFGF CCN1N=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](Cl)C1=O 587702699 DZFLUGVIRXOERG-RPAKXZQJSA-N 388.668 2.773 50 1 GFGF C[C@H](C(=O)N/N=C/c1ccco1)N1C(=O)c2ccccc2N[C@@H]1c1ccco1 1772616678 FZWBZYXKXOXVKU-YGSFLGPOSA-N 378.388 2.978 50 1 GFGF CC1=C(CCCl)C(=O)N2CCC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)[C@H]2N1 587375277 KVAQWSABNDMAGZ-VQTJNVASSA-N 389.883 2.736 50 1 GFGF CCOc1nc(/N=N/N(C)C(=O)Oc2ccc(C(=O)OC)cc2)nc2[nH]cnc12 1772583816 MGAGWAONAAGHJY-GHVJWSGMSA-N 399.367 2.668 50 1 GFGF O=C(CCl)Nc1cccc([C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 1857651893 RHBOVPKAIBJEDB-INIZCTEOSA-N 376.796 2.916 50 1 GFGF O=C(NNS(=O)(=O)c1ccccc1)c1cc2cc(Br)ccc2[nH]1 40564490 VXMNBGNEIRUIFQ-UHFFFAOYSA-N 394.250 2.554 50 1 GFGF CC(=N)Nc1cccc(C(=O)NNC(=O)C[C@H](CC(=O)O)c2ccccc2)c1 13862968 JXVSJECJQNIGDS-MRXNPFEDSA-N 382.420 2.505 50 1 GFGF COc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 16510060 JBFVXLZORCCKMJ-UHFFFAOYSA-N 381.344 2.938 50 1 GFGF CN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](Cl)C1=O 587333037 UVQGYTAKNVMAOM-KVSKMBFKSA-N 388.782 2.694 50 1 GFGF CCCN1C(=O)/C(=N\NC(=O)c2cccnc2)c2cc(Br)ccc21 100180656 FALSGUCWDMXJMF-HKWRFOASSA-N 387.237 2.735 50 3 GFGF O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)N/N=C/c1ccc(O)cc1 73168284 QXVMWPLEZWGQBJ-LSHDLFTRSA-N 396.472 2.583 50 1 GFGF COc1ccc(Cl)c2c1CCN[C@]2(CBr)c1ccnc(N)n1 963256832 FZESVXVUHTXEMR-OAHLLOKOSA-N 383.677 2.505 50 1 GFGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](CBr)(c2ccncc2)N1 963237782 UNZKQWAZWDSEPB-IEBWSBKVSA-N 398.260 2.867 50 1 GFGF CC(C)=CC[C@H]1C(=O)C(C(=O)C(C)C)=C(O)[C@@]1(O)C(=O)/C=C/C(C)(C)OO 1642676402 BSHBTLJFSZGLLX-JLWJJTIXSA-N 380.437 2.703 50 1 GFGF COC(=O)[C@]1([C@@H](Cl)C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587688293 KUWCBHCTDKAUMX-CRPZRDSHSA-N 392.652 2.687 50 1 GFGF COc1ccc2c([C@@H]3CC(=O)C4=C(C3)OC(N)=C(C#N)[C@H]4C)cc(=O)oc2c1 95564111 PEFRIZYUAGLOKN-GHMZBOCLSA-N 378.384 2.862 50 1 GFGF C[C@@H]1CC[C@H]2[C@](C)(O)[C@H](OCC(F)(F)F)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169339994 LDFCALDHKZTKRF-RYXCCCNNSA-N 382.375 2.888 50 1 GFGF COC1=C/C(=C/NNC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)C=C(Br)C1=O 263592047 LZQLJHQICKHTHO-SJRSYMCYSA-N 381.270 2.709 50 3 GFGF O=C(CCBr)NCC1=Cc2ccccc2O[C@]1(O)C(F)(F)F 473091809 ZIVYTQLEHURVJH-ZDUSSCGKSA-N 380.160 2.615 50 1 GFGF CCCOc1cc(B(O)O)cc([C@H]2c3ccsc3CCN2Cc2ccco2)c1 962700127 BTYSAEIQENVHGA-NRFANRHFSA-N 397.305 2.957 50 1 GFGF COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1OC 13586125 AKZDJWRWIRASDK-HXUWFJFHSA-N 381.432 2.997 50 1 GFGF Cc1cc(C(F)(F)F)nc2sc(C(=O)N/N=C/c3cncn3C)c(N)c12 71316890 XPINLEGEJDNVRV-IGCPIRJNSA-N 382.371 2.703 50 1 GFGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc[nH]c(=N)n1)CC2=O 587456315 NEPBIQIFNFSMPY-QGZVFWFLSA-N 392.253 2.803 50 1 GFGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCCN4)cc(OC)c1OC 1857773023 LQIWKGXQUITMNP-LJQANCHMSA-N 395.415 2.735 50 1 GFGF COC(=O)C(=O)[C@H](Cl)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687377 GJQKIYLOEFDLCW-QWPQFENESA-N 392.652 2.687 50 1 GFGF CC(=O)N(C)Cc1ccc([C@@]2(CCl)NCCc3c(C(=O)O)cccc32)cc1 963153702 WFSZYIDEXOYEMF-OAQYLSRUSA-N 386.879 2.991 50 1 GFGF CCCN1[C@H](C)Cc2ccccc2C12CCN(Cc1ccccc1B(O)O)CC2 963228775 JBJDBCBKKTXCFC-LJQANCHMSA-N 392.352 2.514 50 1 GFGF NC(=O)c1cncn1CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 44086624 JCGACLJSKBRWBT-UHFFFAOYSA-N 387.480 2.999 50 1 GFGF C=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1OC(C)=O)[C@]1(C)C(C=O)=CCC[C@H]1C 2356610132 VESURABEAQPDNY-LHIXLDLJSA-N 390.432 2.798 50 1 GFGF CC(=O)OC[C@]1(C)[C@H]2C[C@H](O)[C@]34C=C(C=O)[C@H](CC[C@@H]3[C@]2(C)CC[C@H]1O)C4 95908921 IIOXAOGAOJDHDX-BNUDRCGVSA-N 376.493 2.639 50 1 GFGF biogenic,in-vitro N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCN2CCOCC2)n1 13647719 UGSZLOMNCCDAFR-NBVRZTHBSA-N 380.477 2.631 50 1 GFGF CCCCNc1nc(NNC(=O)c2ccncc2)nc(Nc2ccccc2)n1 58602978 QHXNULUFDISGQD-UHFFFAOYSA-N 378.440 2.979 50 1 GFGF C[C@]12C(=CC(=O)C[C@@H]1CCl)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)O 253848727 BBGSHFCBCBCOLV-HXKYETJTSA-N 396.911 2.770 50 1 GFGF CC(C)(CCl)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 13605979 HUYJRVYMSFQXLG-UHFFFAOYSA-N 377.849 2.811 50 1 GFGF O=C(NCCCCl)Nc1ccc(S(=O)(=O)Oc2ccc(O)cc2)cc1 95554374 MAQXUVURRGSCKM-UHFFFAOYSA-N 384.841 2.910 50 1 GFGF CN(C)C(=O)[C@H](Cl)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544881 PLNACAMFIIBTRQ-DKSSEZFCSA-N 375.808 2.808 50 1 GFGF Nc1ncnc2c1c(-c1ccccc1)nn2CCn1cc(CCCCl)nn1 66074406 RVFFAHTYIFSZNB-UHFFFAOYSA-N 382.859 2.539 50 1 GFGF C[C@@H]1CC[C@H]2CC(=O)N(CC(=O)OC(C)(C)C)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43889027 BIKZMEXJYGKVFM-IGSOHCJCSA-N 381.469 2.776 50 1 GFGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(OCCCN(C)C)cc1 95809067 VPNQSTDHIHDAIG-OQKWZONESA-N 391.512 2.981 50 1 GFGF CCCN1[C@@H](C)Cc2ccccc2C12CCN(Cc1ccccc1B(O)O)CC2 963228774 JBJDBCBKKTXCFC-IBGZPJMESA-N 392.352 2.514 50 1 GFGF O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCBr)c1ccccn21 473124852 XKBVMLDIBSWFFT-UHFFFAOYSA-N 399.200 2.661 50 1 GFGF CSc1ccc([C@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CCC3)cc1 5433259 JXMCMYOBUWFWDY-INIZCTEOSA-N 378.461 2.831 50 1 GFGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@@H]1c1ccc(O)cc1 103206147 AAPZLCJHWQNVLK-HIFRSBDPSA-N 376.199 2.893 50 1 GFGF O=C(O)COc1ccc(/C=N\NC(=O)c2ccccc2Br)cc1 33305112 IDMAJPJOLBLADK-NVMNQCDNSA-N 377.194 2.676 50 1 GFGF CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)c1 95809307 WWPLDVXEAHXCKC-CIAFOILYSA-N 398.419 2.917 50 1 GFGF CCOC(=O)C[C@]1([C@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587415539 ULDNHXMHSUSSAF-DKRRZFASSA-N 383.238 2.918 50 1 GFGF O=C1OC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc3cccc1c23 95584025 SSICNSUBIIVXDD-UHFFFAOYSA-N 398.352 2.859 50 1 GFGF O=C(CCl)N[C@H]1CCCCN(Cc2ccc(OC(F)(F)F)cc2)C1=O 199410304 AZBYQWMHMZDJBY-ZDUSSCGKSA-N 378.778 2.821 50 3 GFGF CCCOc1ccc(CN/C(=C(/C#N)C(=O)OCCOCC)C(C)C)cn1 34587439 ZDNWZXOGVMWWIT-ZPHPHTNESA-N 375.469 2.973 50 1 GFGF CC(=O)OC1=C(C[C@H](Br)C(C)(C)O)C(=O)c2ccccc2C1=O 3637515 CYGNKKPVRRKGOD-ZDUSSCGKSA-N 381.222 2.807 50 1 GFGF CN(C)CCSSCCNC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1 618008272 WRJSEPIHVDFXTR-ZDUSSCGKSA-N 382.473 2.798 50 1 GFGF COc1cc(-c2[nH]nc3c2[C@@H](c2ccco2)C(C#N)=C(N)O3)cc(OC)c1OC 8565989 WCWOLFUPUYKPNQ-OAHLLOKOSA-N 394.387 2.914 50 3 GFGF C[C@]12C(=CC(=O)C[C@@H]1CCl)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@H]1CC[C@]2(O)C(=O)O 253848736 BBGSHFCBCBCOLV-VGAQQYEKSA-N 396.911 2.770 50 1 GFGF C[C@@H]1C[C@@H](OCCCl)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40410970 MNXHJJRSULXTFF-BXUZGUMPSA-N 387.267 2.920 50 1 GFGF NNC(=O)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587076056 HJZYUCNFZGIGJU-UHFFFAOYSA-N 382.811 2.655 50 1 GFGF CC(C)c1ccc(/C=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)cc1 1857749800 ACWBPLWADXAIMP-CIAFOILYSA-N 399.472 2.821 50 1 GFGF COC(=O)[C@]1(CCCCl)NCC2(CCOCC2)c2cc(OC)c(OC)cc21 963182024 CHAAEFZFVVSFEQ-HXUWFJFHSA-N 397.899 2.743 50 1 GFGF O=C(OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@@H]21)c1cccc(Oc2ccccc2)c1 42764296 DUSDRKIBWMLPMJ-QWQQUQAHSA-N 394.379 2.739 50 1 GFGF COC(=O)[C@]1([C@H](C)Br)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962568151 LBJQBENQKHJQGP-RLFDGXBXSA-N 386.286 2.732 50 1 GFGF NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc2c(c1)CCO2 28355887 BEVPQKXOZWPXGP-UHFFFAOYSA-N 387.244 2.633 50 1 GFGF O=C(NCCCl)Nc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1 473153082 YJHKCUDYOYISQT-UHFFFAOYSA-N 399.812 2.723 50 1 GFGF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C(=O)C=C[C@]([C@@H](C)Cl)(C1)[C@H]23 2356407471 ZRGCDYXIJZMJLU-TUQOMBBFSA-N 384.863 2.965 50 1 GFGF CC(C)NC(=O)NNC(=O)c1cc(COc2cc(Cl)cc(Cl)c2)on1 4394386 DQCSENSFOIEBAB-UHFFFAOYSA-N 387.223 2.913 50 3 GFGF C#CCSc1nc(NNC(N)=O)c(C#N)c(-c2ccc(CC(C)C)cc2)n1 299857602 FPKYWIQRCGWDDJ-UHFFFAOYSA-N 380.477 2.934 50 1 GFGF COc1cc2c3c(c1)OC(CBr)(CBr)[C@@H](C2)C3=O 587415923 ZFWLRMDSAJTLOI-VIFPVBQESA-N 376.044 2.971 50 1 GFGF NNC(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587109892 PZPNDXRXAVTSBT-UHFFFAOYSA-N 379.298 2.684 50 1 GFGF O=c1cc(CCl)oc(CN2CCN(Cc3cc(F)ccc3F)CC2)c1O 96922717 QITJLVAZJABFBJ-UHFFFAOYSA-N 384.810 2.680 50 1 GFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O)O[C@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 70455577 FIHJKUPKCHIPAT-XDXBCFSMSA-N 384.425 2.602 50 1 GFGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCN3CCOCC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105675 RUBMZZJYUMBGHY-BWTDTTKRSA-N 381.513 2.959 50 1 GFGF COc1ccc2c(c1)[C@@](CC(C)C)(c1ccc(B(O)O)cc1)N(C(C)C)CC2 962093948 QTGVBFRABFDHNN-HSZRJFAPSA-N 381.325 2.931 50 1 GFGF COC(=O)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538321 PBIPJHLXGWKYNI-CXAGYDPISA-N 393.189 2.661 50 1 GFGF COc1ccc(Cl)cc1C#Cc1c(C(F)F)nn(CC(=O)NN)c1C1CC1 587914491 HDLYDKGGHZKRCG-UHFFFAOYSA-N 394.809 2.750 50 1 GFGF COC(=O)C1=CN(c2ccc3c(c2)OCO3)C(N)=C(C#N)[C@@H]1c1cccc(F)c1 95567832 BEZYDPGHTUPFHL-IBGZPJMESA-N 393.374 2.909 50 3 GFGF C[C@@H]1C[C@H](OCCCl)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] 40410964 MNXHJJRSULXTFF-RISCZKNCSA-N 387.267 2.920 50 1 GFGF O=C(CBr)NCCc1nc2cc(Br)c(F)c(F)c2[nH]1 586970489 BSGMRHJEUDHRLH-UHFFFAOYSA-N 397.017 2.657 50 1 GFGF CC1(C)C[C@H](Cl)C[C@@]2(C)[C@H]1C(=O)C[C@]1(C)O[C@H]([C@H]3CC(=O)NC3=O)C[C@@H]12 36434757 UJSKCGOTHYDOCV-LCIZUERQSA-N 381.900 2.836 50 1 GFGF C[C@@H]1OCC[C@H]1N(NC(=O)OC(C)(C)C)c1nc(C#N)ncc1Br 58660625 ZCSJZWWEJRJUMX-GXSJLCMTSA-N 398.261 2.534 50 1 GFGF CC1(C)C[C@@H](Cl)[C@@]23[C@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1ccccc14 2356494842 UVONJXOMGVTUQS-HJWMAQEXSA-N 382.851 2.944 50 1 GFGF O=C1[C@@H](Cl)[C@@H](c2ccccc2[N+](=O)[O-])N1/N=C/CCn1nnc2ccccc21 66258818 IIDHVYWJYYULTK-KOAYLJGYSA-N 398.810 2.906 50 1 GFGF CC(C)(N)C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49767097 ZYYOAEOQHPPBGU-UHFFFAOYSA-N 378.513 2.857 50 1 GFGF C=C(C)COc1cc(C)c(F)c(C(=O)NNS(=O)(=O)c2ccccc2)c1 1857612295 LHSWJCXJQGILOC-UHFFFAOYSA-N 378.425 2.712 50 1 GFGF CN1C[C@H](NC(=O)N(CCCl)N=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 150016144 HWRIPHMKBGIJOB-XNRPHZJLSA-N 375.860 2.812 50 1 GFGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CCC(N)=O)cc1)[C@@H](C2)C3=O 587419819 ZTSTXULVJKZDKP-HRAATJIYSA-N 385.847 2.995 50 1 GFGF NNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1 40401202 LBJMYNVKLCTMEK-UHFFFAOYSA-N 384.827 2.638 50 1 GFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 140734725 FIHJKUPKCHIPAT-KNIIBVRISA-N 384.425 2.602 50 1 GFGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCl)(c2cocn2)N1 962711300 SKYPFXPFKJCFMX-SMDDNHRTSA-N 378.709 2.914 50 1 GFGF