smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CO[C@](C)(C=C1C=C(C)C(=O)O1)C[C@H]1C=C(CCC(C=O)=C(C)C)C(=O)O1 2356464525 MSDPTAGLGJLKRT-WIYYLYMNSA-N 374.433 3.336 50 1 FGGF CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)O[C@H]([C@@](O)(CO)[C@@H](Cl)CO)C[C@H]21 238784380 UVTUWVZTALXLNU-BHNPYSKESA-N 374.949 3.100 50 1 FGGF COC(=O)C[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689472 SUENCXOKSJNTNM-RTHLEPHNSA-N 364.642 3.120 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCN3C=O)O2 587373575 RKBLYCTYLYKOAR-HXUWFJFHSA-N 370.836 3.196 50 1 FGGF CCOc1cc(C(=CC#N)c2ccc(S(C)(=O)=O)cc2)ccc1OC 1857623389 GVUSQUVPOHOCQF-UHFFFAOYSA-N 357.431 3.453 50 1 FGGF NNC(=O)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587244589 PXOZGCPANYBNTO-UHFFFAOYSA-N 371.400 3.086 50 1 FGGF CCOC(=O)[C@H](Cl)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587687735 HLSQGXIEJGAGAI-YLJLNXRRSA-N 364.642 3.334 50 1 FGGF Cc1ccc(-c2ccc(/C=C(\C#N)c3n[nH]c(N)c3C#N)o2)c([N+](=O)[O-])c1 40411919 HUMBLCWQZIYHDB-YRNVUSSQSA-N 360.333 3.404 50 1 FGGF Cc1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2n1 587009915 XHEMWBAKYBYBQT-INIZCTEOSA-N 367.840 3.386 50 1 FGGF O=C1C[C@]2(CCOC[C@H]2Br)Oc2c1ccc1c2CCCC1 587500510 XIYBACYPABNRFS-WBVHZDCISA-N 351.240 3.453 50 1 FGGF CNCC1=C(C(F)(F)F)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 103187411 AFRLPSKDVRANNA-AQHRXDFISA-N 363.376 3.268 50 1 FGGF CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495801 FZVMFEHMCLWLBI-HKUYNNGSSA-N 364.825 3.029 50 1 FGGF CC1(C)CCC2=C(O1)c1ccccc1/C(=N/NC(=O)c1ccncc1)C2=O 1857594449 STWKKPSKSIDMCF-QJOMJCCJSA-N 361.401 3.099 50 1 FGGF O=C(N/N=C/c1ccncc1)c1cnc2c(C(F)(F)F)cccc2c1O 73281492 RBNLIJIPGJFHOS-LIMNOBDPSA-N 360.295 3.118 50 1 FGGF O=C(Cc1ccc(F)cc1)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21 72179492 ZRLOINREQKIEPD-UHFFFAOYSA-N 366.179 3.148 50 1 FGGF CC[C@H](OCCCCNCCSS(=O)(=O)O)C1CCCCC1 26821312 SWIWTGCCJDTXLT-HNNXBMFYSA-N 353.550 3.268 50 1 FGGF CN(C)CCSSCCCNC(=O)c1cc(-c2cccs2)on1 618017157 GVUDDLXPVVPOEI-UHFFFAOYSA-N 371.553 3.466 50 1 FGGF Cc1ccc(C(=O)Nc2cccc(C(=O)NNC=C3C=CC(=O)C=C3)c2)cc1 15885224 DJTRMFLGHLZWRA-UHFFFAOYSA-N 373.412 3.061 50 3 FGGF CC(C)NC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccc(F)cc1 472791573 GZQNGWKFIKGEJL-UHFFFAOYSA-N 361.804 3.381 50 1 FGGF O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccs2)c1 1857590518 YLRKNBCBAVRUME-UHFFFAOYSA-N 358.444 3.038 50 1 FGGF C[C@@H]1O[C@]23C[C@H](c4ccc(Br)cc4)OC(=O)C2=C[C@@]1(C)OO3 96934008 ZSQJJSGOMNLPIP-CIGJXOAISA-N 367.195 3.199 50 1 FGGF CC(C)N1N=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Cl)C1=O 587496268 AWFPOEIRALOBAT-MJGOQNOKSA-N 360.841 3.113 50 1 FGGF NNC(=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587196818 XIXLOZAWXDAKST-UHFFFAOYSA-N 371.444 3.373 50 1 FGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(CCl)nc1 587887235 GTHMKXCBUGHHME-UHFFFAOYSA-N 368.651 3.233 50 1 FGGF CCCCC/C=C/C(=O)C[C@H]1C2=COC(C)=CC2=C(C=O)C(=O)[C@]1(C)O 1857768439 KDHOZPICTCLGDU-PYVMNZDGSA-N 358.434 3.345 50 1 FGGF COc1ccc2c3c1O[C@@H]1[C@H](O[Si](C)(C)C)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 199711982 RXSDDUCBUIPWHI-OJSCBBQISA-N 371.553 3.360 50 1 FGGF in-vitro COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCl 587621676 HDWWBZZNTPEDJN-UHFFFAOYSA-N 356.607 3.375 50 1 FGGF CC1=C(CCCl)C(=O)N2CCc3c(nc4cccc5c4c3CC5)[C@H]2N1 587209026 GCIIQSWGOFSHGZ-IBGZPJMESA-N 353.853 3.223 50 1 FGGF COC[C@]1(CCl)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963170240 IUCFVNXKZVHUAR-RNCFNFMXSA-N 372.170 3.038 50 1 FGGF COCCN(C)c1n[nH]c2ccc([C@@H]3C(C#N)=C(C)N=C(C)[C@H]3C#N)cc12 226386798 RWBZQZPFIBQLJC-APWZRJJASA-N 362.437 3.141 50 1 FGGF O=C(CBr)NCc1cc(-c2ccc(Br)cc2)no1 95554565 FPFPNXPANXPZOV-UHFFFAOYSA-N 374.032 3.115 50 1 FGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](Br)C=O)N1 587671233 PUYFQAXLWCBKLH-CXTDYRRUSA-N 365.040 3.126 50 1 FGGF Cc1cc(Cl)ccc1OCCCc1nc2ccc(C(=O)NN)cc2[nH]1 587066338 LOPHFBQXEXGOKQ-UHFFFAOYSA-N 358.829 3.140 50 1 FGGF COc1cccc(C(=O)N/N=C2/C(=O)N(CC=C(C)C)c3ccccc32)c1 1857765207 DBQHUNIFHPCZAV-ZBJSNUHESA-N 363.417 3.142 50 1 FGGF O=C(CCCCC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1)NO 95809784 DJSSAANWSZTLQY-YBFXNURJSA-N 363.801 3.116 50 1 FGGF CN(C)CCSSCCNC(=O)c1ccc(C(F)(F)F)cc1 618008764 KFTBDQMQHZHXIR-UHFFFAOYSA-N 352.447 3.378 50 1 FGGF C=C(CCCC(C)=O)[C@H](C(=O)O)[C@H](CC=O)/C(C=O)=C1/C=CC(C)(C)O1 166760071 PBCDWCPMWSNXJT-GNOIWROCSA-N 362.422 3.026 50 1 FGGF O=C1C[C@@](/C=C/N2CCOCC2)(CCl)Oc2c1ccc1c2CCCC1 587499586 WBDXJGNEAWTGCH-DUIUGDAFSA-N 361.869 3.354 50 1 FGGF O=C(O)c1ccc(C=NNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 263590490 MMBPWUWNMLLXOS-UHFFFAOYSA-N 368.780 3.192 50 3 FGGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3ccccn3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 195306587 VUFWDQIDRMHCAU-QDTIDGEISA-N 372.465 3.276 50 1 FGGF CN(C)CCSSCCCNC(=O)c1cc(C2CCCC2)no1 618017730 OTCVHIVMAQWGKJ-UHFFFAOYSA-N 357.545 3.395 50 1 FGGF COc1cc2c3c(c1)O[C@](CBr)(C(C)(C)OC)[C@@H](C2)C3=O 587414470 MKNKVPXVRZUOQY-ZBEGNZNMSA-N 355.228 3.001 50 1 FGGF CC(C=CC=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O 2356661118 YHMYMBINWXFRSP-UAZVEYKWSA-N 374.477 3.315 50 1 FGGF CC1=C(c2ccc3nc(/C(C#N)=C\c4ccccc4)[nH]c3c2)NNC(=O)C1 587188341 QEFZZRBPWGUMLQ-YBEGLDIGSA-N 355.401 3.383 50 1 FGGF C=C(C=O)[C@H]1Oc2ccc([C@H](C)OC(C)=O)cc2[C@@H]1OC(=O)CC(C)C 238750923 XQHWUPXUEFPMSI-SVIJTADQSA-N 360.406 3.457 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](/C(C#N)=C/N(C)C)(c1cccs1)O2 587412692 KCRWKMHVFSTJKV-BPOBUFBUSA-N 353.447 3.469 50 1 FGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnc(O)[nH]2)N1 587685245 OSKLEQKOFSJCHW-WJWGPLDTSA-N 374.641 3.034 50 1 FGGF COc1ccc(Cl)cc1C#Cc1ccccc1-n1nnnc1CCl 587902884 RJSIPUAADJBHBQ-UHFFFAOYSA-N 359.216 3.463 50 1 FGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(N(C)C=O)cc1)[C@@H](C2)C3=O 587419700 XZLHPCWRAKCYAE-OXJNMPFZSA-N 371.820 3.170 50 1 FGGF Oc1nc(NCc2ccccc2)c2nc(/C=C/CBr)nc-2[nH]1 586974556 XUZGQWHELOOFQM-QPJJXVBHSA-N 360.215 3.030 50 1 FGGF CC1=C(CCCl)C(=O)N2CCc3c(nc4cccc5c4c3CC5)[C@@H]2N1 587209027 GCIIQSWGOFSHGZ-LJQANCHMSA-N 353.853 3.223 50 1 FGGF COc1cc(/C=N/N(C)C(=O)OCc2ccccc2)cc(OC)c1OC 299837196 JMRALVLQIXNDMP-UDWIEESQSA-N 358.394 3.315 50 1 FGGF CCCOc1ccc(/C=N\NC(=O)CSc2ccccn2)cc1OC 33360471 MPRZGJDJVANJAL-NDENLUEZSA-N 359.451 3.121 50 1 FGGF Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 1001081 HERSWIOECWDNDF-RQZCQDPDSA-N 356.363 3.384 50 3 FGGF O=C(NNC(=O)c1ncc(Cc2ccsc2)s1)Nc1ccccc1 82155607 ZSZPUMCIMLDZCT-UHFFFAOYSA-N 358.448 3.262 50 1 FGGF C[C@H]1O[C@]23C[C@H](c4ccc(C(F)(F)F)cc4)OC(=O)C2=C[C@@]1(C)OO3 96934027 ZHHRIFKTPFTONY-BBDZHYCFSA-N 356.296 3.455 50 1 FGGF COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccn1 299865652 OBVIWCGGDNCHMK-OEAKJJBVSA-N 374.400 3.106 50 1 FGGF O=C(NNCCO)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1 35001629 NHVQEEKEYFFBDN-UHFFFAOYSA-N 361.854 3.199 50 1 FGGF CCOC(=O)[C@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963105324 IJFXTDDCQARRHG-CYBMUJFWSA-N 367.070 3.292 50 1 FGGF C[C@@H]1CC[C@H]2C(CO)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103183669 IFOMHSYMHBFAAX-MOJIGAAESA-N 350.333 3.041 50 1 FGGF CCCCC(Br)(Br)[C@@H](O)CBr 14769557 GNBHDYSYXZBDPQ-LURJTMIESA-N 352.892 3.419 50 1 FGGF biogenic Nc1c(-c2ccc(Cl)cc2)n[nH]c1C(=O)N/N=C/c1ccc(F)cc1 653706702 KDIFYKOSQMGYBQ-ZVBGSRNCSA-N 357.776 3.215 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)NC(=O)CO3)O2 587373775 SJQWFUVVVVJWSY-LJQANCHMSA-N 372.808 3.008 50 1 FGGF NNC(=O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052752 LAYBRLUFXMMXOJ-UHFFFAOYSA-N 351.797 3.278 50 1 FGGF CS(=O)(=O)N1C[C@@H](CCl)c2ccc(OCc3ccccc3)cc21 27430192 ZDHXDSIOQZSTPP-CQSZACIVSA-N 351.855 3.368 50 1 FGGF C[C@@]12CCCC(/C=N/NC(=O)c3ccncc3)=C1C(=O)O[C@H]2c1ccoc1 103288534 LMBWAPFKQOULGI-ZQUFOJLJSA-N 365.389 3.175 50 1 FGGF O=[N+]([O-])c1ccc2c(c1)N[P@@](=O)(N(CCCl)CCCl)OC2 27526500 VSIHRFPBBCZTCY-NRFANRHFSA-N 354.130 3.425 50 1 FGGF O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(F)cc2F)ccc1O 221353496 CZCRAQKVOMWDRG-FOKLQQMPSA-N 353.328 3.496 50 1 FGGF O=C(O)c1cc(Br)cc2nc(/C=C/CBr)[nH]c12 586972666 ZATCIOSHQXTOLI-OWOJBTEDSA-N 360.005 3.432 50 1 FGGF Oc1ccc2c3c1O[C@H]1[C@H](N=C=S)CC[C@H]4[C@H](C2)N(CC2CC2)CC[C@@]341 169365210 UZLGTUXGAQFLIF-OBRACTJBSA-N 368.502 3.313 50 1 FGGF CCOC(=O)/C(C#N)=C1/C=CC(C#Cc2cc(Cl)ccc2OC)=CN1 587913233 ZYKMCNMYVMYSPF-MSUUIHNZSA-N 354.793 3.084 50 1 FGGF Nc1sc(-c2ccccc2)cc1C(=O)NN=Cc1ccc2c(c1)OCO2 958585554 OQZUGVJRVHRNAP-UHFFFAOYSA-N 365.414 3.490 50 1 FGGF CCOC(=O)[C@H](Cl)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587688755 NVXSFABFWKGVOT-BLBGDKDGSA-N 364.642 3.334 50 1 FGGF NCCSSCCCC(=O)N1CCN(c2cccc(Cl)c2)CC1 618007699 LTTQHHFAIFVHKA-UHFFFAOYSA-N 373.975 3.109 50 1 FGGF COC(C)(C)[C@H](Br)c1nc2cnc(C(F)(F)F)[nH]c-2n1 586971458 SDVNPNHRRHFWFH-ZCFIWIBFSA-N 353.142 3.184 50 1 FGGF COc1cccc(/C=N\NC(=O)CSc2cccc3cccnc23)c1 33295219 YIXAOCWRGPSSCX-MTJSOVHGSA-N 351.431 3.486 50 1 FGGF C[C@](Cl)(C=CBr)[C@@H]1C[C@@H](Br)[C@@](C)(O)CO1 2356522135 XIOPKILEHGQSHY-KATARQTJSA-N 362.489 3.196 50 1 FGGF COc1ccc2c(c1)c1c(n2C)[C@H]2C[C@@H]3C(C=O)=C(C)OC[C@H]3[C@@H](C1)N2C 14719761 HDNASRQCNMQTQY-CVDLLHPYSA-N 366.461 3.224 50 1 FGGF biogenic CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cncc(Br)c1 13586206 AODKWCUTXXRCOL-INIZCTEOSA-N 371.238 3.128 50 1 FGGF COc1ccc(C(=O)N/N=C2/C(=O)N(CC=C(C)C)c3ccccc32)cc1 1857772691 RDPZQWZSWVLPAA-ZBJSNUHESA-N 363.417 3.142 50 1 FGGF COC(=O)C1=C[C@]2(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]3(C)C2=CC1=O 43911328 KJTMTSFLOUDCBH-JHVJFLLYSA-N 353.418 3.076 50 1 FGGF C=C1C[C@@]2(C(=O)OC)C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)OC(=O)[C@H]21 2356634942 OZTYHGQEMFWVSF-JBEYIYMOSA-N 360.450 3.418 50 1 FGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(CCl)=CC2=O)N1 587687294 ZQFPDDUGBDFFND-GLEZIHRCSA-N 374.637 3.040 50 1 FGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnc(O)[nH]2)N1 587686990 YJEYAGJAJOPLLB-NXSYQRQQSA-N 374.641 3.034 50 1 FGGF Cc1sc2c(c1C)CCN[C@@]2(CCl)c1ccc2c(c1)NC(=O)CO2 963004280 BPHKKJVQWSEELY-SFHVURJKSA-N 362.882 3.324 50 1 FGGF CC[C@H](C(=O)NN)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12 13446001 NLIPULSKNMOCPN-KRWDZBQOSA-N 351.450 3.490 50 1 FGGF O=C(NNc1nncc(-c2ccc(Cl)cc2)n1)C(Cl)(Cl)Cl 1842281 GUPNEYQEWXBSLN-UHFFFAOYSA-N 367.023 3.005 50 1 FGGF CC(C)CN(NC(=O)OC(C)(C)C)c1nc(C#N)ncc1Br 58568559 ONLIXTQJQHTQBL-UHFFFAOYSA-N 370.251 3.013 50 1 FGGF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1/C=N\NC(=O)c1ccncc1 653708679 NUURDOHIVPBHQJ-FBHDLOMBSA-N 370.796 3.157 50 1 FGGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@@]1(C)CC=C[C@](C)(OO)CCC2=O 2356411017 WPTRRIXCZXIQKN-IQLMPHEPSA-N 364.438 3.360 50 1 FGGF C=C1CC[C@@H]2C(=C)C(=O)O[C@H]2/C=C(\C)C[C@@H]2C=C(CC[C@H]1OO)C(=O)O2 44417824 VTUGHLCKKNSTAF-JUXQZVFASA-N 360.406 3.261 50 1 FGGF CCCN1N=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Cl)C1=O 587499148 LFZICUSXESKPPO-MJGOQNOKSA-N 360.841 3.115 50 1 FGGF O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccc(F)cc2)c1 1857546933 VTXTYDRUQLXWBL-UHFFFAOYSA-N 370.405 3.116 50 1 FGGF C=C1C(=O)O[C@H]2C[C@H]1CC[C@]1(C)O[C@@H]1CC[C@](C)(OO)C=CC[C@@]2(C)O 2356794840 IDJKTYXFVCMLQD-HFJXXIIPSA-N 366.454 3.151 50 1 FGGF Cc1cc(O)cc(O)c1/C=N/NC(=O)COc1ccc2ccccc2c1 711530 MYBQQNFLHZFXNA-SRZZPIQSSA-N 350.374 3.089 50 1 FGGF CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)cc1 1772642453 VPCCDDNSYZCEKX-PXLXIMEGSA-N 369.465 3.178 50 1 FGGF CC(C)[C@]12CC[C@]3(OO1)C(=CC[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O)[C@@H]2O 1772609385 JOMGSBOCDLGAEK-GECNCUIPSA-N 350.455 3.464 50 1 FGGF Cc1cc(NNC(=O)[C@@H]2O[C@H]2c2cccc([N+](=O)[O-])c2)nc2ccccc12 27988726 UHHXHEFOSSJUAL-ZWKOTPCHSA-N 364.361 3.035 50 1 FGGF C[C@@H]1C(=O)O[C@@H]2C[C@H]1CC[C@]1(C)O[C@H]1CC[C@](C)(OO)/C=C/C[C@]2(C)O 59930437 FHEAMGLYVLIVOJ-FNYJLWIPSA-N 368.470 3.231 50 1 FGGF CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H](N=[N+]=[N-])[C@H]1Br 49071928 SEEHGZFDYGBTEN-IINYFYTJSA-N 362.183 3.414 50 1 FGGF C[C@@H]1O[C@]23C[C@@H](c4ccc(Br)cc4)OC(=O)C2=C[C@@]1(C)OO3 96934006 ZSQJJSGOMNLPIP-XSBRKMSKSA-N 367.195 3.199 50 1 FGGF C[C@@H](c1ccc(CBr)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 586973138 FWTLNEVCAWNBJS-VIFPVBQESA-N 367.210 3.143 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)NC(=O)CO3)O2 587373773 SJQWFUVVVVJWSY-IBGZPJMESA-N 372.808 3.008 50 1 FGGF O=C(Cl)CCCC(=O)c1c(CO)oc2cc(Br)cnc12 587272927 DWSYMYXHUPSOBS-UHFFFAOYSA-N 360.591 3.201 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103104884 WEWYKNVABULCLM-WGCHMBTQSA-N 354.443 3.492 50 1 FGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cnccc2[nH]1 587009595 MZBLBYSBILZOJI-HNNXBMFYSA-N 353.813 3.078 50 1 FGGF CC[C@@H]1CN2CCc3c([nH]c4ccccc34)C2=CC1=C(C=O)C(=O)OC 2356786182 ZGSKSGGZSIKMEC-CYBMUJFWSA-N 350.418 3.075 50 1 FGGF CCn1ncc([C@]2(CCl)c3ccsc3CCN2Cc2ccco2)n1 962704078 IJGUDQDKJTYMFF-KRWDZBQOSA-N 362.886 3.493 50 1 FGGF CCC[C@H](O)CC=C(Cl)[C@H](O)C(Br)Br 2356800924 RGGZKQZEEGQAPA-XPUUQOCRSA-N 350.478 3.137 50 1 FGGF Cn1ccnc1[C@]1(CCl)NC2(CC2)Cc2ccc(Br)cc21 961744736 AKQBPHPSBBPTOV-MRXNPFEDSA-N 366.690 3.343 50 1 FGGF CC1(C)OC2=C(C[C@H]1I)C(=O)C(=O)c1ccccc12 223548699 OAYAUCMPKAGALG-LLVKDONJSA-N 368.170 3.166 50 1 FGGF Cc1cc(C(=O)NNC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)n[nH]1 33913263 URHUVRVQNKFPOE-UHFFFAOYSA-N 356.470 3.364 50 3 FGGF Cc1c(F)ccc2c1[C@](c1ccc3c(c1)NC(=O)CO3)([C@H](C)Cl)NCC2 962373758 JAWZXWLANRXJQM-FKIZINRSSA-N 374.843 3.482 50 1 FGGF COc1cc(C(=O)N/N=C/c2ccc(OC)c3ccccc23)ccc1O 13864061 MQVSQHUQOOXBBV-CIAFOILYSA-N 350.374 3.327 50 1 FGGF C/C=C(/C=O)[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC 6157997 NTVLUSJWJRSPSM-DMXKJVHASA-N 350.418 3.289 50 1 FGGF C[C@@H](C(=O)N/N=C1\SCC(=O)N1C)c1ccc(-c2ccccc2)c(F)c1 103200107 RAWCLNXTTLQNOT-JOKLBXFLSA-N 371.437 3.189 50 1 FGGF CO[C@@](C)(/C=C1/C=C(C)C(=O)O1)C[C@@H]1C=C(CCC(C=O)=C(C)C)C(=O)O1 13384201 MSDPTAGLGJLKRT-GBQQKYESSA-N 374.433 3.336 50 1 FGGF O=c1cc(CCl)oc(CN2CCN(c3ccc(Cl)cc3)CC2)c1O 103213513 MKFIGKJIYRGYAH-UHFFFAOYSA-N 369.248 3.060 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)[C@H](C)Cl)(c1ccccc1)O2 587370593 ANLVSJYFMUSZSZ-RBZFPXEDSA-N 372.852 3.181 50 1 FGGF O=C(NN=Cc1ccc(N(CCCl)CCCl)cc1)c1cccnc1 254100992 COVXLRKMGDYPCL-UHFFFAOYSA-N 365.264 3.130 50 3 FGGF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(C(C#N)=C1Nc3ccccc3N1)NCC2 962923584 IGNWJWWKKVPAJZ-QFIPXVFZSA-N 373.460 3.022 50 1 FGGF COc1cccc2cc3c(nc12)[C@@H](c1cnn(CCCl)c1C)NCC3 963069394 RPZYDGPRVFDOSK-LJQANCHMSA-N 356.857 3.222 50 1 FGGF C#CCn1c(-c2ccc(C(=O)N/N=C/c3ccc[nH]3)cc2)nc2ccccc21 1772577862 QMFKJVRFNUHICP-BUVRLJJBSA-N 367.412 3.429 50 1 FGGF O=C(NNS(=O)(=O)c1ccccc1)c1ccc2oc3ccccc3c2c1 36184820 JAPUVWLLWGHBIY-UHFFFAOYSA-N 366.398 3.209 50 1 FGGF COC(=O)c1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2c1OC 586971786 YXINOGFFWKCUOL-GFCCVEGCSA-N 371.231 3.219 50 1 FGGF CN(C)CCSSCCCNC(=O)Cc1c[nH]c2cc(F)ccc12 618017797 PUYIRCMPPCDYJF-UHFFFAOYSA-N 369.531 3.299 50 1 FGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnc(O)[nH]2)N1 587685242 OSKLEQKOFSJCHW-JKYUHCHBSA-N 374.641 3.034 50 1 FGGF C/C(=N\NC(=O)c1cccc(N2CCOCC2)c1)c1cc(Cl)ccc1O 145492258 DGRCPUUJHIIGBX-FYJGNVAPSA-N 373.840 3.036 50 1 FGGF COC(C)(C)[C@@H](Br)c1nc2ccc(OCCN(C)C)cc2[nH]1 586970718 FBLMLNZXEBTXNP-AWEZNQCLSA-N 370.291 3.364 50 1 FGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cocn1 587542615 HVVAVKBDSZVIIY-MAUKXSAKSA-N 357.749 3.476 50 1 FGGF COC(C)(C)[C@@H](Br)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586971493 STSOCAKZXXAZJV-ZDUSSCGKSA-N 352.232 3.309 50 1 FGGF CCC[C@@H]1C=C[C@@H](CCC[C@]2(OC)C=C[C@@H](CC(=O)OC)OO2)OO1 44418098 VZSAJLFIIGOYQK-XLMAVXFVSA-N 356.415 3.004 50 1 FGGF Cc1[nH]c2ccccc2c1CC(=O)NCCCSSCCN(C)C 618017036 ACIKALWFIFDHIR-UHFFFAOYSA-N 365.568 3.468 50 1 FGGF CC(/C=N\NC(=O)c1nn(C)c(C)c1Br)=C\c1ccccc1 33333518 DRNNFMJVOAGOKN-GMNXGNKQSA-N 361.243 3.310 50 1 FGGF O=C(N/N=C/c1ccc(OCc2ccccc2)cc1O)c1ccccc1O 95808192 BLRCNDIROIFETO-LPYMAVHISA-N 362.385 3.441 50 1 FGGF Cn1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(N)=O 587496203 BYELNXRGXQGRBS-FQEVSTJZSA-N 372.852 3.102 50 1 FGGF CCn1c(C)nc2cc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)ccc21 33406508 XMAFLCTWIGVTGM-ODLFYWEKSA-N 351.366 3.037 50 1 FGGF COc1ccc(CCC(=O)NCCCSSCCN)cc1Cl 618008106 YWWVJCHULRLTJB-UHFFFAOYSA-N 362.948 3.128 50 1 FGGF CCCC[C@@H](Br)[C@H](O)C(Br)Br 86000716 PIQWATDDRYMLFY-RITPCOANSA-N 352.892 3.417 50 1 FGGF biogenic COC(=O)c1cc2nc([C@H](N)CCl)[nH]c2c(F)c1Nc1ccccc1 587009864 CFTNAVJAODBMRK-LLVKDONJSA-N 362.792 3.471 50 1 FGGF Nc1c(C(=O)N/N=C/c2ccc(F)cc2)oc2nc(C(F)(F)F)ccc12 653715970 BQFJFCKDOSVPHQ-QPJQQBGISA-N 366.274 3.332 50 1 FGGF CCCC(=O)OC[C@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 1772636234 FJXKTXHJCCBZJW-IRVUKYLWSA-N 354.443 3.334 50 1 FGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnn(C)c2)N1 587682822 DSJBBWLLSGORQF-RFAUZJTJSA-N 372.669 3.338 50 1 FGGF Cc1nonc1[C@]1(CBr)c2ccc(F)cc2C[C@@H]2CCCN21 963086719 BXUVLBDMUQPIEZ-BBRMVZONSA-N 366.234 3.176 50 1 FGGF CC=C(C=O)[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC 2356590448 NTVLUSJWJRSPSM-QFBILLFUSA-N 350.418 3.289 50 1 FGGF O=C1OC(=O)c2c1cc1cc3c(cc1c2-c1ccc2c(c1)OCO2)OCO3 38143217 CCKAXAFFTGLODL-UHFFFAOYSA-N 362.293 3.275 50 1 FGGF C/C(N)=C(\C#N)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689048 PCGOAJJWABXROF-VEYOSSQOSA-N 372.669 3.313 50 1 FGGF CCC[C@@H]1C=C[C@H](CCC[C@]2(OC)C=C[C@@H](CC(=O)OC)OO2)OO1 44418090 VZSAJLFIIGOYQK-MUQADHOPSA-N 356.415 3.004 50 1 FGGF biogenic NNC(=O)c1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587158621 QICUDAHTKUDTOG-UHFFFAOYSA-N 374.375 3.452 50 1 FGGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)C=C[C@@H](CC)O1 2356605789 RLYHYXSICKPCGG-LFDJNIOPSA-N 368.857 3.160 50 1 FGGF COc1cc(Cl)c(/C=N/NC(=O)c2ccccn2)c(Cl)c1OC 95808848 ODHNQIQKMYKQBZ-UFWORHAWSA-N 354.193 3.170 50 1 FGGF CC(C)N1N=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Cl)C1=O 587496267 AWFPOEIRALOBAT-IEBWSBKVSA-N 360.841 3.113 50 1 FGGF C=CCOc1nc(-c2ccc(NC(=O)CCl)cn2)nc(C)c1Cl 64504055 ZVRKETNVMFVIJP-UHFFFAOYSA-N 353.209 3.243 50 1 FGGF CC1=C(c2ccc3nc(CCCCBr)[nH]c3c2)NNC(=O)C1 586972158 ITKZHZKJDFSUAY-UHFFFAOYSA-N 363.259 3.036 50 1 FGGF COc1ccc([C@@H]2Oc3c(OC)cc(C=CC=O)cc3[C@H]2CO)cc1OC 2356481039 AXBCRVXFVXYBFX-UZLBHIALSA-N 370.401 3.134 50 1 FGGF CC(=NNC(=O)c1cc(Br)ccc1O)c1nc2ccccc2o1 299815542 GMMRXFBRBDXXBS-UHFFFAOYSA-N 374.194 3.450 50 1 FGGF C=C(C=O)[C@@H]1Oc2ccc([C@@H](C)OC(=O)C(C)=CC)cc2[C@H]1OC(C)=O 2356641021 XXCQISRHXYIMSQ-ZNZDAUKMSA-N 358.390 3.377 50 1 FGGF C=C1CC[C@H]2O[C@@]2(C)CC[C@@H]2C[C@H](OC(=O)C2=C)[C@@](C)(O)CC[C@@H]1OO 2356801163 RKOIXCYVHDILNO-ODQAOENWSA-N 366.454 3.151 50 1 FGGF CC(=O)OC[C@@H](Br)[C@]1(C)CC[C@@H](C(C)(C)Br)O1 31861588 MFOZEGIDWYEJRE-SCVCMEIPSA-N 372.097 3.424 50 1 FGGF CC(=O)NCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587371943 IJMMIKMQYCBGEC-FQEVSTJZSA-N 372.852 3.313 50 1 FGGF CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 169335782 WXMSZPYYPVWGRP-MRXNPFEDSA-N 358.350 3.205 50 1 FGGF O=C(N/N=C/c1ccncc1)c1nc2ccccc2nc1-c1ccccc1 40914377 QWNGOGSWWRXIRB-OEAKJJBVSA-N 353.385 3.456 50 1 FGGF COC(=O)[C@H](Cl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587688744 NTJOZHHMYUBTTP-FDHQVAJDSA-N 364.642 3.118 50 1 FGGF C=C1C(=O)O[C@H]2C[C@](C)(O)CCC[C@](C)(OO)C/C=C/[C@@]3(C)O[C@H]3C[C@@H]12 44431776 RMIIGKMFIMPTKP-RYHSQCECSA-N 366.454 3.151 50 1 FGGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C(N)=O)co1)CC2=O 587462174 WQTFWBOSCHSBDN-SFHVURJKSA-N 363.797 3.136 50 1 FGGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C(N)=O)co1)CC2=O 587462163 WQTFWBOSCHSBDN-GOSISDBHSA-N 363.797 3.136 50 1 FGGF CC(C)(C)OC(=O)[C@H]1/C(=C/CBr)CN1C(=O)OC(C)(C)C 1642904 JVMSWEZBQYWDKL-PFEDMVJOSA-N 362.264 3.269 50 1 FGGF O=C1C(O)=C([C@H](NCCCCl)c2ccccn2)C(=O)c2ccccc21 653864021 FODQLJCKSIUXBW-MRXNPFEDSA-N 356.809 3.233 50 1 FGGF CC1=NN(CC(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)C(=O)CC1 103221526 KGJUQQFKPSSMBJ-CJLVFECKSA-N 362.433 3.192 50 1 FGGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc[nH]1 95809366 ZVGAZKNXZCYONZ-KGENOOAVSA-N 356.426 3.150 50 1 FGGF CC1(C)O[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]2[C@@H](N=[N+]=[N-])[C@@H]1Br 377836376 COAMQTJABBZFQJ-DJBIQUGXSA-N 364.199 3.302 50 1 FGGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C=C(C)[C@]1(OO)CC=C(C)[C@H]21 2356762070 XMEYPBMHVCPWNQ-QRXRQMIZSA-N 360.406 3.117 50 1 FGGF COc1ccc([C@H]2C(C#N)=C(C)NC3=C2S(=O)(=O)c2ccccc23)cc1 36383702 NYHILBZIVBKXAY-SFHVURJKSA-N 364.426 3.336 50 3 FGGF N[P@](=O)(OCc1ccc([N+](=O)[O-])cc1F)N(CCCl)CCCl 64548559 SYDMJXOERPEUTC-QFIPXVFZSA-N 374.136 3.097 50 1 FGGF O=C1OC(=O)c2c1cc1ccc3c(c1c2-c1ccc2c(c1)OCO2)OCO3 44005268 WBBZSSJGTVBLGP-UHFFFAOYSA-N 362.293 3.275 50 1 FGGF CN(C)CCSSCCCNC(=O)c1cccnc1C(F)(F)F 618017776 ZJXFFCZIQCRONL-UHFFFAOYSA-N 367.462 3.163 50 1 FGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587422765 RTZWUQYQEOGRBO-XOBRGWDASA-N 372.804 3.348 50 1 FGGF CC1(C)CCC2=C(O1)/C(=N\NC(=O)c1ccncc1)c1ccccc1C2=O 1857617752 BCKWNNIIRSTZAK-QJOMJCCJSA-N 361.401 3.255 50 1 FGGF Cc1nnsc1C(=O)N(NC(=O)c1ccccc1Cl)C(C)(C)C 103214510 BJOPUROIOSANHU-UHFFFAOYSA-N 352.847 3.086 50 1 FGGF O=C(CCl)Nc1c(-c2ccc3c(O)nc(O)nc3n2)oc2ccccc12 587368348 HCQVADNJSGWZTG-UHFFFAOYSA-N 370.752 3.027 50 1 FGGF CC(C)c1nn(C)c2c1[C@]1(NCC2)C(C=O)=COc2cc(Cl)ccc21 962917959 MJZUYWJLFBEFST-IBGZPJMESA-N 357.841 3.061 50 1 FGGF CCc1cccc(CC)c1NC(=O)[C@H](Cc1ccco1)NC(=O)CCl 35950349 OZPDCTIAEOJFDH-INIZCTEOSA-N 362.857 3.309 50 1 FGGF CCOC(=O)[C@H](I)[C@@]12CCC[C@@H](C1)C(C)(C)OO2 43393595 AFRYNRQLAQFHTR-OUJBWJOFSA-N 368.211 3.023 50 1 FGGF COC(=O)[C@@]1([C@@H](Cl)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417711 OVXCKEGLQYXWMT-HEFCMCLBSA-N 372.804 3.335 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)[C@@H](C)Cl)(c1ccccc1)O2 587370596 ANLVSJYFMUSZSZ-XCLFUZPHSA-N 372.852 3.181 50 1 FGGF COc1ccc([C@@]2(CCl)NCCc3ccc(O)cc32)c2occ(O)c12 963350919 FEBDHCKXCZPKKU-LJQANCHMSA-N 359.809 3.481 50 1 FGGF C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1CCCCCCC(=O)O 535384572 WIWFIKCSWKFLRM-IRMCVWCUSA-N 370.486 3.215 50 1 FGGF in-vitro Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 653804884 DZFJVDDOFNZPCR-UFWORHAWSA-N 352.341 3.487 50 1 FGGF COc1ccc(N/C=C(\C#N)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1857769900 USWLJQJPYXCDLT-WYMLVPIESA-N 368.389 3.423 50 1 FGGF C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@H]2[C@@]1(C)O 238748384 NPRJCRQECPZJIM-WWMWKEEBSA-N 366.454 3.199 50 1 FGGF CCCCNS(=O)(=O)c1ccc2nc(/C=C/CBr)[nH]c2c1 586972784 BLOCFIXQFYJFOG-SNAWJCMRSA-N 372.288 3.049 50 1 FGGF COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)co2)cc1 95588517 JHXSMUVRFSINOD-WUXMJOGZSA-N 361.195 3.274 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3nc(O)[nH]c3c1)O2 587372459 LQTCKZXQZOGMGE-SFHVURJKSA-N 357.797 3.259 50 1 FGGF CN1CCN(c2ccc(-c3nc4cc(N=C=S)ccc4o3)cn2)CC1 28100393 AAAWNSOGRLIUHX-UHFFFAOYSA-N 351.435 3.376 50 1 FGGF Cn1/c(=N/NC(=O)C2CCCC2)sc2cc(OC(F)(F)F)ccc21 101635527 MLCCJNXNFFPVPC-ZHZULCJRSA-N 359.373 3.261 50 1 FGGF C=C1C(=O)O[C@@H]2C=C(C)C[C@H]3C=C(CC=C[C@@](C)(OO)CC[C@H]12)C(=O)O3 2356704530 WSXLFQQZQWNCIS-TVKQPGBESA-N 360.406 3.261 50 1 FGGF C=C1C(=O)O[C@H]2[C@@H](O)[C@@H](C)CCC[C@@](C)(OO)C=CC[C@@]3(C)O[C@H]3C[C@H]12 2356807768 YCVXVTQESRNCDE-PZQQGPFJSA-N 366.454 3.007 50 1 FGGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccco1 95808486 ZOFHXNXPUBTBFI-XSFVSMFZSA-N 357.410 3.415 50 1 FGGF C[C@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1CCCCCCC(=O)O 535384560 WIWFIKCSWKFLRM-CIJADTRJSA-N 370.486 3.215 50 1 FGGF in-vitro COC(=O)C[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587685888 BTEJDQNJGDGRLE-CLAHSXSESA-N 364.642 3.120 50 1 FGGF C/C(=N\NC(=O)c1ccc(-n2cccc2)cc1)C(=O)Nc1ccc(F)cc1 1772595724 QEHZZMRHGWJBLP-OEAKJJBVSA-N 364.380 3.361 50 1 FGGF CCOC(=O)C1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 103250430 VWRJCBHUWBWLPA-UHFFFAOYSA-N 352.427 3.498 50 1 FGGF C=C1[C@H](O)C[C@@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1CC[C@H]1CC(=O)NC1=O 2356859102 SRDHHMUVZQNDOM-YGKOXBLOSA-N 367.917 3.416 50 1 FGGF Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 36384366 FUERAKUMRQGERX-VXLYETTFSA-N 366.333 3.028 50 1 FGGF N#CC(C#N)=Cc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)[nH]1 13862510 HEBQIUNCEBCMFD-UHFFFAOYSA-N 351.841 3.421 50 1 FGGF O=C(O)CCCCCCC(=O)N/N=C/c1cc(Br)ccc1O 95809347 BFXAIPNGKAPNTR-LICLKQGHSA-N 371.231 3.030 50 1 FGGF COC(=O)[C@H](Cl)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587688738 NRKODOFJQVMJHV-UEXBWHTRSA-N 364.642 3.118 50 1 FGGF Cc1nnsc1C(=O)NN(C(=O)c1ccc(Cl)cc1)C(C)(C)C 103206557 YSVDRKURZGWCMO-UHFFFAOYSA-N 352.847 3.086 50 1 FGGF O=C(N/N=C\c1ccc(Oc2ccc3c(c2)OCO3)cc1)c1ccncc1 66074449 RCXPJSCNJGHOEG-UUYOSTAYSA-N 361.357 3.367 50 1 FGGF Cn1c(CCCC(=O)O)nc2ccc(N(CCCl)CCCl)cc21 206534495 SUIXQGVXNLSRLS-UHFFFAOYSA-N 358.269 3.265 50 1 FGGF CN(C)C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49766972 WMQZLXWYUZZNCR-UHFFFAOYSA-N 364.486 3.275 50 1 FGGF Oc1cccc2c1[C@@H](O)[C@H](Cl)[C@@H](O)C21Oc2cccc3cccc(c23)O1 199263925 HMNTVNBFGYYJPC-IPMKNSEASA-N 370.788 3.185 50 1 FGGF COC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)[C@@H]1c1cccc(F)c1 95571159 KXHIHEXLDSBHCB-SFHVURJKSA-N 367.355 3.319 50 3 FGGF CC1(C)COC(CCC/C=N/NC(=O)CCCCCCC(=O)O)OC1 95809005 KZVCJKGSYALXIU-XDHOZWIPSA-N 356.463 3.083 50 1 FGGF CC(C)c1nn(C)c2c1[C@](CCl)(c1nnc(-c3ccccc3)o1)NCC2 962919632 PZMVLAUKERWESC-LJQANCHMSA-N 371.872 3.222 50 1 FGGF O=C(CNc1cccc(OCc2ccccc2)c1)N/N=C/c1ccncc1 201289624 YKLNVZIGQDKBKJ-ZVHZXABRSA-N 360.417 3.223 50 1 FGGF COc1ccc(-c2cc(C(=O)N/N=C/C(C)=C\c3ccco3)[nH]n2)cc1 5826337 MCIVXVJURFOYSZ-QFSCOMFLSA-N 350.378 3.497 50 3 FGGF C[C@H]1O[C@]23C[C@@H](c4ccc(Br)cc4)OC(=O)C2=C[C@@]1(C)OO3 96934005 ZSQJJSGOMNLPIP-XXIOGYHUSA-N 367.195 3.199 50 1 FGGF N#C/C=C/c1ccc([C@@H](NN)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1 169350560 DSPDZNKBTSEYRC-IUINOXSKSA-N 367.416 3.181 50 1 FGGF COc1cccc(C2(c3nc4ccc(C(=O)NN)cc4[nH]3)CCCC2)c1 587933916 ZXMCFEMBQAMMPA-UHFFFAOYSA-N 350.422 3.035 50 1 FGGF CC(=CC[C@@H](O)[C@@](C)(Br)CCl)C(=O)CBr 2356765690 JFBIONWRLPBEBH-ZJUUUORDSA-N 362.489 3.040 50 1 FGGF CC(=O)O[C@@H]1C=C2COC[C@@H]2O[C@]2(C)CC[C@@H](Br)C(C)(C)[C@H]12 2356801618 QSOACSMAQLDCDE-LBKYZSNHSA-N 373.287 3.232 50 1 FGGF CN(C)CCSSCCCNC(=O)COc1cccc(Cl)c1 618012362 CRYYNJFJNJRCDF-UHFFFAOYSA-N 362.948 3.168 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3nc(O)[nH]c3c1)O2 587372454 LQTCKZXQZOGMGE-GOSISDBHSA-N 357.797 3.259 50 1 FGGF CC[C@]1(C(=O)OC(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348375 OCKVGTWWBDGEQW-XLIONFOSSA-N 372.348 3.129 50 1 FGGF CC(C)(C)NC(=O)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 44069370 NBZDBQYBPGFECI-UHFFFAOYSA-N 364.486 3.417 50 1 FGGF CC(C)(NC(=O)CCl)c1nc2cc(Br)c(F)c(F)c2[nH]1 587009390 CSKCMVCZINGQTR-UHFFFAOYSA-N 366.593 3.194 50 1 FGGF CCOC(=O)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587500138 QQDWIXLPENJBTN-QGZVFWFLSA-N 367.239 3.227 50 1 FGGF C/C(N)=C(/C#N)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687753 HSUNCBHPBBNFJD-NWCHXWRRSA-N 372.669 3.313 50 1 FGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CCl)OCC2=O)N1 587683497 HJXIBQFHYTTYKC-VXJOIVPMSA-N 374.637 3.040 50 1 FGGF N#CCC1=NN=C(c2ccc(Br)cc2)[C@H](Br)O1 71296758 KNSNCGKELQGARN-LLVKDONJSA-N 357.005 3.217 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](O)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169331754 QPGCYSREBONXHE-MHUBZUKDSA-N 352.349 3.119 50 1 FGGF CN(C)CCSSCCNC(=O)c1ccccc1OC(F)(F)F 618008243 CIAJPTYJLHANTF-UHFFFAOYSA-N 368.446 3.258 50 1 FGGF COCCN(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1 95594968 KYVRRIBUUIKSND-UHFFFAOYSA-N 352.374 3.464 50 1 FGGF CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(Cl)cc1)C(C)C 103222751 XORBJMBVBBUMDO-MSUUIHNZSA-N 350.846 3.443 50 1 FGGF CC(=CC[C@H](O)[C@@](C)(Br)CCl)C(=O)CBr 2356765688 JFBIONWRLPBEBH-UWVGGRQHSA-N 362.489 3.040 50 1 FGGF C[C@@H](CC(=O)O)O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 43649549 XLVHMGYCRCYDJQ-QRVPQQKRSA-N 370.442 3.074 50 1 FGGF CCN(CC)C(=O)C1=C(C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@H](O1)O4 49802729 LWOXJCFZKRJZGM-DJBYIRNWSA-N 365.470 3.375 50 1 FGGF COC[C@@]1(CCl)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963170238 IUCFVNXKZVHUAR-NOZJJQNGSA-N 372.170 3.038 50 1 FGGF Cc1nnsc1C(=O)N(NC(=O)c1ccc(Cl)cc1)C(C)(C)C 103213059 UMZYMZCCLLKDGD-UHFFFAOYSA-N 352.847 3.086 50 1 FGGF CN(C)C(=O)c1ccc2c(c1)[C@H](c1ccc(N(C)CCCl)cc1)NCC2 962924917 OWOXCOMILOVYQR-FQEVSTJZSA-N 371.912 3.299 50 1 FGGF CO[C@H]1O[C@@]2(C)OO[C@@]13[C@H](CCO)CCC[C@@H]3C[C@H]2Cc1ccccc1 43443406 YXVVYCCWOXJNMG-ZUHHCLADSA-N 362.466 3.454 50 1 FGGF CN(C)CCSSCCN(C)C(=O)c1cn(C)c2ccccc12 618009735 HGQVJXITLYNFON-UHFFFAOYSA-N 351.541 3.193 50 1 FGGF CCOC(=O)[C@@H](I)[C@@]12CCC[C@@H](C1)C(C)(C)OO2 43393597 AFRYNRQLAQFHTR-OPQQBVKSSA-N 368.211 3.023 50 1 FGGF CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(C)C[S@](=O)c1ccccc1 253852956 OEFDWGOFZFVNPW-XNAAKHKASA-N 352.452 3.005 50 1 FGGF CN(C)CCSSCCNC(=O)c1ccc2cc(O)ccc2c1 618008796 KHFUDBDEZBYTOL-UHFFFAOYSA-N 350.509 3.218 50 1 FGGF COc1ccccc1-c1cn(CCCSSCCN(C)C)nn1 618009547 FEMRNIKIZZQRKS-UHFFFAOYSA-N 352.529 3.287 50 1 FGGF COc1ccc(Cl)cc1C#Cc1ccc([C@@]2(C)CC(=O)OC2=O)cc1 587905735 GMKTUBMFBRRALE-HXUWFJFHSA-N 354.789 3.480 50 1 FGGF CCN1N=C[C@]2(NCCc3cc(-c4ccccc4)ccc32)[C@H](Cl)C1=O 962670570 RUYBMRLYMRYYTB-UYAOXDASSA-N 353.853 3.150 50 1 FGGF O=C(O)c1ccc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 5538251 HQYPQBFOWXSEAB-UHFFFAOYSA-N 373.368 3.136 50 1 FGGF CCCSS/C(CCO)=C(\C)N(Cc1cnc(C)nc1N)C(C)=O 27190241 QMVGKQMYHKGNDR-RVDMUPIBSA-N 370.544 3.121 50 1 FGGF COc1c(O)c2c3c(c(O)c(CC=C(C)C)c(C)c3c1OC)C(=O)OC2=O 2356453246 SCHCEVHQBZFUJX-UHFFFAOYSA-N 372.373 3.396 50 1 FGGF CC1(C)C[C@H](OC(=O)NCCCl)c2c(ccc3ccc(=O)oc23)O1 40919021 VUOWJZIEEDUWJC-LBPRGKRZSA-N 351.786 3.360 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3ccccn3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 169371525 VUFWDQIDRMHCAU-AEFZOLJSSA-N 372.465 3.276 50 1 FGGF COC(=O)C[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587685891 BTEJDQNJGDGRLE-XLKFXECMSA-N 364.642 3.120 50 1 FGGF O=C1C[C@@]2(CCOC[C@H]2Br)Oc2c1ccc1c2CCCC1 587500508 XIYBACYPABNRFS-NVXWUHKLSA-N 351.240 3.453 50 1 FGGF Cc1c(F)ccc2c1[C@](c1ccc3c(c1)NC(=O)CO3)([C@@H](C)Cl)NCC2 962373760 JAWZXWLANRXJQM-MPBGBICISA-N 374.843 3.482 50 1 FGGF COc1ccc(CC(=O)N/N=C(\C)c2cccc(NC(=O)C3CC3)c2)cc1 5892335 WEFHSWDRUHXLJV-OEAKJJBVSA-N 365.433 3.127 50 3 FGGF CCOC(=O)[C@H](Cl)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587688756 NVXSFABFWKGVOT-HAGUPOPPSA-N 364.642 3.334 50 1 FGGF NNC(=O)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587077664 WSMJYBSJERQITG-KRWDZBQOSA-N 369.856 3.157 50 1 FGGF C=C1C(=O)O[C@@H]2C(=O)[C@@H](C)CCC[C@](C)(OO)/C=C/C[C@]3(C)O[C@H]3C[C@H]12 238780710 BTJROEGVRQVIDB-SAUVMXBXSA-N 364.438 3.216 50 1 FGGF CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(C)C[S@@](=O)c1ccccc1 253852959 OEFDWGOFZFVNPW-ZIDKIUPVSA-N 352.452 3.005 50 1 FGGF NNC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587264209 DGAZHLMOMGDLBP-UHFFFAOYSA-N 363.333 3.002 50 1 FGGF C[C@H](CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O)C(=O)/C=C/C(C)(C)OO 44265014 BMBWXRCJBUBRCF-VFKQRZKDSA-N 370.486 3.035 50 1 FGGF COc1cccc2c(=O)c3c(O)cc(OC[C@](C)(O)CCl)cc3oc12 140052864 JCSFDKMQMKCXPL-GOSISDBHSA-N 364.781 3.029 50 1 FGGF O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2F)c1 1857603784 FSAWUFHOEMSZFI-UHFFFAOYSA-N 370.405 3.116 50 1 FGGF Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)NCCCl)cc1 95557464 RQUXEYOQXRKTRJ-UHFFFAOYSA-N 367.858 3.156 50 1 FGGF CC[C@@]1(C(=O)OC(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348379 OCKVGTWWBDGEQW-YLJYHZDGSA-N 372.348 3.129 50 1 FGGF CCOc1ccc(/C=N/NC(=O)COc2cccc3ccccc23)cc1O 103292484 NVJPRRMJFUZOKV-LPYMAVHISA-N 364.401 3.473 50 1 FGGF CCCc1c(O)ccc2c1O[C@@](CBr)([C@@H]1CCOC1)CC2=O 587455366 BCDFFHLYZYEDDX-DIFFPNOSSA-N 369.255 3.480 50 1 FGGF CCCc1c(O)ccc2c1O[C@@](C)([C@H](NC(=O)CCl)C(C)C)CC2=O 587461916 VCULEJWXZQPYHM-RTBURBONSA-N 367.873 3.448 50 1 FGGF CC(=O)N1c2ccc([C@@]3(CCl)NCCc4ccc(O)cc43)cc2C[C@H]1C 963343834 XCNDGONSUOTTIG-LRTDBIEQSA-N 370.880 3.318 50 1 FGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnn(C)c2)N1 587684728 LVLGACJCWPNDDV-VFZGTOFNSA-N 372.669 3.338 50 1 FGGF O=C(Nc1nnc(C(F)(F)F)s1)[C@H](Br)C1CCCC1 103278942 ADWXVJPDDUMUJT-ZCFIWIBFSA-N 358.183 3.449 50 1 FGGF [C-]#[N+][C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(/C=N/OC)cc2)n1 261191104 ZFNUCUZOPQHUFW-DRYMOHHNSA-N 366.425 3.109 50 1 FGGF N#CC1=C(N)OC2=C(CNc3c2cccc3[N+](=O)[O-])[C@@H]1c1cccs1 1772611697 PAXMPHYNUUVRGK-CQSZACIVSA-N 352.375 3.301 50 1 FGGF C=C(C=O)[C@@H]1Oc2ccc([C@@H](C)OC(C)=O)cc2[C@@H]1OC(=O)CC(C)C 2356582226 XQHWUPXUEFPMSI-CWVNLOTRSA-N 360.406 3.457 50 1 FGGF CO[C@H]1O[C@]2(C)OO[C@]13[C@H](CCO)CCC[C@@H]3C[C@H]2Cc1ccccc1 43261057 YXVVYCCWOXJNMG-VXAANUECSA-N 362.466 3.454 50 1 FGGF COc1ccc(/C=N/NC(=O)CCc2cnc3ccccc3c2)cc1OC 115598482 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CCOCCOC(=O)/C(C#N)=C(\NCc1ccc2ccccc2n1)C(C)C 103201796 QJMIDOIUYJWISE-ZZEZOPTASA-N 367.449 3.338 50 1 FGGF Cc1ccc(C(C)C)c(O)c1C(=O)NCCSSCCN(C)C 618008324 YHEGFEMBKDXVCO-UHFFFAOYSA-N 356.557 3.497 50 1 FGGF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(NC(=O)CCl)c2c1 587649248 NVGBTVUGVGNUGQ-UHFFFAOYSA-N 362.838 3.416 50 1 FGGF CC(C)(C)OC(=O)/C=C/[C@@H]1CC[C@@H](CC(=O)OCc2ccccc2)OO1 72175715 YLNBQVQGOBZODX-YFXCHKOLSA-N 362.422 3.497 50 1 FGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CCl)OCC2=O)N1 587686365 UOPUAVVTONEVOK-VXJOIVPMSA-N 374.637 3.040 50 1 FGGF O=C(CCl)Nc1ccc(-c2nc(Cl)cc(C(F)(F)F)n2)nc1 64526839 RGHCKPXBEZDOJH-UHFFFAOYSA-N 351.115 3.388 50 1 FGGF C[C@H](O)CCC[C@H](O)C=C[C@H]1[C@H]2C[C@@H](OO2)[C@@H]1CCCCCCC(=O)O 2356737125 WIWFIKCSWKFLRM-GRUVHVDGSA-N 370.486 3.215 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1nccs1)O2 587413882 QUFAULPOVVCGGV-AWEZNQCLSA-N 353.241 3.289 50 1 FGGF CC(=O)c1ccc(/N=N/N(C)C(=O)NCCc2ccc(O)c(O)c2)cc1 42923128 RVGQIDLOBWKLCZ-QZQOTICOSA-N 356.382 3.183 50 1 FGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(N(C)C=O)cc1)[C@@H](C2)C3=O 587419699 XZLHPCWRAKCYAE-JXFKEZNVSA-N 371.820 3.170 50 1 FGGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C=C(C)[C@@]1(OO)CC=C(C)[C@@H]21 2356762068 XMEYPBMHVCPWNQ-DYWWHBPLSA-N 360.406 3.117 50 1 FGGF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC=C[C@]([C@H](C)Cl)(C1)[C@@H]23 2356424757 UNQYUBCRSGGIMW-ODVVLEEXSA-N 370.880 3.439 50 1 FGGF CN(C)CCSSCCNC(=O)c1cccc(C(F)(F)F)c1 618007605 BSIVMFZERFYEAM-UHFFFAOYSA-N 352.447 3.378 50 1 FGGF Cc1nonc1[C@@]1(CBr)c2ccc(F)cc2C[C@H]2CCCN21 963086724 BXUVLBDMUQPIEZ-CZUORRHYSA-N 366.234 3.176 50 1 FGGF O=C(CCCCl)Nc1ccccc1-c1ccc2c(O)nc(O)nc2n1 587368586 MLCUMHUOLYXSMI-UHFFFAOYSA-N 358.785 3.061 50 1 FGGF COc1ccc2c3c1O[C@@H]1[C@@H](O[Si](C)(C)C)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]314 261165853 RXSDDUCBUIPWHI-NROPHMHMSA-N 371.553 3.360 50 1 FGGF in-vitro NNC(=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134522 MHWDNRSKMMYSFL-RQOWECAXSA-N 368.265 3.032 50 1 FGGF Cc1nc2ccccc2cc1C(=O)NN=C1C(=O)Nc2cccc(Cl)c21 1911579802 PXYJNEQLGCCXTF-UHFFFAOYSA-N 364.792 3.283 50 1 FGGF CC(=O)OC[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689559 UMTVHJAWZCAVSN-RMLUDKJBSA-N 364.642 3.120 50 1 FGGF O=C(N/N=C/c1ccc(CO)c2ccccc12)c1ccc(O)c(Cl)c1 13492685 NEVWEPVASRQKCE-UFFVCSGVSA-N 354.793 3.455 50 1 FGGF CC(=O)O[C@@H]1C=C2COC[C@@H]2O[C@]2(C)CC[C@@H](Br)C(C)(C)[C@@H]12 2356801617 QSOACSMAQLDCDE-JRBZFYFNSA-N 373.287 3.232 50 1 FGGF CO[C@H]1O[C@]2(C)OO[C@]13[C@H](CCO)CCC[C@@H]3C[C@@H]2Cc1ccccc1 43261091 YXVVYCCWOXJNMG-FITZOCOBSA-N 362.466 3.454 50 1 FGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CCl)OCC2=O)N1 587683494 HJXIBQFHYTTYKC-AYVTZFPOSA-N 374.637 3.040 50 1 FGGF Cn1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587542735 IJYPSMNWYLFLES-VQIMIIECSA-N 370.792 3.222 50 1 FGGF O=C(N/N=C\C(Br)=C\c1ccccc1)c1n[nH]c2c1CCC2 13108174 YOXLOCCSYKQCIW-LSZWCIJZSA-N 359.227 3.050 50 1 FGGF CC(C)(C)OC(=O)[C@@H]1/C(=C/CBr)CN1C(=O)OC(C)(C)C 1642906 JVMSWEZBQYWDKL-HUYFXPKMSA-N 362.264 3.269 50 1 FGGF COc1cc2c3c(c1)O[C@](C)([C@@H](Cl)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587417044 IRRLXJZTRAKJGM-DCPHZVHLSA-N 371.820 3.447 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CCCl)(c1ccccc1)O2 587376870 UPINNPSPAPTNJK-HXUWFJFHSA-N 372.852 3.183 50 1 FGGF Oc1ccc2c3c1O[C@H]1[C@H](N=C=S)CC[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@@]341 169365208 UZLGTUXGAQFLIF-PSROTBAVSA-N 368.502 3.313 50 1 FGGF CCCc1c(O)ccc2c1O[C@@](C(F)F)([C@H](Cl)C(=O)OC)CC2=O 587464445 QMUUNMYRCBWTQH-CZUORRHYSA-N 362.756 3.094 50 1 FGGF Oc1ccc2c3c1O[C@H]1[C@H](N=C=S)CC[C@H]4[C@H](C2)N(CC2CC2)CC[C@]341 25993608 UZLGTUXGAQFLIF-XKPOPYSVSA-N 368.502 3.313 50 1 FGGF CCOC(=O)[C@@H](Cl)[C@@]1(CC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587373211 QJNZUIJTALPIJL-SJLPKXTDSA-N 353.846 3.498 50 1 FGGF O=C(Cl)CCCCC(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 1857582973 SFZVGULWNZAEEZ-UHFFFAOYSA-N 368.802 3.378 50 1 FGGF CC/C(NNC(=O)c1ccc2c(c1)nc(C)n2CC)=C1/C=C(F)C=CC1=O 4865338 NOUSCSHLQOVXNJ-FOCLMDBBSA-N 368.412 3.255 50 3 FGGF COc1ccc(/C=N/NC(=O)CCc2cn(C)c3ccccc23)cc1OC 115595482 FKKFHUUMFLBHIH-LPYMAVHISA-N 365.433 3.278 50 1 FGGF Cc1ccc(Cc2c(N)nn3c2N[C@H](c2ccccc2)C(C#N)=C3N)cc1 75270339 DQAJHKFSEBLHNB-GOSISDBHSA-N 356.433 3.182 50 1 FGGF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1 587008419 ORDUYJBCBHVIFR-JTQLQIEISA-N 350.271 3.112 50 1 FGGF CC(C)C(=O)Nc1ccc([C@]2([C@@H](C)Cl)c3nn(C)cc3CCN2C)cc1 963953699 CMCBWXXQHKMINS-JLTOFOAXSA-N 374.916 3.373 50 1 FGGF CO[C@H]1O[C@@]2(C)OO[C@]13[C@H](CCO)CCC[C@@H]3C[C@H]2Cc1ccccc1 100999552 YXVVYCCWOXJNMG-XUDSTZEESA-N 362.466 3.454 50 1 FGGF CN(C)CCSSCCNC(=O)c1ccc(-c2ccccc2)nc1 621477772 ZYEGXEKBTGBSTE-UHFFFAOYSA-N 361.536 3.421 50 1 FGGF CC1(C)OC2=C(C[C@@H]1I)C(=O)C(=O)c1ccccc12 223548753 OAYAUCMPKAGALG-NSHDSACASA-N 368.170 3.166 50 1 FGGF CN(C)CCSSCCCNC(=O)c1cc(-c2ccccc2)on1 621485695 GIKSHMBVJQZUCH-UHFFFAOYSA-N 365.524 3.405 50 1 FGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(F)cnc2[nH]1 587009929 XLWFBGSNBZYGDN-AWEZNQCLSA-N 371.803 3.217 50 1 FGGF COCCN(C)c1n[nH]c2ccc([C@H]3C(C#N)=C(C)N=C(C)[C@@H]3C#N)cc12 169694605 RWBZQZPFIBQLJC-QFBILLFUSA-N 362.437 3.141 50 1 FGGF C/C(N)=C(\C#N)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687755 HSUNCBHPBBNFJD-YCQXKNJFSA-N 372.669 3.313 50 1 FGGF CC=C(C=O)[C@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC 2356590449 NTVLUSJWJRSPSM-VQIMIIECSA-N 350.418 3.289 50 1 FGGF C=C1C[C@@]2(C(=O)OC)C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)OC(=O)[C@H]12 2356634943 OZTYHGQEMFWVSF-NPOXIHEQSA-N 360.450 3.418 50 1 FGGF CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1Br 39031010 SZKNGFAZFYQIQL-LSDHHAIUSA-N 367.195 3.332 50 1 FGGF COC(=O)[C@@H](Cl)[C@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587509915 YHWHEKJGHTXGAO-PBHICJAKSA-N 358.768 3.315 50 1 FGGF O=C(NN/C=C1\C=Nc2ccccc21)c1cc(Br)ccc1O 13122390 VQYMMOPUCHNMPA-MDZDMXLPSA-N 358.195 3.146 50 3 FGGF O=C(CCCCC(=O)N/N=C/c1ccc(F)c(Oc2ccccc2)c1)NO 95809787 PQMBQMZXWWZECE-FYJGNVAPSA-N 373.384 3.134 50 1 FGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CCl)OCC2=O)N1 587686362 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XIOPKILEHGQSHY-XKNYDFJKSA-N 362.489 3.196 50 1 FGGF CCN(CC)C(=O)OCC[C@@H]1CCC[C@@H]2CC[C@@]3(C)OO[C@]12[C@H](OC)O3 101267461 VYFXZNNVPSHMRZ-DARIXABFSA-N 371.474 3.471 50 1 FGGF NNC(=O)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587111323 DTIJWHKAVZXSGU-UHFFFAOYSA-N 371.322 3.400 50 1 FGGF O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(C(F)(F)F)cc1 1857610805 AOCGUEOUXBSEGS-UFWORHAWSA-N 353.256 3.083 50 1 FGGF COc1ccc2cc([C@H](C)C(=O)NCCSSCCN)ccc2c1 169324342 VGQWLFQDDZEHBO-ZDUSSCGKSA-N 364.536 3.408 50 1 FGGF COc1ccc2c3c([nH]c2c1)[C@H]1C[C@@H]2C(C=O)=C(C)OC[C@H]2[C@@H](C3)N1C 2356692898 ONBPJDNLJKBJSV-SJFSSXKUSA-N 352.434 3.213 50 1 FGGF C=C1C(=O)O[C@H]2C[C@](C)(O)CCC[C@](C)(OO)CC=C[C@@]3(C)O[C@H]3C[C@@H]12 299807130 RMIIGKMFIMPTKP-BRMIGGSTSA-N 366.454 3.151 50 1 FGGF CCCc1c(O)ccc2c1O[C@@]1(CCOC[C@@H]1Br)CC2=O 587458064 FULNNYQUFXWDEV-HOCLYGCPSA-N 355.228 3.233 50 1 FGGF C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2C[C@@H](OC(=O)[C@H]2C)[C@@](C)(O)CC[C@@H]1OO 59930426 LTTQHIVHWORRDE-LBYDICTLSA-N 368.470 3.231 50 1 FGGF Cc1ccc(NC(=O)c2c(NC(=O)CCl)c(C#N)c3n2CCC3)cc1 103280020 KMBKXQYMLUOSOS-UHFFFAOYSA-N 356.813 3.044 50 1 FGGF COC[C@]1(CCl)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963170244 IUCFVNXKZVHUAR-ZANVPECISA-N 372.170 3.038 50 1 FGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](CCl)(c2ccc3c(c2)CCC3)N1 962902872 AABTUCBZMQRMLI-AZUAARDMSA-N 359.828 3.396 50 1 FGGF O=C/C1=C\CCOC(=O)c2c(O)cc(O)c(Cl)c2CC(=O)CCCC1 58639168 XRPZFFJMSSNWNE-WZUFQYTHSA-N 366.797 3.109 50 1 FGGF in-vitro C=C1C(=O)O[C@H]2[C@@H](O)[C@H](C)CCC[C@@](C)(OO)C=CC[C@@]3(C)O[C@H]3C[C@H]12 2356807767 YCVXVTQESRNCDE-OMEKFHBNSA-N 366.454 3.007 50 1 FGGF CCCc1c(O)ccc2c1O[C@@](C(=O)OC)([C@@H](C)Br)CC2=O 587450598 GMSGISFXPOLBEC-JDNHERCYSA-N 371.227 3.005 50 1 FGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(NC(N)=O)cc1)[C@@H](C2)C3=O 587419779 ZNAGBIAESHVTGP-IFXJQAMLSA-N 372.808 3.068 50 1 FGGF C[C@](Cl)(C=CBr)[C@@H]1C[C@H](Br)[C@](C)(O)CO1 2356522134 XIOPKILEHGQSHY-AATLWQCWSA-N 362.489 3.196 50 1 FGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](CBr)(C2CCCC2)N1 962923396 QRQHXWAGANIZJQ-HOCLYGCPSA-N 356.235 3.205 50 1 FGGF CC(=O)O[C@@H]1c2cc3ccc(=O)oc3cc2OC(C)(C)[C@H]1Br 40935994 QUCDJKOTSHHFHK-CABCVRRESA-N 367.195 3.332 50 1 FGGF N#C/C(=C\c1ccccc1)Cn1nnn(-c2ccc(C(F)(F)F)cc2)c1=O 98082582 YEKDBJGSUKNODX-GXDHUFHOSA-N 371.322 3.055 50 1 FGGF COc1ccccc1C(=O)N/N=C(\C)c1ccc(NC(=O)C2CC2)cc1 5895600 XCNMXJZABUANNY-LPYMAVHISA-N 351.406 3.198 50 3 FGGF Cc1nonc1[C@]1(CBr)c2ccc(F)cc2C[C@H]2CCCN21 963086721 BXUVLBDMUQPIEZ-CJNGLKHVSA-N 366.234 3.176 50 1 FGGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@]2(C)C[S@@](=O)c1ccccc1 299810612 OEFDWGOFZFVNPW-BFEKLWMTSA-N 352.452 3.005 50 1 FGGF CCCc1c(O)ccc2c1O[C@](CBr)([C@@H]1CCOC1)CC2=O 587455368 BCDFFHLYZYEDDX-PIGZYNQJSA-N 369.255 3.480 50 1 FGGF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\CBr)[nH]c2c1 586973574 LOZLDEKELKKCJJ-WAYWQWQTSA-N 372.288 3.002 50 1 FGGF Cc1[nH]nc2c1[C@@H](c1ccc(O)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1857539150 VNXOXAKDDIJMCV-IBGZPJMESA-N 374.400 3.221 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C[C@H]3CCCC3=O)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103105232 SWDNHJMFIWMEDU-YCUASDIUSA-N 364.438 3.134 50 1 FGGF CCOC(=O)[C@H](I)[C@]12CCC[C@@H](C1)C(C)(C)OO2 100919666 AFRYNRQLAQFHTR-KWBADKCTSA-N 368.211 3.023 50 1 FGGF CC(=O)N1c2ccc([C@]3(CCl)NCCc4ccc(O)cc43)cc2C[C@H]1C 963343833 XCNDGONSUOTTIG-ASSNKEHSSA-N 370.880 3.318 50 1 FGGF OB(O)c1cc2cc(COc3ccc(Cl)c(Cl)c3)ccc2s1 170095917 ORYFBEFEVAROPS-UHFFFAOYSA-N 353.035 3.467 50 1 FGGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cnon2)[C@H]1c1ccc(F)cc1 587327480 PUKBWQJQZSUMRB-WMZOPIPTSA-N 374.755 3.408 50 1 FGGF CCN1N=C[C@@]2(NCCc3cc(-c4ccccc4)ccc32)[C@H](Cl)C1=O 962670567 RUYBMRLYMRYYTB-QUCCMNQESA-N 353.853 3.150 50 1 FGGF C[C@H](NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 73404092 KVUMPMXNBORZQQ-DGGAMASNSA-N 366.333 3.287 50 1 FGGF C=C1CC[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)C[C@H]2C=C(CC[C@@H]1OO)C(=O)O2 2356447106 VTUGHLCKKNSTAF-XWTMOSNGSA-N 360.406 3.261 50 1 FGGF Oc1cccc2c1[C@H](O)[C@@H](Cl)[C@@H](O)C21Oc2cccc3cccc(c23)O1 199263902 HMNTVNBFGYYJPC-CEXWTWQISA-N 370.788 3.185 50 1 FGGF CN(C)CCSSCCN(C)C(=O)COc1cccc(Cl)c1 618009793 JILLOZXCUPMWCU-UHFFFAOYSA-N 362.948 3.120 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1oc(C)nc1C)O2 587372524 JLEODBFGMMFXCW-INIZCTEOSA-N 365.227 3.438 50 1 FGGF COc1cccc2cc3c(nc12)[C@H](c1cnn(CCCl)c1C)NCC3 963069392 RPZYDGPRVFDOSK-IBGZPJMESA-N 356.857 3.222 50 1 FGGF CC(=O)O[C@@H]1CC(=O)C=C2[C@@]3(C)C=C(C#N)C(=O)C(C)(C)[C@@H]3CC[C@]21C 34322679 RYZOLVCMMQIPNG-IAECCPNBSA-N 355.434 3.299 50 1 FGGF O=S(=O)(c1ccc2nc(/C=C\CBr)[nH]c2c1)C(F)(F)F 586974798 ZYEVUEJECCJFJT-UPHRSURJSA-N 369.162 3.265 50 1 FGGF CC(/C=C/C=O)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@H](O)CC[C@]21C 135921692 JPMWBEHLCOISNJ-ICFNOBKFSA-N 360.494 3.223 50 1 FGGF CC[C@@H](C(=O)NN)c1c(C)n(Cc2ccccc2)c2ccc(OC)cc12 13445998 NLIPULSKNMOCPN-QGZVFWFLSA-N 351.450 3.490 50 1 FGGF CN(C)C[C@@H](Br)c1cccc(I)c1 169345629 YEPOCEWTIIVFMI-SNVBAGLBSA-N 354.029 3.289 50 1 FGGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@@H]1OO[C@@]2(C)C[S@](=O)c1ccccc1 102194010 OEFDWGOFZFVNPW-RZXKOPIJSA-N 352.452 3.005 50 1 FGGF CCc1cccc(CC)c1NC(=O)[C@@H](Cc1ccco1)NC(=O)CCl 35950348 OZPDCTIAEOJFDH-MRXNPFEDSA-N 362.857 3.309 50 1 FGGF O=C1C[C@@H](CCCCl)O[C@]2(C1)C(=O)Nc1cccc(Br)c12 1772629177 OSDBAHRNSYREAQ-BMIGLBTASA-N 372.646 3.364 50 1 FGGF CCN(CC)C(=O)OCC[C@@H]1CCC[C@@H]2CC[C@]3(C)OO[C@@]12[C@@H](OC)O3 101256346 VYFXZNNVPSHMRZ-NLPXPOPTSA-N 371.474 3.471 50 1 FGGF CCOCCOC(=O)/C(C#N)=C(\NCc1cnc2ccccc2c1)SC 103201804 ZQSBZWNSDCXZJI-FBMGVBCBSA-N 371.462 3.002 50 1 FGGF COC(=O)[C@H](Cl)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688745 NTJOZHHMYUBTTP-FMCKTDMXSA-N 364.642 3.118 50 1 FGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4nc(O)oc4c1)[C@@H](C2)C3=O 587418780 AYMIBEVYYYMMLW-BUXKBTBVSA-N 371.776 3.424 50 1 FGGF CSc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(O)cc3)o2)cc1 1857652889 FPJYIRRWMOJUFG-UHFFFAOYSA-N 368.414 3.449 50 1 FGGF Cc1nn(C)c(O)c1/C(=N/C(=O)C(Cl)Cl)c1cccc(Cl)c1 29482680 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LVLGACJCWPNDDV-PSLIRLAXSA-N 372.669 3.338 50 1 FGGF COc1ccc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2CO)cc1OC 2356481037 AXBCRVXFVXYBFX-OXJNMPFZSA-N 370.401 3.134 50 1 FGGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(C)C[S@@](=O)c1ccccc1 253852961 OEFDWGOFZFVNPW-ZPYVAULUSA-N 352.452 3.005 50 1 FGGF CN1CCc2cn(C)nc2[C@@]1(CBr)c1sccc1Cl 963956590 YUZJYGQQWWACQT-ZDUSSCGKSA-N 360.708 3.261 50 1 FGGF C[C@]1(CC(=O)NCc2ccc3c(c2)OCCO3)CC2(CCCCC2)OO1 49745413 LZGLHOVCHAQTAY-IBGZPJMESA-N 361.438 3.278 50 1 FGGF CN(C)CCSSCCCNC(=O)Cc1c[nH]c2cccc(F)c12 618017899 RLGXJGSJHNWHGM-UHFFFAOYSA-N 369.531 3.299 50 1 FGGF C/C(N)=C(\C#N)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687752 HSUNCBHPBBNFJD-MEXUIMHZSA-N 372.669 3.313 50 1 FGGF C/C(=N\NC(=O)Nc1ccc(CN2CCC(C)CC2)cc1)c1cnccn1 1857617299 VBRUMCZILXFBRS-LFVJCYFKSA-N 366.469 3.254 50 1 FGGF CCO/C(C)=C(\C#N)c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587923813 PXAPPYAEECCDJG-SDNWHVSQSA-N 363.464 3.473 50 1 FGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnc(O)[nH]2)N1 587685243 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N#CC(C#N)=Cc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c[nH]1 13862512 LGXAESURRIWEJV-UHFFFAOYSA-N 351.841 3.421 50 1 FGGF COC(=O)CS[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 1857554254 FMOLPCMEJIELJV-IZHZTTKVSA-N 372.483 3.101 50 1 FGGF COC(C)(C)[C@@H](Br)c1nc2cnc(C(F)(F)F)[nH]c-2n1 586971454 SDVNPNHRRHFWFH-LURJTMIESA-N 353.142 3.184 50 1 FGGF CCOC(=O)/C(C#N)=C1\C=CC(C#Cc2cc(Cl)ccc2OC)=CN1 587913234 ZYKMCNMYVMYSPF-WUKNDPDISA-N 354.793 3.084 50 1 FGGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cnon2)[C@H]1c1ccc(F)cc1 587327478 PUKBWQJQZSUMRB-FUHWJXTLSA-N 374.755 3.408 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCCCO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84757223 JGBPBOVNTGQXLW-ZXSVDINVSA-N 370.486 3.374 50 1 FGGF CSc1ccc(C2=C(c3ccc(NC(C)=O)cc3)C(=O)OC2=O)cc1 49762333 NCSJZFZCTVLTID-UHFFFAOYSA-N 353.399 3.361 50 1 FGGF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1 587242772 ZNGZAYBGDPWWQL-UHFFFAOYSA-N 365.437 3.208 50 1 FGGF CCC[C@H](O)CC=C(Cl)[C@@H](O)C(Br)Br 2356800922 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CC(C=CC=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@H](O)[C@@]1(C)CO 2356587408 JPMWBEHLCOISNJ-WTNOFXFJSA-N 360.494 3.223 50 1 FGGF O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 72175175 HINPJEHBKBPQMS-RQZCQDPDSA-N 370.277 3.120 50 1 FGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnc(O)[nH]2)N1 587686992 YJEYAGJAJOPLLB-WJWGPLDTSA-N 374.641 3.034 50 1 FGGF C[C@@H]1C/C(=N\NC(=O)Nc2ccccc2)Nc2cc([N+](=O)[O-])ccc2N1 103179013 LEAAHESSCKZFHD-LLVKDONJSA-N 354.370 3.346 50 1 FGGF C[C@]1(O)OC[C@@H]([C@@](C)(Cl)C=CBr)C[C@H]1Br 2356535361 XHCSYCLPVDIJNC-JXUBOQSCSA-N 362.489 3.401 50 1 FGGF Cc1c(F)ccc2c1[C@@](c1ccc3c(c1)NC(=O)CO3)([C@@H](C)Cl)NCC2 962373761 JAWZXWLANRXJQM-ODXCJYRJSA-N 374.843 3.482 50 1 FGGF O=C(c1c(CO)oc2cc(Br)cnc12)[C@H](Cl)CCl 587276211 JZBVHJKFIGZDBG-ZCFIWIBFSA-N 352.999 3.112 50 1 FGGF COC(=O)c1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2c1OC 586971787 YXINOGFFWKCUOL-LBPRGKRZSA-N 371.231 3.219 50 1 FGGF COc1ccc(/C=N\NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 12340722 JDBVPCOXRNSLLB-UKWGHVSLSA-N 354.435 3.268 50 1 FGGF Cn1/c(=N/NC(=O)OC(C)(C)C)sc2cc(OC(F)(F)F)ccc21 53184547 FUIQGHNKTMAKMT-WQRHYEAKSA-N 363.361 3.479 50 1 FGGF CCOc1cc(/C=C(\C#N)C(N)=O)cc(CSc2ccc(O)cc2)c1O 33984364 YMONKAACCNVIKX-NTUHNPAUSA-N 370.430 3.181 50 1 FGGF Cn1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587542733 IJYPSMNWYLFLES-LPHOPBHVSA-N 370.792 3.222 50 1 FGGF CC/C(=N/NC(=O)c1ccccc1O)c1c(C)nn(-c2ccccc2)c1O 6190941 WNMVFRYEHLZZQA-PGMHBOJBSA-N 364.405 3.136 50 1 FGGF C=C1CCC=C(C)C(=O)[C@@H]2OC(=O)C(=C)[C@@H]2C[C@@H]2O[C@]2(C)CC[C@@H]1OO 2356796055 MTKKKAYMCSNBBV-ZMHQTACCSA-N 362.422 3.136 50 1 FGGF C[C@]12CC[C@@H]3c4ccc(SS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O 38495181 IYQQNJZFXCJOEX-CBZIJGRNSA-N 365.520 3.407 50 1 FGGF CCCCNC(=O)/C(C#N)=C/c1c(C)n(CCN(C)C)c2ccccc12 40973014 DZLXTQRRXWMTGU-SAPNQHFASA-N 352.482 3.335 50 1 FGGF CC(=O)C1=C(O)/C(=C(\C)Nc2c(Cl)cccc2Cl)C(=O)OC1=O 169320189 SFONQQKLTKSGEE-POHAHGRESA-N 356.161 3.164 50 1 FGGF COc1ccc2c(c1)c1c(n2C)[C@@H]2C[C@H]3C(C=O)=C(C)OC[C@H]3[C@H](C1)N2C 85916530 HDNASRQCNMQTQY-KGSNELEXSA-N 366.461 3.224 50 1 FGGF C[C@@H](c1ccc(CBr)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586972959 DECWYRXHZPJEFO-ZETCQYMHSA-N 366.650 3.417 50 1 FGGF CCO[P@](=O)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425477 XHJIIZZKZBZQST-XMMPIXPASA-N 362.753 3.186 50 1 FGGF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1 587052089 YEPUWJPGQJKSQV-UHFFFAOYSA-N 371.828 3.081 50 1 FGGF O=C1C[C@](/C=C\N2CCOCC2)(CCl)Oc2c1ccc1c2CCCC1 587499588 WBDXJGNEAWTGCH-WHXUGTBJSA-N 361.869 3.354 50 1 FGGF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](NC(=O)CCl)C(C)C)CC2=O 587461915 VCULEJWXZQPYHM-RBUKOAKNSA-N 367.873 3.448 50 1 FGGF CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1coc2ccccc2c1=O 28645862 NUFWIHSGFZROBS-UHFFFAOYSA-N 364.401 3.379 50 1 FGGF CCOC(=O)c1ccc(/N=N/N(C)C(=O)NCCc2ccc(O)cc2)cc1 43074406 RNXZMUDKSAODTP-QURGRASLSA-N 370.409 3.452 50 1 FGGF CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)CO)cc1 473087531 KKODQLTWNQJXTF-UHFFFAOYSA-N 368.477 3.424 50 1 FGGF CCOC(=O)[C@H](Cl)[C@]1(CC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587373212 QJNZUIJTALPIJL-WMZOPIPTSA-N 353.846 3.498 50 1 FGGF CCN(CC)C(=O)OCC[C@@H]1CCC[C@@H]2CC[C@]3(C)OO[C@]12[C@H](OC)O3 43845624 VYFXZNNVPSHMRZ-LHHMMCJZSA-N 371.474 3.471 50 1 FGGF CC(C)(F)[C@H](Br)c1nc2nc(Br)c[nH]c-2n1 587086488 AVBXZKHHZSMIJW-RXMQYKEDSA-N 352.005 3.251 50 1 FGGF COC(=O)C1=C(CCl)NC(C)=C(C#N)[C@@H]1c1ccnc2ccccc12 49125805 FLUAOTJNABTFRM-KRWDZBQOSA-N 353.809 3.385 50 1 FGGF N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H](CO)c1ccccc1 73157050 RAFLGCTUDXYLEL-SBNBMVPLSA-N 371.780 3.005 50 1 FGGF Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC=C2C=CC(=O)C=C2)cc1 15885010 RGTJQASOOXNYSF-UHFFFAOYSA-N 373.412 3.061 50 3 FGGF Cc1cccc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)c1 95554665 ZBSHNVSXBKVEEZ-UHFFFAOYSA-N 368.842 3.123 50 1 FGGF CC(=O)O[C@@H]1C(=O)C2=CC3=C(C=O)[C@H](O)CC[C@]3(C)CC[C@@]2(C)[C@@H]1C(C)C 85827438 KCPNSIPCHJTGHJ-VBCWZRPASA-N 374.477 3.156 50 1 FGGF biogenic CC(C)=CCN1C(=O)/C(=N/NC(=O)c2ccc(F)cc2)c2ccccc21 1857772321 AOHYJLWKSLIUOI-RELWKKBWSA-N 351.381 3.273 50 1 FGGF N[P@](=O)(OCCc1noc2ccccc12)N(CCCl)CCCl 27627576 KDBSQDHNRYZIFP-QFIPXVFZSA-N 366.185 3.233 50 1 FGGF CC1(C)C=C(/C=N/Nc2ccc([N+](=O)[O-])cc2)C(C#N)=C(O)C1(C#N)C#N 31861335 VPJVFSVZRQIGQX-LSFURLLWSA-N 362.349 3.328 50 1 FGGF COc1cc2c3c(c1)O[C@@](CCl)([C@H](C#N)c1nc(C)cs1)[C@@H](C2)C3=O 587453663 XYTFCKBJGSRSMX-VEVIJQCQSA-N 374.849 3.493 50 1 FGGF C=C1C(=O)O[C@H]2C[C@](C)(O)CCC[C@](C)(OO)C/C=C\[C@@]3(C)O[C@H]3C[C@@H]12 169290226 RMIIGKMFIMPTKP-YLSLNXBMSA-N 366.454 3.151 50 1 FGGF CCOC(=O)C[C@@]1([C@@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 587374172 OITXDHVJTKQDQL-QLJPJBMISA-N 370.243 3.018 50 1 FGGF CCOc1ccc2ccccc2c1/C=N/NC(=O)c1c(C)cc(C)[nH]c1=O 1021766 CMBLSGIVLVGVDC-WSDLNYQXSA-N 363.417 3.308 50 3 FGGF N[P@](=O)(OCc1ccc([N+](=O)[O-])s1)N(CCCl)CCCl 26379340 DPWMZZCDKXBXIM-IBGZPJMESA-N 362.175 3.019 50 1 FGGF C[C@H](CC(=O)O)O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 43649553 XLVHMGYCRCYDJQ-WNTCPWGBSA-N 370.442 3.074 50 1 FGGF CCCC(=O)OC[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 1772636233 FJXKTXHJCCBZJW-CLZWAGIQSA-N 354.443 3.334 50 1 FGGF C=C(C=O)[C@@H]1Oc2ccc([C@H](C)OC(=O)C(C)=CC)cc2[C@H]1OC(C)=O 2356641019 XXCQISRHXYIMSQ-FASAQXTFSA-N 358.390 3.377 50 1 FGGF COC(=O)C[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587685889 BTEJDQNJGDGRLE-RMLUDKJBSA-N 364.642 3.120 50 1 FGGF CC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)no1 1047718 NNRZOSACWNRZCE-UHFFFAOYSA-N 355.316 3.066 50 3 FGGF N[C@H](CCl)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587010546 LQCJUHUOISPDFG-RXMQYKEDSA-N 358.545 3.463 50 1 FGGF Cc1nn(CCCCl)c(C)c1[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21 962928947 USNBWOGTQTURPN-LJQANCHMSA-N 374.916 3.066 50 1 FGGF C=C1C(=O)O[C@@H]2C[C@](C)(O)CCC[C@](C)(OO)C=CC[C@]3(C)O[C@H]3C[C@H]12 2356824283 GUFZVUQDMUFCHU-URTLRTLISA-N 366.454 3.151 50 1 FGGF Cc1nn(CCCCl)c(C)c1[C@H]1NCCc2ccc(C(=O)N(C)C)cc21 962928930 USNBWOGTQTURPN-IBGZPJMESA-N 374.916 3.066 50 1 FGGF CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H](N=[N+]=[N-])[C@@H]1Br 169401192 SEEHGZFDYGBTEN-YGRLFVJLSA-N 362.183 3.414 50 1 FGGF Cc1ccc(C(=O)/C(C#N)=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1650997 VDVUZQFKGSAEIW-NBVRZTHBSA-N 372.428 3.495 50 1 FGGF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)C/C=C\[C@@](C)(OO)CC[C@H]2O 238752283 UVJNJQSZPMSYRE-ZUFCPOBSSA-N 366.454 3.151 50 1 FGGF Cn1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1CCl 587881579 RMYNXHDUGIISNY-UHFFFAOYSA-N 370.667 3.176 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C1CCOCC1)O2 587373552 MACGOMDVTUPTFP-MRXNPFEDSA-N 354.244 3.103 50 1 FGGF COc1cc2c3c(c1)O[C@@](CBr)(C(C)(C)OC)[C@@H](C2)C3=O 587414459 MKNKVPXVRZUOQY-MEDUHNTESA-N 355.228 3.001 50 1 FGGF Cc1sc2c(c1C)CCN[C@]2(CCl)c1ccc2c(c1)NC(=O)CO2 963004271 BPHKKJVQWSEELY-GOSISDBHSA-N 362.882 3.324 50 1 FGGF NNC(=O)c1ccc2nc(-n3nc4cc3Oc3ccc(F)cc3-4)sc2c1 587876614 RVRMMMVKGURBLT-UHFFFAOYSA-N 367.365 2.997 50 1 FGGF C=C1C(=O)O[C@H]2C(=O)[C@H](C)CCC[C@](C)(OO)/C=C/C[C@@]3(C)O[C@@H]3C[C@@H]12 49878133 BTJROEGVRQVIDB-TWTWDSDTSA-N 364.438 3.216 50 1 FGGF C[C@@]12CC3CC(C(=O)NNc4nc(Cl)nc5nc[nH]c45)(C1)C[C@](C)(C3)C2 261164525 RPFBQGFWWOIYEF-FOOSQJBDSA-N 374.876 3.446 50 1 FGGF C/C(=N\NC(=O)COc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 6997271 UKKJAMFAGQQQLR-UDWIEESQSA-N 360.797 3.030 50 3 FGGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 103175364 OCEUVHLZANAROC-UKRRQHHQSA-N 360.200 3.187 50 1 FGGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1nc2ccccc2o1 95563091 GMMRXFBRBDXXBS-DJKKODMXSA-N 374.194 3.450 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCSCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 66101330 SYWYYTAWBKSKTJ-NQWKWHCYSA-N 369.527 3.243 50 1 FGGF S=C(SSC(=S)N1CCSCC1)N1CCSCC1 38793690 PJJXATNEHBOAAJ-UHFFFAOYSA-N 356.654 3.035 50 1 FGGF C=C1C(=O)O[C@@H]2C(=O)C(C)=CCC[C@](C)(OO)C=CC[C@]3(C)O[C@@H]3C[C@@H]12 2356800382 PZVJKRYLBVBGHB-SSGANFLRSA-N 362.422 3.136 50 1 FGGF C/C(N)=C(\C#N)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689049 PCGOAJJWABXROF-VMVBTILMSA-N 372.669 3.313 50 1 FGGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cocn1 587542617 HVVAVKBDSZVIIY-QAPCUYQASA-N 357.749 3.476 50 1 FGGF CC[C@]1(C(=O)OC(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348372 OCKVGTWWBDGEQW-PXNSSMCTSA-N 372.348 3.129 50 1 FGGF COc1cc2c(c(OC)c1CBr)C(=O)c1ccccc1C2=O 36441163 PXNKUQYPPWDMFV-UHFFFAOYSA-N 361.191 3.374 50 1 FGGF NNC(=O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587163869 VOOPCRSCTJSAHQ-UHFFFAOYSA-N 374.375 3.204 50 1 FGGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@](O)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169331753 QPGCYSREBONXHE-REECGULKSA-N 352.349 3.119 50 1 FGGF O=C(CCl)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 6535181 MHJKTYAIXNKDHU-VXLYETTFSA-N 350.205 3.281 50 1 FGGF COC(=O)C1=C(CCl)NC(C)=C(C#N)[C@H]1c1ccnc2ccccc12 49071031 FLUAOTJNABTFRM-QGZVFWFLSA-N 353.809 3.385 50 1 FGGF CN(C)CCSSCCCn1cc(-c2ccc([N+](=O)[O-])cc2)nn1 618010113 PTRYGBBWRBTZOR-UHFFFAOYSA-N 367.500 3.186 50 1 FGGF C[C@@H](c1ccc(CBr)cc1)c1nc2c(O)nc(S)nc2[nH]1 586973408 JVRTZDLHUVRMHM-ZETCQYMHSA-N 365.256 3.394 50 1 FGGF CC(=O)OC[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689863 XJKNMMURGVVESY-RMLUDKJBSA-N 364.642 3.120 50 1 FGGF CC(C=CC=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@](C)(CO)[C@@H](O)CC[C@]21C 2356587407 JPMWBEHLCOISNJ-AUHDTZKSSA-N 360.494 3.223 50 1 FGGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC)c1ccc(Cl)c(B(O)O)c1 963233829 DHMKZPGNBVEBAZ-VFNWGFHPSA-N 371.717 3.330 50 1 FGGF Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-c2ccco2)c1 1857559194 ZKGQTSHJCCJMGL-UHFFFAOYSA-N 374.393 3.017 50 1 FGGF N#Cc1ccc(-c2ccc(OCC(=O)N/N=C\c3ccncc3)cc2)cc1 33414526 RKRCZQHKWRDOJI-OYKKKHCWSA-N 356.385 3.149 50 1 FGGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cocn1 587542612 HVVAVKBDSZVIIY-CRAIPNDOSA-N 357.749 3.476 50 1 FGGF Cc1cc(C(=O)N/N=C\c2ccc(OC(=O)c3ccco3)cc2)c(C)o1 33620447 CIMISYQYNCIWLG-JAIQZWGSSA-N 352.346 3.473 50 1 FGGF CCCc1c(O)ccc2c1O[C@](C(=O)OC)([C@@H](C)Br)CC2=O 587450594 GMSGISFXPOLBEC-ABKXIKBNSA-N 371.227 3.005 50 1 FGGF O=C(NN/C=C1\C(Cl)=Nc2ccccc21)c1ccc2c(c1)OCCO2 13123097 GLWAFELEKSFLHU-RAXLEYEMSA-N 355.781 3.016 50 3 FGGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC=C[C@@](C)(OO)CC[C@H]2O 2356644822 UVJNJQSZPMSYRE-YDMLNEHTSA-N 366.454 3.151 50 1 FGGF O=C(N/N=C/c1ccccn1)c1cnn(-c2ccccc2)c1C(F)(F)F 753005 HHIZOVLDNKXLNS-LSHDLFTRSA-N 359.311 3.050 50 1 FGGF C=C(C=O)[C@@H]1Oc2ccc([C@@H](C)OC(=O)/C(C)=C/C)cc2[C@H]1OC(C)=O 238748412 XXCQISRHXYIMSQ-WOVGAATGSA-N 358.390 3.377 50 1 FGGF CCOC(=O)[C@H](Cl)[C@]1(CC(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417706 OUZYCVIQQVRIRS-XVGQJIODSA-N 366.841 3.398 50 1 FGGF CC(=O)OC[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587689862 XJKNMMURGVVESY-CLAHSXSESA-N 364.642 3.120 50 1 FGGF Oc1cccc2c1[C@H](O)[C@H](Cl)[C@@H](O)C21Oc2cccc3cccc(c23)O1 2356462857 HMNTVNBFGYYJPC-GBESFXJTSA-N 370.788 3.185 50 1 FGGF CCN(CC)c1ccc(C(=O)NCCSSCCN(C)C)cc1 618007962 OPDUFGSXXPKRKW-UHFFFAOYSA-N 355.573 3.206 50 1 FGGF O=C1OC(=O)c2cc(-c3nc4cc(F)cc(Br)c4[nH]3)ccc21 586905968 GXUBJIYAIVYDSQ-UHFFFAOYSA-N 361.126 3.442 50 1 FGGF CC(C)(NC(=O)CCl)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587009994 YRRKROHVMFXZNB-UHFFFAOYSA-N 353.813 3.249 50 1 FGGF Clc1ncc(I)c2nc(CBr)[nH]c12 586972557 WQGHRAQLVWHFAI-UHFFFAOYSA-N 372.391 3.111 50 1 FGGF C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@H]2[C@]1(C)O 238760935 NPRJCRQECPZJIM-IFHJUMTCSA-N 366.454 3.199 50 1 FGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587422760 RTZWUQYQEOGRBO-VBKZILBWSA-N 372.804 3.348 50 1 FGGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 586974126 RBEJGDKWZXBIBK-SNVBAGLBSA-N 373.254 3.213 50 1 FGGF CC(=NNC(=O)C(C)C)c1c(O)n(-c2ccccc2)c2ccccc2c1=O 2356872198 YQHPABPJSYZSSS-UHFFFAOYSA-N 363.417 3.193 50 1 FGGF CC(=O)OC[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689864 XJKNMMURGVVESY-RTHLEPHNSA-N 364.642 3.120 50 1 FGGF COc1cccc2c3c(cnc12)CCN[C@]3(CCl)c1c(C)noc1C 963047377 OPXJDRBIYIILJI-LJQANCHMSA-N 357.841 3.476 50 1 FGGF CC(C)CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)/C=C/[C@@H](C)Cl 103286501 HZETXLZPTLZRRF-AZWQULSGSA-N 357.903 3.258 50 1 FGGF O=C1N=c2ccccc2=C1C=C1C=CN(Cc2ccc(CCl)cc2)C=C1 377466635 LXCMYAUVBPCFEY-UHFFFAOYSA-N 360.844 3.206 50 1 FGGF O=CC1=COc2c(ccc3ccccc23)[C@@]12NCCc1c(C(=O)O)cccc12 963131920 PLDLOIIGRLQDBB-HSZRJFAPSA-N 371.392 3.403 50 1 FGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](CBr)(C2CCCC2)N1 962923392 QRQHXWAGANIZJQ-GOEBONIOSA-N 356.235 3.205 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C[C@@H]3CCCC3=O)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103105229 SWDNHJMFIWMEDU-BALPIQRXSA-N 364.438 3.134 50 1 FGGF CCC(CC)C(=O)c1c[nH]c(C(=O)NCCSSCCN(C)C)c1 618009013 ORJAYIAXOJEPDK-UHFFFAOYSA-N 371.572 3.306 50 1 FGGF O=C(N/N=C/c1ccncc1)c1cnn(-c2ccccc2)c1C(F)(F)F 753001 WUGNEJGEWIYIRY-LSHDLFTRSA-N 359.311 3.050 50 1 FGGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(O)cc1 95808536 KPWUMTNIWJQVGH-KGENOOAVSA-N 369.421 3.137 50 1 FGGF CCOC(=O)N1CCC(=NNC(=O)c2ccc(C(F)(F)F)cc2)CC1 1772625855 ZUMCOXFWRVPCHW-UHFFFAOYSA-N 357.332 3.044 50 1 FGGF CN(C(=O)/C(C#N)=C/c1cn(CC(=O)O)c2ccccc12)c1ccccc1 96271128 QCPYUSSMXZNTHP-RVDMUPIBSA-N 359.385 3.296 50 1 FGGF O=C(CCc1nc(O)c2ccccc2n1)N/N=C/c1ccc(Cl)cc1 299856476 IWBJPDWKEMFIEJ-RGVLZGJSSA-N 354.797 3.072 50 1 FGGF Cc1ccc(C(=O)NNC(=O)c2c(C)nc3sc4ccccc4n23)cc1 653802234 ZYSSNOAUTOMCFD-UHFFFAOYSA-N 364.430 3.241 50 1 FGGF COC(=O)[C@H](Cl)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688737 NRKODOFJQVMJHV-FMCKTDMXSA-N 364.642 3.118 50 1 FGGF C=C(C)[C@H]([C@@H]1C=C(CCC(C=O)=C(C)C)C(=O)O1)[C@@]1(OC)C=C(C)C(=O)O1 13384185 IYTPQKWQKYLEMT-WAOWUJCRSA-N 374.433 3.192 50 1 FGGF biogenic O=C(NNc1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ccc(Cl)cc12 26386213 LIRKGZHEVNPJAQ-UHFFFAOYSA-N 358.741 3.056 50 1 FGGF COc1ccc([C@H]2Oc3c(OC)cc(C=CC=O)cc3[C@H]2CO)cc1OC 2356481038 AXBCRVXFVXYBFX-OXQOHEQNSA-N 370.401 3.134 50 1 FGGF CCCCNS(=O)(=O)c1ccc2nc(/C=C\CBr)[nH]c2c1 586972783 BLOCFIXQFYJFOG-PLNGDYQASA-N 372.288 3.049 50 1 FGGF CCOC(=O)c1cc(Br)c2[nH]c(CBr)nc2c1 586970771 GIDKUFHRCLARAP-UHFFFAOYSA-N 362.021 3.397 50 1 FGGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC=C[C@](C)(OO)CCC2=O 2356411018 WPTRRIXCZXIQKN-MGFONVBGSA-N 364.438 3.360 50 1 FGGF C=C1C(=O)O[C@@H]2C=C(C)C[C@H]3C=C(CC=C[C@](C)(OO)CC[C@@H]12)C(=O)O3 2356704528 WSXLFQQZQWNCIS-LJCCNALRSA-N 360.406 3.261 50 1 FGGF CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1 27548636 KBDHFYWHXNFHOC-XIGQLOAZSA-N 357.435 3.004 50 1 FGGF C/C(=N\NC(=O)c1ccc(-n2cccc2)cc1)C(=O)Nc1cccc(F)c1 1772615002 MCFZYENLOFDCMS-OEAKJJBVSA-N 364.380 3.361 50 1 FGGF Cc1nc2cnccc2n1CCC(=O)N/N=C/c1c(O)ccc2ccccc12 96929697 BNMNJFSCDCRHTA-FSJBWODESA-N 373.416 3.139 50 1 FGGF CN(C)CCSSCCC(=O)N1CCc2c([nH]c3ccccc23)C1 618007863 RUHITXYQKOZJTO-UHFFFAOYSA-N 363.552 3.386 50 1 FGGF CN(C)CCSSCCNC(=O)c1ccc(OC(F)(F)F)cc1 618009399 XHIJDADILSYYGP-UHFFFAOYSA-N 368.446 3.258 50 1 FGGF N#CCc1ccccc1/C(C#N)=C1/OC(=N)[C@H](c2ccccc2CC#N)C1=O 5810605 BESXYZBXFLUMDX-IROYEKLYSA-N 366.380 3.414 50 1 FGGF C/C(C=O)=C\CC[C@H](C)C1=CC[C@@](C)(O)[C@@H]1CC1=C(O)CC[C@H](O)C1=O 13307824 BFJUMKLBIUGBTH-SCSFNYFKSA-N 362.466 3.171 50 1 FGGF COc1ccc([C@](O)(C(=O)NNc2ccc(C)cc2)c2cccs2)cc1 969115 VFOQDVWSFFOOPM-HXUWFJFHSA-N 368.458 3.444 50 3 FGGF COCc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2)ccc1OC 33333650 IZJHOIJEGMLYAD-JMIUGGIZSA-N 362.813 3.024 50 3 FGGF CCNc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(OC)c2c(c1)OCO2 34228113 DXSAARNZHKXGBF-SFHVURJKSA-N 365.389 3.074 50 1 FGGF CC(C)(N)CNCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 43569765 RQBAFDKVNQCCKN-UHFFFAOYSA-N 364.530 3.331 50 1 FGGF C/C=C(\C=O)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC 17128969 NTVLUSJWJRSPSM-BEMAIXDQSA-N 350.418 3.289 50 1 FGGF COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(O)c(OC)c1 49071492 HPRVBKUTNNZYDR-ZVBGSRNCSA-N 368.311 3.192 50 1 FGGF CC(=O)NCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587371944 IJMMIKMQYCBGEC-HXUWFJFHSA-N 372.852 3.313 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](O)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101168290 QPGCYSREBONXHE-YFNMPKMDSA-N 352.349 3.119 50 1 FGGF COc1ccc(/C=N\NC(=O)c2cc(OC)ccc2Br)cc1 103186213 ZFWMCDWUFLDBDA-ZDLGFXPLSA-N 363.211 3.230 50 1 FGGF C=C1C(=O)O[C@@H]2C=C(C)C[C@H]3C=C(CC=C[C@@](C)(OO)CC[C@@H]12)C(=O)O3 2356704529 WSXLFQQZQWNCIS-MIALQEHNSA-N 360.406 3.261 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1ccc(O)c(O)c1)O2 587407482 AGGJCAWPYPZCIT-GOSISDBHSA-N 356.403 3.063 50 1 FGGF COc1ccccc1C(=O)N/N=C1/C(=O)N(CC=C(C)C)c2ccccc21 1857653301 VWJFFQPRAMXSPL-ZBJSNUHESA-N 363.417 3.142 50 1 FGGF COc1cc(/C=N/NC(=O)c2nc(C(C)C)cs2)cc(OC)c1OC 45290426 JBPKKEIXVTXOHD-QGMBQPNBSA-N 363.439 3.056 50 1 FGGF CC(=O)O[C@@H]1C(=O)C2=CC3=C(C=O)[C@H](O)CC[C@]3(C)CC[C@@]2(C)[C@H]1C(C)C 85827439 KCPNSIPCHJTGHJ-OCFWJZSCSA-N 374.477 3.156 50 1 FGGF biogenic C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(CCl)=CC2=O)N1 587682240 BXKILXGRNCHISF-AYVTZFPOSA-N 374.637 3.040 50 1 FGGF CCOC(=O)[C@]1(CCCCCCCl)NCCc2nc3ccccn3c21 962988234 XOKQSNCYGKHVEL-LJQANCHMSA-N 363.889 3.428 50 1 FGGF CC[C@@]1(C(=O)OC(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348364 OCKVGTWWBDGEQW-FXAWDEMLSA-N 372.348 3.129 50 1 FGGF Cc1ccnc2[nH]c([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)nc12 587009793 SVCMBUGNAVTGKN-HNNXBMFYSA-N 367.840 3.386 50 1 FGGF C=C(C)[C@H]([C@H]1C=C(CCC(C=O)=C(C)C)C(=O)O1)[C@@]1(OC)C=C(C)C(=O)O1 14921339 IYTPQKWQKYLEMT-DBXWQHBBSA-N 374.433 3.192 50 1 FGGF biogenic Cc1ccc(-c2cc(CCl)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 38620460 ZMLUOAZYIYQODN-UHFFFAOYSA-N 361.854 3.234 50 1 FGGF CN(C)C(=O)c1ccc2c(c1)[C@](C)(C(C#N)=C1Nc3ccccc3N1)NCC2 962923578 IGNWJWWKKVPAJZ-JOCHJYFZSA-N 373.460 3.022 50 1 FGGF N#C/C(=C(/O)COC(=O)c1cccnc1Cl)c1nc2ccccc2[nH]1 101818009 XCPRSWGZMFVGJK-KAMYIIQDSA-N 354.753 3.261 50 1 FGGF O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](O)c1ccccc1 6344574 HVYAPCKANOETKX-HRVJUDJTSA-N 365.345 3.039 50 1 FGGF O=C(N/N=C\c1ccc([N+](=O)[O-])s1)c1ccccc1Br 8672637 KIMCEDHUGFCYEE-AUWJEWJLSA-N 354.185 3.183 50 1 FGGF CCC[C@H]1C=C[C@H](CCC[C@]2(OC)C=C[C@@H](CC(=O)OC)OO2)OO1 44418094 VZSAJLFIIGOYQK-NBOOPKSLSA-N 356.415 3.004 50 1 FGGF O=C1OC(=O)c2cc(-c3nc4ccc(F)c(Br)c4[nH]3)ccc21 586907648 NGVUGVNVCIJLNL-UHFFFAOYSA-N 361.126 3.442 50 1 FGGF COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1ccc(Cl)cc1 13445948 ORZXNMISRAEIDO-UHFFFAOYSA-N 357.841 3.192 50 1 FGGF COC(=O)C=C(C=O)[C@@H]1C[C@@H]2[C@](C)(CC(=O)[C@H]3C(C)(C)CCC[C@@]32C)O1 2356570873 YQXPIEBOLNGSLQ-SLCLMUJNSA-N 362.466 3.254 50 1 FGGF CC(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641025 ZAFMLQFQBGCMGZ-UHFFFAOYSA-N 363.461 3.484 50 1 FGGF CCOC(=O)c1c([C@H](C)Br)[nH]c2ccc(S(C)(=O)=O)cc12 587648845 MKRRWERQUFCUHB-QMMMGPOBSA-N 374.256 3.204 50 1 FGGF CCCc1c(O)ccc2c1O[C@]1(CCOC[C@H]1Br)CC2=O 587458048 FULNNYQUFXWDEV-GDBMZVCRSA-N 355.228 3.233 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1nccs1)O2 587413883 QUFAULPOVVCGGV-CQSZACIVSA-N 353.241 3.289 50 1 FGGF N#CCC1=NN=C(c2ccc(Br)cc2)[C@@H](Br)O1 71296757 KNSNCGKELQGARN-NSHDSACASA-N 357.005 3.217 50 1 FGGF C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccc(N)cc1 73160948 DJKXWKHZGXPSDC-GJSJWPQCSA-N 371.238 3.211 50 1 FGGF C[C@@H]1C(=O)O[C@H]2C[C@H]1CC[C@]1(C)O[C@@H]1CC[C@@](C)(OO)C=CC[C@@]2(C)O 2356645790 FHEAMGLYVLIVOJ-MFUXLOJLSA-N 368.470 3.231 50 1 FGGF CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@]2(C)C[S@](=O)c1ccccc1 299810614 OEFDWGOFZFVNPW-UBXMCZLWSA-N 352.452 3.005 50 1 FGGF O=C(N/N=C/c1c(F)cc(F)cc1F)c1n[nH]c2c1Cc1ccccc1-2 1857561475 QHNVGCCBYAUBIU-GZIVZEMBSA-N 356.307 3.162 50 1 FGGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)C=C[C@H](CC)O1 2356605790 RLYHYXSICKPCGG-OYSTVDSJSA-N 368.857 3.160 50 1 FGGF O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/C=C/c1ccccc1 103232016 BZJKNRBKBAOAAH-KCHOUBKZSA-N 365.418 3.039 50 1 FGGF Cc1c(F)ccc2c1[C@](CCl)(c1ccc3c(c1)NC(=O)[C@H](C)O3)NCC2 962143568 IGYJRAGQVAKQNB-YUNKPMOVSA-N 374.843 3.482 50 1 FGGF N=C(N)Nc1ccc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)cc1 40563743 MLPQIHOIJHCNBP-UHFFFAOYSA-N 371.780 3.056 50 1 FGGF CCOC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1CCCCCl 587648747 HFNRIHVRQIRGJF-UHFFFAOYSA-N 357.859 3.310 50 1 FGGF COC(=O)[C@]1([C@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 587498974 KRQBTUFXHAMZIL-DYZYQPBXSA-N 367.239 3.226 50 1 FGGF CCOC(=O)[C@@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963105326 IJFXTDDCQARRHG-ZDUSSCGKSA-N 367.070 3.292 50 1 FGGF C=C(C=O)[C@@H]1Oc2ccc([C@@H](C)OC(C)=O)cc2[C@H]1OC(=O)CC(C)C 2356582225 XQHWUPXUEFPMSI-CAYVGHNUSA-N 360.406 3.457 50 1 FGGF C[C@]12CC[C@@]3(O)[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@]2(O)C#N 2356765732 LKEPHUQNDKLJEI-LVCSPDSFSA-N 373.493 3.062 50 1 FGGF O=C(OC1CSSC1)c1ccccc1I 96283341 VAEKBOOMDNCJQV-UHFFFAOYSA-N 352.218 3.212 50 1 FGGF COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@H]2C(C=O)=C(C)OC[C@H]2[C@H](C3)N1C 238779662 ONBPJDNLJKBJSV-KTGNWYGMSA-N 352.434 3.213 50 1 FGGF COc1cc(/C=C(\C#N)C(N)=O)cc(CSc2ccc(C)cc2)c1O 13833845 PIEHGIDXVHAXHW-VGOFMYFVSA-N 354.431 3.394 50 1 FGGF CC(=CC[C@H](O)[C@](C)(Br)CCl)C(=O)CBr 2356765689 JFBIONWRLPBEBH-VHSXEESVSA-N 362.489 3.040 50 1 FGGF C=C1[C@@H](CC[C@H]2CC(=O)NC2=O)[C@@]2(C)C[C@@H](Cl)CC(C)(C)[C@H]2C[C@H]1O 2356859101 SRDHHMUVZQNDOM-XKJUKCGPSA-N 367.917 3.416 50 1 FGGF C=C(c1ccccc1)[C@H]1COC2(CCC(O)(CC(=O)OCC)CC2)OO1 43482075 AAOHLCLYDAWUPU-QHGAOEGBSA-N 362.422 3.001 50 1 FGGF O=C(Nc1nnc(C(F)(F)F)s1)[C@@H](Br)C1CCCC1 103278940 ADWXVJPDDUMUJT-LURJTMIESA-N 358.183 3.449 50 1 FGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnc(O)[nH]2)N1 587686989 YJEYAGJAJOPLLB-JKYUHCHBSA-N 374.641 3.034 50 1 FGGF CCOC(=O)[C@@H](Cl)[C@@]1(CC(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417707 OUZYCVIQQVRIRS-XVSDVWIESA-N 366.841 3.398 50 1 FGGF COc1ccc(Cl)cc1C(=O)NCCCSSCCN(C)C 618008018 QJOZRGPFCLCCLX-UHFFFAOYSA-N 362.948 3.412 50 1 FGGF O=C(O)c1ccc2c(c1)S(=O)(=O)c1ccccc1N2CCCCl 1857614275 PUJGJTXIOSURCX-UHFFFAOYSA-N 351.811 3.298 50 1 FGGF COc1cc(C(=O)N/N=C/c2ccc(N(C)C)c3ccccc23)ccc1O 13864059 YTSVKUYTECYXMS-LPYMAVHISA-N 363.417 3.384 50 1 FGGF C=C1CC[C@@H]2C(=C)C(=O)O[C@H]2C=C(C)C[C@H]2C=C(CC[C@H]1OO)C(=O)O2 2356447103 VTUGHLCKKNSTAF-MLHJIOFPSA-N 360.406 3.261 50 1 FGGF Cc1c(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166532 VSIORTPVKGQFFF-UHFFFAOYSA-N 363.396 3.286 50 1 FGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnn(C)c2)N1 587682820 DSJBBWLLSGORQF-BJOHPYRUSA-N 372.669 3.338 50 1 FGGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc2nc3ccccc3nc12 6041339 AMHFGXOHFJJBSJ-CIAFOILYSA-N 371.356 3.455 50 1 FGGF O=C(COc1ccc2ccccc2c1)NNC(=O)Nc1ccccc1F 15934249 QKOQBRJFARCKSJ-UHFFFAOYSA-N 353.353 3.211 50 3 FGGF O=C1c2c(O)cccc2C2(Oc3cccc4cccc(c34)O2)[C@H](O)[C@@H]1Cl 2356721978 VERJQRRBSKVZER-IEBWSBKVSA-N 368.772 3.334 50 1 FGGF N#CC1=C(N)OC2=C(CNc3c2cccc3[N+](=O)[O-])[C@H]1c1cccs1 1772611696 PAXMPHYNUUVRGK-AWEZNQCLSA-N 352.375 3.301 50 1 FGGF O=C(NNc1ncnc2sc3c(c12)CCCC3)c1nc2ccccc2[nH]1 1772631340 OAVWZWUWHDIQCZ-UHFFFAOYSA-N 364.434 3.203 50 1 FGGF CC(=O)NCCCc1ccc([C@]2(CCl)NCCc3c(C)ccnc32)cc1 963072773 VEUSREMZQONJDB-NRFANRHFSA-N 371.912 3.087 50 1 FGGF O=C1OC(=O)c2cc(-c3nc4cc(Br)c(F)cc4[nH]3)ccc21 586905830 DJSGBMUCXCCNEM-UHFFFAOYSA-N 361.126 3.442 50 1 FGGF N#CC1=C(N)n2nc(N)c(Cc3ccco3)c2N[C@@H]1c1ccc(Cl)cc1 957605575 FXNZUDIAPFWKAM-OAHLLOKOSA-N 366.812 3.120 50 1 FGGF CCn1ncc([C@@]2(CCl)c3ccsc3CCN2Cc2ccco2)n1 962704080 IJGUDQDKJTYMFF-QGZVFWFLSA-N 362.886 3.493 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(N(C)C=O)cc1)O2 587373069 PMHGDJAWGBGJBZ-IBGZPJMESA-N 358.825 3.269 50 1 FGGF Cn1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587542724 IJYPSMNWYLFLES-APWZRJJASA-N 370.792 3.222 50 1 FGGF CC1(C)C[C@@H](OC(=O)NCCCl)c2c(ccc3ccc(=O)oc23)O1 40919022 VUOWJZIEEDUWJC-GFCCVEGCSA-N 351.786 3.360 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C(=O)O)cs1)O2 587409697 JDNDPTYCIIXQHL-MRXNPFEDSA-N 351.811 3.436 50 1 FGGF CCCc1c(O)ccc2c1O[C@](CBr)(C(=O)OCC)CC2=O 587455336 AKVCFAXVUCHVAL-MRXNPFEDSA-N 371.227 3.007 50 1 FGGF COC(=O)CS[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 1857548969 FMOLPCMEJIELJV-LQZBUGDKSA-N 372.483 3.101 50 1 FGGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(Br)cc1 95808715 QGUVLOZJBUUGJI-LDADJPATSA-N 369.259 3.413 50 1 FGGF CN(C)CCSSCCCNC(=O)c1ccc(C(F)(F)F)nc1 618017097 CUGWQVQGEHJRQV-UHFFFAOYSA-N 367.462 3.163 50 1 FGGF C[C@H](Br)C(=O)c1c(CO)oc2cc(Br)cnc12 587274707 ZKTUDEGMUGRBGA-YFKPBYRVSA-N 363.005 3.049 50 1 FGGF CC(C)(Oc1ccc(-c2csc(NC(=O)CCl)n2)cc1)C(=O)O 66252706 VMYSYRRODVYBSP-UHFFFAOYSA-N 354.815 3.229 50 1 FGGF C/C(=N\NC(=O)COc1cccc2ccccc12)c1ccc(O)cc1O 103293460 BZRPYDCSVJJHNC-FYJGNVAPSA-N 350.374 3.170 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](/C(C#N)=C\N(C)C)(c1cccs1)O2 587412699 KCRWKMHVFSTJKV-QXFGJRORSA-N 353.447 3.469 50 1 FGGF COC(=O)CCCCCCC(=O)N/N=C/C=C/c1ccc(O)c(OC)c1 95808686 XGGMNAZCLSIXIP-AADYKHLVSA-N 362.426 3.030 50 1 FGGF CO[C@](C)(/C=C1/C=C(C)C(=O)O1)C[C@H]1C=C(CCC(C=O)=C(C)C)C(=O)O1 13384204 MSDPTAGLGJLKRT-KBLPUMHJSA-N 374.433 3.336 50 1 FGGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)NN)c(Cl)c1 587902544 YHLBUPRGOHDCER-UHFFFAOYSA-N 350.205 3.397 50 1 FGGF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@@H]2[C@@]1(C)O 2356455958 NPRJCRQECPZJIM-LNKGRISISA-N 366.454 3.199 50 1 FGGF CCCCCC(=O)[C@@H](Br)C=C(Br)C(=O)OC 2356804498 ZDKBWWBSCGXXDR-QMMMGPOBSA-N 356.054 3.351 50 1 FGGF COc1ccc2c3c(n(C)c2c1)[C@H]1C[C@H]2C(C=O)=C(C)OC[C@H]2[C@@H](C3)N1C 14417411 OKOHMBRGHIAYBH-FCXXMXSZSA-N 366.461 3.224 50 1 FGGF biogenic CC(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(C)C[S@](=O)c1ccccc1 102193993 OEFDWGOFZFVNPW-XZAYDRGDSA-N 352.452 3.005 50 1 FGGF CN(C)CCSSCCNC(=O)c1ccc(Cl)nc1Cl 618007606 BTDNJLHRMWRBJO-UHFFFAOYSA-N 354.328 3.061 50 1 FGGF O=C(O)CCCCCCC(=O)N/N=C/c1cc(O)ccc1Br 95808450 JQGDLIGQMPZNJP-LICLKQGHSA-N 371.231 3.030 50 1 FGGF C=C(C=O)[C@@H]1Oc2ccc([C@@H](C)OC(=O)C(C)=CC)cc2[C@@H]1OC(C)=O 2356641020 XXCQISRHXYIMSQ-VMDGZTHMSA-N 358.390 3.377 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3ccccn3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43919912 VUFWDQIDRMHCAU-ZYWYLMGOSA-N 372.465 3.276 50 1 FGGF BrCCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 586972099 GKCKFBLNZMISPO-UHFFFAOYSA-N 352.276 3.113 50 1 FGGF COc1ccc(NC(=O)[C@@H]2C[C@]3(C)CCCC[C@@]3(O)[C@@H](Cl)C2=O)cc1 13742785 WDFPQQOSYBAYFX-TWKWOARYSA-N 365.857 3.142 50 1 FGGF CO[C@H]1O[C@@]2(C)OO[C@@]13[C@H](CCO)CCC[C@@H]3C[C@@H]2Cc1ccccc1 43443408 YXVVYCCWOXJNMG-LEKSSAKUSA-N 362.466 3.454 50 1 FGGF C[C@@H](c1ccccc1)N1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1 84704715 CEQKYQRKQFTTBN-YCRPNKLZSA-N 371.440 3.394 50 1 FGGF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1ccnc(CCl)n1 587941897 YOBQNYXSYPIOEK-SNVBAGLBSA-N 354.794 3.141 50 1 FGGF O=C1C=C/C(=C/NNC(=O)C2c3ccccc3Oc3ccccc32)C=C1O 17136199 AMPHUWFYEVDWHJ-SEYXRHQNSA-N 360.369 3.010 50 3 FGGF CC(C)(C(=O)Cl)C(=O)c1c(CO)oc2cc(Br)cnc12 587272701 APKNPXSZDWZKBU-UHFFFAOYSA-N 360.591 3.057 50 1 FGGF CCCc1c(O)ccc2c1O[C@@]1(CCOC[C@H]1Br)CC2=O 587458066 FULNNYQUFXWDEV-ZBFHGGJFSA-N 355.228 3.233 50 1 FGGF C/C(=N/NC(=O)c1cc(Br)ccc1O)c1nc2ccccc2o1 96903507 GMMRXFBRBDXXBS-OCKHKDLRSA-N 374.194 3.450 50 1 FGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](Br)C=O)N1 587670449 KNADLQJSBVTYFK-UTMSNSNXSA-N 365.040 3.126 50 1 FGGF Cc1[nH]nc2c1[C@H](c1cc(=O)oc3c1ccc1ccccc13)C(C#N)=C(N)O2 1857628496 YBDCARDSBMOARG-GOSISDBHSA-N 370.368 3.196 50 1 FGGF C[C@H]1OC2(CCN(C)CC2)C/C1=N\NC(=O)Cc1ccc2ccccc2c1 26506107 PMXMZTMMGOYTRQ-MLVIZHJXSA-N 365.477 3.128 50 1 FGGF CC[C@H](CCl)NC(=O)Nc1ccc(I)cc1 27559631 SJKOCIGWUJAMLG-SECBINFHSA-N 352.603 3.430 50 1 FGGF CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccnc2)c(C(=O)OC)c1 101459829 XOPHCAOZWYJOPW-MSUUIHNZSA-N 351.362 3.219 50 1 FGGF CCOC(=O)c1ccccc1SSc1nc(C)c(C(=O)OC)[nH]1 1857638248 DWIJEFJDCMZLKU-UHFFFAOYSA-N 352.437 3.481 50 1 FGGF CCOc1nc2cccc(C(Br)Br)c2c(=O)o1 27548124 NWLKTTGIWHTWCX-UHFFFAOYSA-N 363.005 3.375 50 1 FGGF C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)N(Cc3ccco3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43397145 CCDVDLYMRUSZMF-YQAIHCLKSA-N 361.438 3.474 50 1 FGGF C[C@H](O)CCC[C@H](O)C=C[C@@H]1[C@H]2C[C@@H](OO2)[C@@H]1CCCCCCC(=O)O 2356737126 WIWFIKCSWKFLRM-KCTOORRSSA-N 370.486 3.215 50 1 FGGF COc1cc2c3c(c1)O[C@@](CCl)(c1nc4ccccc4[nH]1)[C@@H](C2)C3=O 587423863 WPUCWRXHFWNCIF-HXPMCKFVSA-N 354.793 3.453 50 1 FGGF NCCCC(=O)N/N=C(\c1ccccc1)c1ccc(Br)cc1 103195539 IPUKFUWZSASCOS-HEHNFIMWSA-N 360.255 3.057 50 1 FGGF CC[C@@H](CCl)NC(=O)Nc1ccc(I)cc1 27557975 SJKOCIGWUJAMLG-VIFPVBQESA-N 352.603 3.430 50 1 FGGF CO[C@]1(C=C(C)C[C@@H]2C=C(CCC(C=O)=C(C)C)C(=O)O2)C=C(C)C(=O)O1 2356382171 OVTFNRUPJPIJDK-NQIIRXRSSA-N 374.433 3.336 50 1 FGGF CCOC(=O)C[C@@]1([C@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 587374170 OITXDHVJTKQDQL-MGPLVRAMSA-N 370.243 3.018 50 1 FGGF Cc1ccc(C(=O)N/N=C\c2cc3c(cc2Br)OCO3)s1 13108705 UELVREKRQSKZNC-SOFYXZRVSA-N 367.224 3.312 50 3 FGGF COc1ccc2c3c1O[C@H]1[C@H](O[Si](C)(C)C)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169906449 RXSDDUCBUIPWHI-IRRRHHOXSA-N 371.553 3.360 50 1 FGGF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC=C[C@]([C@@H](C)Cl)(C1)[C@@H]23 2356424758 UNQYUBCRSGGIMW-PJBPFLDMSA-N 370.880 3.439 50 1 FGGF C[C@H](Br)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587009042 TWBQXGUAYAQCSJ-YFKPBYRVSA-N 357.151 3.312 50 1 FGGF CC(=O)OC[C@H](Br)[C@@]1(C)CC[C@@H](C(C)(C)Br)O1 31861585 MFOZEGIDWYEJRE-JBLDHEPKSA-N 372.097 3.424 50 1 FGGF Cc1ccnc2c1CCN[C@@]2(CBr)c1ccc(N(C)C)cc1 963085979 IIFSKPKLCAWQII-SFHVURJKSA-N 360.299 3.240 50 1 FGGF CC=C(C=O)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C[C@@H]1C(=O)OC 2356578840 IXZVIOVJBGVURY-LNLFQRSKSA-N 352.434 3.021 50 1 FGGF C=C1CC[C@@H](Cl)[C@](O)(CO)C[C@H]2O[C@]23[C@@H](C(C)(C)O)CC[C@]3(C)CC1 238777241 OHYLVSHITHVTPB-BAIJGVNGSA-N 372.933 3.162 50 1 FGGF CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1 27548640 KBDHFYWHXNFHOC-YWJBVVMDSA-N 357.435 3.004 50 1 FGGF COC(=O)C[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587685890 BTEJDQNJGDGRLE-RTHLEPHNSA-N 364.642 3.120 50 1 FGGF CN(C)c1ccc(C(=O)N/N=C/c2c(Cl)c3ccccc3oc2=O)cc1 1772650408 GJCXQSSOWWYUML-SRZZPIQSSA-N 369.808 3.276 50 1 FGGF C[C@@](Cl)(/C=C/Br)[C@@H]1C[C@H](Br)[C@](C)(O)CO1 36441261 XIOPKILEHGQSHY-VTHCJYECSA-N 362.489 3.196 50 1 FGGF CN(C)CCSSCCNC(=O)c1cc(Cl)ncc1Cl 618007866 LDNQSNKWEIETOK-UHFFFAOYSA-N 354.328 3.061 50 1 FGGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C(=O)O)oc1C)[C@@H](C2)C3=O 587416751 DQPFXNHAIOQEDS-SGTLLEGYSA-N 362.765 3.177 50 1 FGGF CCOCCOC(=O)/C(C#N)=C(/NCc1ccc(Cl)cc1)SC 103183753 FICDJBNUICCGFJ-PFONDFGASA-N 354.859 3.107 50 1 FGGF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@H]2[C@]1(C)O 2356455959 NPRJCRQECPZJIM-SMOSDQRPSA-N 366.454 3.199 50 1 FGGF CC=C(C=O)[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C[C@@H]1C(=O)OC 2356578839 IXZVIOVJBGVURY-JENIJYKNSA-N 352.434 3.021 50 1 FGGF C[C@@H](c1ccccc1)N1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1 84704718 CEQKYQRKQFTTBN-BTYIYWSLSA-N 371.440 3.394 50 1 FGGF CN(C)CCSSCCCC(=O)N=c1cc(-c2cccs2)[nH][nH]1 618007582 GNHJGJCDCVEBON-UHFFFAOYSA-N 370.569 3.222 50 1 FGGF CN(C)CCSSCCNC(=O)Nc1cc(Cl)ccc1C#N 618007742 NLKOVWRFHSRNBV-UHFFFAOYSA-N 358.920 3.276 50 1 FGGF COc1ccc2c(c1)[C@@]1(CCOC[C@@H]1Br)N(C(C)C)CC2 962091094 LGMJPJZNULXMMG-DLBZAZTESA-N 354.288 3.341 50 1 FGGF C=C1C(=O)O[C@@H]2C(=O)[C@H](C)CCC[C@](C)(OO)C=CC[C@]3(C)O[C@@H]3C[C@@H]12 2356494387 BTJROEGVRQVIDB-HIXICXKKSA-N 364.438 3.216 50 1 FGGF C[C@@H](/C(O)=C(\C#N)c1nc2ccccc2n1C)N1C(=O)c2ccccc2C1=O 101618233 UPPAPVMGAXXBDQ-ZNZSVTJWSA-N 372.384 3.051 50 1 FGGF COc1cc(/C=N/NC(=O)c2ccccc2C(=O)c2ccccc2)ccc1O 103169556 SHXDDDLTVODTLX-OEAKJJBVSA-N 374.396 3.396 50 1 FGGF O=C(Nc1ccc([C@]2(CCl)NCCc3ccc(O)cc32)cc1)C1CC1 963327848 ALXGTVBRFIPTCK-FQEVSTJZSA-N 356.853 3.369 50 1 FGGF N[P@@](=O)(OCCc1noc2ccccc12)N(CCCl)CCCl 27627573 KDBSQDHNRYZIFP-JOCHJYFZSA-N 366.185 3.233 50 1 FGGF COc1ccc(Cl)cc1C#Cc1cc(C(C)C)ccc1OCC(=O)NN 587900730 QPLFXGHBKITZSU-UHFFFAOYSA-N 372.852 3.241 50 1 FGGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C=C(C)[C@@]1(OO)CC=C(C)[C@H]21 2356762069 XMEYPBMHVCPWNQ-JZBZHOAESA-N 360.406 3.117 50 1 FGGF COc1cc2c3c(c1)O[C@](CBr)(C1CCOCC1)[C@@H](C2)C3=O 587412988 LGAPPUYZAAFZDN-SUMWQHHRSA-N 367.239 3.003 50 1 FGGF COc1c[c-](/C=C(\C#N)c2nc3ccccc3s2)cc([N+](=O)[O-])c1=O 169688586 VDJUQCHBHIBYGG-IZZDOVSWSA-N 352.351 3.356 50 1 FGGF C=C(CC(=O)C=C(C)C)[C@H](COc1ccc(C(=O)OC)cc1OC)OO 85999513 MOOXEOIDEFSGSX-SFHVURJKSA-N 364.394 3.200 50 1 FGGF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(NC(N)=O)cc1)O2 587373876 TYONBYFMRULZNU-SFHVURJKSA-N 359.813 3.167 50 1 FGGF O=C(O)c1cc(Br)cc2nc(/C=C\CBr)[nH]c12 586972670 ZATCIOSHQXTOLI-UPHRSURJSA-N 360.005 3.432 50 1 FGGF COc1cc2c3c(c1)O[C@@](C)([C@@H](Cl)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587417040 IRRLXJZTRAKJGM-ADLFWFRXSA-N 371.820 3.447 50 1 FGGF CCOC(=O)[C@@H](Cl)[C@]1(CC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587373208 QJNZUIJTALPIJL-AEFFLSMTSA-N 353.846 3.498 50 1 FGGF CN(C)CCSSCCNC(=O)Nc1nc2ccccc2s1 621476431 VSDXBOOXYISPRE-UHFFFAOYSA-N 356.542 3.361 50 1 FGGF C[C@H](C(=O)N/N=C1\SCC(=O)N1C)c1ccc(-c2ccccc2)c(F)c1 103200104 RAWCLNXTTLQNOT-YUDCKQSLSA-N 371.437 3.189 50 1 FGGF C[C@H](CC(=O)O)O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1911582029 XLVHMGYCRCYDJQ-QOZMMOFMSA-N 370.442 3.074 50 1 FGGF COC(=O)CCCCCCC(=O)N/N=C/c1ccccc1Br 95809815 QZMUTLNURULVHW-LDADJPATSA-N 369.259 3.413 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)oc(=O)n3C)O2 587373914 UJQHUHKUDDEDFC-IBGZPJMESA-N 372.808 3.122 50 1 FGGF C=C(C)[C@H]([C@@H]1C=C(CCC(C=O)=C(C)C)C(=O)O1)[C@]1(OC)C=C(C)C(=O)O1 13384186 IYTPQKWQKYLEMT-UEXGIBASSA-N 374.433 3.192 50 1 FGGF biogenic CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)NOCc2ccccc2)cc1 84615881 JPHCNIBNJIBKPB-INIZCTEOSA-N 369.465 3.451 50 1 FGGF BrCc1nc2c(Br)cnc(Br)c2[nH]1 586970788 GWCZMESZIOSTNU-UHFFFAOYSA-N 369.842 3.378 50 1 FGGF COC(=O)C(=O)[C@@H](Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102526 XEYZCZHCBKEOPC-KRWDZBQOSA-N 365.772 3.468 50 1 FGGF O=C1OC(=O)[C@H]2[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 49872154 WALXIPUAMKQNIH-USYVTKNRSA-N 373.408 3.283 50 1 FGGF O=C(O)CCCCCCC(=O)N/N=C/c1ccc(O)cc1Br 95808656 KSPCWTYNKGWHIL-LICLKQGHSA-N 371.231 3.030 50 1 FGGF CCCc1c(O)ccc2c1O[C@](/C=C\N1CCOCC1)(CCl)CC2=O 587460657 VHWPBQHFZQKGKU-RURPWVQCSA-N 365.857 3.133 50 1 FGGF CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@H]1c1cccs1 100087458 VFNVWKRPRANWNO-BXWAGETQSA-N 363.464 3.066 50 1 FGGF CN(C)C[C@H](Br)c1ccc(I)cc1 38543198 PUCZGSQGHORUQP-JTQLQIEISA-N 354.029 3.289 50 1 FGGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 586974121 RBEJGDKWZXBIBK-JTQLQIEISA-N 373.254 3.213 50 1 FGGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC=C[C@](C)(OO)CC[C@H]2O 2356644820 UVJNJQSZPMSYRE-CJEFFJQMSA-N 366.454 3.151 50 1 FGGF Cc1n[nH]c(Cl)c1/C=N\NC(=O)c1cc2c(cn1)[nH]c1ccccc12 103179237 WBUNSQBBNUJXNW-SCDVKCJHSA-N 352.785 3.165 50 1 FGGF CCc1c(C(=O)NN/C=C2\C=NN=C2c2ccc(F)cc2)csc1C 15973857 FMFHUWVKEAKURO-UKTHLTGXSA-N 356.426 3.365 50 3 FGGF O=C(O)/C(Cl)=C(Cl)/C=N/NC(=O)c1cc2ccccc2cc1O 1618361 XWFAWFZGTCKBSI-NXEYJXPOSA-N 353.161 3.035 50 1 FGGF Cc1cc(Br)c(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc1F 587138198 ZVAJKSMZZPBTBO-UHFFFAOYSA-N 363.190 3.043 50 1 FGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(CCl)=CC2=O)N1 587687293 ZQFPDDUGBDFFND-AYVTZFPOSA-N 374.637 3.040 50 1 FGGF Cc1cc(-c2ccco2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F 1857610604 LLSZZONYYVUDJE-UHFFFAOYSA-N 374.393 3.017 50 1 FGGF C=C(C=O)[C@@H]1Oc2ccc([C@@H](C)OC(=O)/C(C)=C/C)cc2[C@@H]1OC(C)=O 238784424 XXCQISRHXYIMSQ-KUGLORBOSA-N 358.390 3.377 50 1 FGGF CC1=C/C(=N\NC(=O)Cc2c[nH]c3ccccc23)c2c(O)cccc2C1=O 169350136 JWSSZIBSKWTKFB-HAVVHWLPSA-N 359.385 3.079 50 1 FGGF Cc1nc2ccccc2nc1CCC(=O)N/N=C/c1ccc(N(C)C)cc1 1857772224 WTHLENKUINUBPG-HYARGMPZSA-N 361.449 3.087 50 1 FGGF Cc1cccc(N2CCN(Cc3oc(CCl)cc(=O)c3O)CC2)c1C 96922703 DFICXGRKXBBKTA-UHFFFAOYSA-N 362.857 3.023 50 1 FGGF O=C(O)CCCCCCC(=O)N/N=C/c1cc(Br)cs1 95809739 SJCFSLIDRJHXHA-OVCLIPMQSA-N 361.261 3.386 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)[C@@H](C)Cl)(c1ccccc1)O2 587370599 ANLVSJYFMUSZSZ-ZUOKHONESA-N 372.852 3.181 50 1 FGGF Oc1nc(O)c2ccc([C@H](Br)Cc3ccccc3F)nc2n1 587368950 XWRCVLYQGHNBFS-SNVBAGLBSA-N 364.174 3.254 50 1 FGGF [C-]#[N+]C1=C(C(F)(F)F)N=C2COC(=O)[C@H]2[C@H]1c1ccc2n[nH]c(C)c2c1 169703239 GRKLXTVXJQFNOE-CHWSQXEVSA-N 360.295 3.276 50 1 FGGF CC(C)(O)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1OO3 38143733 YNILNTJRHDQLDU-XGVHXEIDSA-N 350.455 3.464 50 1 FGGF COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OO 95598188 RLPUDUUKHKTMJZ-UHFFFAOYSA-N 370.493 3.340 50 1 FGGF C/C=C(/C=O)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC 14827337 NTVLUSJWJRSPSM-QEZRQADBSA-N 350.418 3.289 50 1 FGGF COc1ccc(Br)c(C(=O)N/N=C\c2ccc(F)cc2)c1 103183855 FGNLBIOUMCZRJF-NVMNQCDNSA-N 351.175 3.361 50 1 FGGF C[C@H](c1ccc(CBr)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 586972958 DECWYRXHZPJEFO-SSDOTTSWSA-N 366.650 3.417 50 1 FGGF N#C/C(=C\N1CCC(c2nnn3cnc4[nH]ccc4c23)CC1)c1ccccc1 1772624517 VOPVUEZBFPSDIH-GHRIWEEISA-N 369.432 3.350 50 1 FGGF COC(=O)c1cccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1 587371515 GCMSGJSQBVOCMZ-LJQANCHMSA-N 359.809 3.463 50 1 FGGF Cc1c(F)ccc2c1[C@@](c1ccc3c(c1)NC(=O)CO3)([C@H](C)Cl)NCC2 962373763 JAWZXWLANRXJQM-YUNKPMOVSA-N 374.843 3.482 50 1 FGGF Oc1nc(NCc2ccccc2)c2nc(/C=C\CBr)nc-2[nH]1 586974553 XUZGQWHELOOFQM-DAXSKMNVSA-N 360.215 3.030 50 1 FGGF COC(=O)[C@H](Cl)[C@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587509918 YHWHEKJGHTXGAO-YOEHRIQHSA-N 358.768 3.315 50 1 FGGF C=C1C[C@]2(C(=O)OC)C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12 238749506 OZTYHGQEMFWVSF-XAKDGQKMSA-N 360.450 3.418 50 1 FGGF Cc1ccccc1NS(=O)(=O)c1cccc(NC(=O)NCCCl)c1 95552793 VRTXVDMGOUHHLC-UHFFFAOYSA-N 367.858 3.156 50 1 FGGF CC(C)N1N=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Cl)C1=O 587496266 AWFPOEIRALOBAT-HKUYNNGSSA-N 360.841 3.113 50 1 FGGF C/C(=N\NC(=O)c1ccc(-n2cccc2)cc1)C(=O)Nc1ccccc1F 1772578018 KXMSUPGFZZPIFI-OEAKJJBVSA-N 364.380 3.361 50 1 FGGF CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 169335769 WXMSZPYYPVWGRP-INIZCTEOSA-N 358.350 3.205 50 1 FGGF COC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)[C@H]1c1cccc(F)c1 95571160 KXHIHEXLDSBHCB-GOSISDBHSA-N 367.355 3.319 50 3 FGGF O=C(CCBr)c1c(CO)oc2cc(Br)cnc12 587274043 RQCONDZFMFEPLP-UHFFFAOYSA-N 363.005 3.050 50 1 FGGF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)c2ccccc2CC[C@H]1Cl 963473850 UBCLVRXVKNLDGS-ILZDJORESA-N 357.837 3.097 50 1 FGGF CN(C)Cc1ccc2nc(NC(=O)N/N=C/c3ccccc3O)sc2c1 299833845 ZZQWYEUPKBFIIA-VXLYETTFSA-N 369.450 3.219 50 1 FGGF C/C(N)=C(/C#N)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687754 HSUNCBHPBBNFJD-PJLNCKJKSA-N 372.669 3.313 50 1 FGGF O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(O)c1 3580622 DZJXLWWVTIZAIA-YBFXNURJSA-N 351.318 3.324 50 1 FGGF CN(C)CCSSCCNC(=O)Cc1cccc(C(F)(F)F)c1 618008007 PZBTYBITKZANJW-UHFFFAOYSA-N 366.474 3.307 50 1 FGGF COC1=C/C(=C/C(C#N)=C2/Nc3ccccc3S2)C=C([N+](=O)[O-])C1=O 15953248 RNSJZNOFCQFEHX-ANKJDYFYSA-N 353.359 3.139 50 3 FGGF O=C(N/N=C/c1ccccn1)c1nc2ccccc2nc1-c1ccccc1 40914815 UQDHGHPGWSGOKD-OEAKJJBVSA-N 353.385 3.456 50 1 FGGF CC(C=CC=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@]2(C)CC[C@@H](O)[C@@]1(C)CO 2356587409 JPMWBEHLCOISNJ-XSBCOFAFSA-N 360.494 3.223 50 1 FGGF O=C(CCCc1nc(O)c2ccccc2n1)N/N=C/c1ccc(Cl)cc1 299858672 SIPSWFOQXJKCRL-CIAFOILYSA-N 368.824 3.462 50 1 FGGF CN1C(=O)[C@H](/C=N/NC(=O)c2cc3ccccc3cc2O)c2ccccc21 169690148 CROKRDRVAOZYHS-ORWNMUSCSA-N 359.385 3.021 50 1 FGGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 103175366 OCEUVHLZANAROC-HIFRSBDPSA-N 360.200 3.187 50 1 FGGF C[C@@H]1C(=O)O[C@@H]2C[C@H]1CC[C@]1(C)O[C@H]1CC[C@@](C)(OO)/C=C/C[C@]2(C)O 59930433 FHEAMGLYVLIVOJ-GDCYVYDGSA-N 368.470 3.231 50 1 FGGF CCN(CC)c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)cc1 1020941 PWGQSWHPKPVSJP-KGENOOAVSA-N 353.422 3.068 50 3 FGGF C=C1C(=O)O[C@H]2C(=O)C(C)=CCCC(=C)[C@H](OO)CC[C@@]3(C)O[C@H]3C[C@@H]12 2356796053 MTKKKAYMCSNBBV-CZMKXJCESA-N 362.422 3.136 50 1 FGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](Br)C=O)N1 587671236 PUYFQAXLWCBKLH-KXHDPYLZSA-N 365.040 3.126 50 1 FGGF C=CCC1=CC=C/C(=C\NNC(=O)CNc2cccc3ccccc23)C1=O 13125937 HXWUJBZAEPLMEQ-NBVRZTHBSA-N 359.429 3.398 50 3 FGGF CN(C)CCSSCCCn1cc(-c2ccc(N(C)C)cc2)nn1 618009892 MMZDOKVXFIDCDP-UHFFFAOYSA-N 365.572 3.344 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C1CCOCC1)O2 587373545 MACGOMDVTUPTFP-INIZCTEOSA-N 354.244 3.103 50 1 FGGF Nc1ccccc1C(=O)N/N=C1/c2ccccc2-c2nc3ccccc3nc21 103227527 SYHPJSGSPXFBLO-QOMWVZHYSA-N 365.396 3.375 50 1 FGGF Cc1ccc2oc(=O)cc(CC(=O)N/N=C/c3ccccc3Cl)c2c1 40379216 VSRKJTNGKIVOON-SRZZPIQSSA-N 354.793 3.448 50 1 FGGF CCCCCC(=O)C(Br)=C[C@@H](Br)C(=O)OC 2356795218 IKYDAHKAPQZPQG-SECBINFHSA-N 356.054 3.351 50 1 FGGF Cc1ccccc1OS(=O)(=O)c1ccc(NC(=O)NCCCl)cc1 95555346 LZRRJGLGHKEGHF-UHFFFAOYSA-N 368.842 3.123 50 1 FGGF Cc1ccc(Cc2c(N)nn3c2N[C@@H](c2ccccc2)C(C#N)=C3N)cc1 75270341 DQAJHKFSEBLHNB-SFHVURJKSA-N 356.433 3.182 50 1 FGGF Cc1ccc(C2OOC(c3ccc(COS(C)(=O)=O)cc3)OO2)cc1 72173636 AUEAPDZMJGWGSV-UHFFFAOYSA-N 366.391 3.079 50 1 FGGF CN(C)CCSSCCCNC(=O)c1cc(-c2ccccc2)no1 618017178 HOKZCHMJRYGIFS-UHFFFAOYSA-N 365.524 3.405 50 1 FGGF C=C1C(=O)O[C@H]2/C=C(\C)C[C@@H]3C=C(C/C=C\[C@@](C)(OO)CC[C@H]12)C(=O)O3 169292603 WSXLFQQZQWNCIS-MSQQTBQGSA-N 360.406 3.261 50 1 FGGF Cn1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587542734 IJYPSMNWYLFLES-QFBILLFUSA-N 370.792 3.222 50 1 FGGF Cc1cn(CCC(=O)N/N=C/c2ccc3nccnc3c2)c2ccccc12 115597122 UUBWJWIDPSAZHE-ZMOGYAJESA-N 357.417 3.433 50 1 FGGF C=C1C(=O)O[C@@H]2C(=O)[C@H](C)CCC[C@](C)(OO)C=CC[C@]3(C)O[C@H]3C[C@H]12 2356494388 BTJROEGVRQVIDB-OKEBDRSWSA-N 364.438 3.216 50 1 FGGF O=C1c2c(O)cccc2C2(Oc3cccc4cccc(c34)O2)[C@@H](O)[C@H]1Cl 2356721977 VERJQRRBSKVZER-HKUYNNGSSA-N 368.772 3.334 50 1 FGGF COC(C)(C)[C@H](Br)c1nc2ccc(OCCN(C)C)cc2[nH]1 586970720 FBLMLNZXEBTXNP-CQSZACIVSA-N 370.291 3.364 50 1 FGGF COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1O 5130070 YXMNQUJCIVAIHO-AWEZNQCLSA-N 366.402 3.071 50 1 FGGF CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCCCl)c1 5525060 IQTXPYFSEXVAAK-UHFFFAOYSA-N 367.298 3.328 50 3 FGGF COc1cccc2c1c(CC(=O)NN)c(C)n2Cc1cccc(Cl)c1 13445945 HOULTGNGZZVKHP-UHFFFAOYSA-N 357.841 3.192 50 1 FGGF O=c1cc(CCl)oc(CN2CCN(c3ccccc3Cl)CC2)c1O 103214842 JDRYRRKQAICRJQ-UHFFFAOYSA-N 369.248 3.060 50 1 FGGF CCOCCOC(=O)/C(C#N)=C(\NCc1ccc2ncccc2c1)SC 103201798 DLFOWXALKWEPJL-FBMGVBCBSA-N 371.462 3.002 50 1 FGGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C=C(C)[C@]1(OO)CC=C(C)[C@@H]21 2356762071 XMEYPBMHVCPWNQ-YNIGFRRXSA-N 360.406 3.117 50 1 FGGF CC(C)NC(=O)c1ccc(Cl)cc1C(=O)N/N=C/c1ccc(F)cc1 103204176 GZQNGWKFIKGEJL-UFFVCSGVSA-N 361.804 3.381 50 1 FGGF CCn1cc(C(=O)N/N=C/c2ccccc2Cl)c(=O)c2ccc(C)nc21 103210610 ADNACZXWNUISIU-UFFVCSGVSA-N 368.824 3.142 50 1 FGGF N[C@H](CCl)c1nc2cc(Br)c(Br)cc2[nH]1 587009507 IXEMWHJUDBTUMZ-ZCFIWIBFSA-N 353.445 3.327 50 1 FGGF C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2C[C@@H](OC(=O)[C@H]2C)[C@@](C)(O)CC[C@H]1OO 59930423 LTTQHIVHWORRDE-RIACROSXSA-N 368.470 3.231 50 1 FGGF COc1c2c(c(OC)c3occc13)OC1(CCCCC1)C/C2=N\NC(N)=O 64447059 ZPDADIXHUQZPLL-CIAFOILYSA-N 373.409 3.308 50 1 FGGF COc1ccccc1CCC(=O)NCCCSSCCN(C)C 618009325 BEKCSLWJVZRKDA-UHFFFAOYSA-N 356.557 3.077 50 1 FGGF O=C1C[C@]2(CCOC[C@@H]2Br)Oc2c1ccc1c2CCCC1 587500509 XIYBACYPABNRFS-RDJZCZTQSA-N 351.240 3.453 50 1 FGGF CO[C@]1(/C=C(\C)C[C@@H]2C=C(CCC(C=O)=C(C)C)C(=O)O2)C=C(C)C(=O)O1 13384197 OVTFNRUPJPIJDK-AJPDROLMSA-N 374.433 3.336 50 1 FGGF C/C(=N\NC(=O)Nc1nc2ccc(CN(C)C)cc2s1)c1ccccn1 1857606757 DEVOGEVUUWDZCS-WSDLNYQXSA-N 368.466 3.299 50 1 FGGF COC(=O)[C@]1([C@@H](Cl)c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587372847 NDCSQALIFHWZEB-PKOBYXMFSA-N 359.809 3.434 50 1 FGGF O=S(=O)(c1ccc2nc(/C=C/CBr)[nH]c2c1)C(F)(F)F 586974797 ZYEVUEJECCJFJT-OWOJBTEDSA-N 369.162 3.265 50 1 FGGF COc1ccc(Cl)cc1C#Cc1ccc(-c2cc(C(=O)NN)no2)cc1 587906900 YMOQAAGCUDCEPA-UHFFFAOYSA-N 367.792 3.007 50 1 FGGF O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)c1F 1857572893 DUTMMJVUYVOSEW-UHFFFAOYSA-N 370.405 3.116 50 1 FGGF COc1cc(OC)c(/C=N/NC(=O)Nc2c(C)cccc2C)c(OC)c1 169335067 YKMBOKBAZOBRNF-RGVLZGJSSA-N 357.410 3.485 50 1 FGGF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@H]2[C@@]1(C)O 2356455960 NPRJCRQECPZJIM-XNFNUYLZSA-N 366.454 3.199 50 1 FGGF N#C/C(=C\c1ccc(OCC(N)=O)cc1)c1nc2c(Cl)cccc2[nH]1 72175560 ANSKQCZGMAQNOE-XYOKQWHBSA-N 352.781 3.145 50 1 FGGF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)C/C=C/[C@@](C)(OO)CCC2=O 138030291 WPTRRIXCZXIQKN-BEHRTGFESA-N 364.438 3.360 50 1 FGGF C=C1C(=O)O[C@H]2/C=C(/C)C[C@@H]3C=C(C/C=C/[C@@](C)(OO)CC[C@H]12)C(=O)O3 169292605 WSXLFQQZQWNCIS-ZMXDMASGSA-N 360.406 3.261 50 1 FGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(CCl)=CC2=O)N1 587682198 BXKILXGRNCHISF-ANRSDYALSA-N 374.637 3.040 50 1 FGGF C=C1C[C@@]2(C(=O)OC)C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12 2356634944 OZTYHGQEMFWVSF-RCVQQELHSA-N 360.450 3.418 50 1 FGGF CC(C)C(=O)Nc1ccc([C@]2([C@H](C)Cl)c3nn(C)cc3CCN2C)cc1 963953700 CMCBWXXQHKMINS-VBKZILBWSA-N 374.916 3.373 50 1 FGGF CC(=CC[C@@H](O)[C@](C)(Br)CCl)C(=O)CBr 2356765687 JFBIONWRLPBEBH-NXEZZACHSA-N 362.489 3.040 50 1 FGGF COC(=O)CCCCCCC(=O)N/N=C/CCCC1OCC(C)(C)CO1 95808699 XCCWDQMCNYJXRH-DEDYPNTBSA-N 370.490 3.171 50 1 FGGF Cc1ccc(C(=O)N/N=C2\SCC(=O)N2c2cc(C)ccc2C)cc1 5006809 YZIKIJAUSMVAGC-VZCXRCSSSA-N 353.447 3.393 50 3 FGGF CC=C(C=O)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC 2356590446 NTVLUSJWJRSPSM-APWZRJJASA-N 350.418 3.289 50 1 FGGF Cc1nc2ccccc2n1CCC(=O)NNCc1c(O)ccc2ccccc12 96929703 WYPVAHGUPSZHSG-UHFFFAOYSA-N 374.444 3.415 50 1 FGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(O)cc2[nH]1 587009434 FQJIUWPNDWLCLZ-KRWDZBQOSA-N 368.824 3.389 50 1 FGGF C=C1C(=O)O[C@H]2[C@H]3O[C@H](C[C@H]12)[C@@](C)(O)CC=C[C@@](C)(OO)CCC[C@H]3C 2356590675 XZSXVXVLKQOFSZ-KHCIDCGJSA-N 366.454 3.007 50 1 FGGF C/C(=N\NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 1857640855 YRWRLRPGYIBLDE-IUYLSVMLSA-N 361.367 3.090 50 1 FGGF O=C1C(O)=C([C@@H](NCCCCl)c2ccccn2)C(=O)c2ccccc21 653864020 FODQLJCKSIUXBW-INIZCTEOSA-N 356.809 3.233 50 1 FGGF C=C1C(=O)O[C@@H]2C(=O)C(C)=CCC[C@](C)(OO)C=CC[C@]3(C)O[C@H]3C[C@H]12 2356800381 PZVJKRYLBVBGHB-BZEDWVGSSA-N 362.422 3.136 50 1 FGGF C=C(C=O)[C@H]1Oc2ccc([C@@H](C)OC(=O)/C(C)=C\C)cc2[C@H]1OC(C)=O 238768487 XXCQISRHXYIMSQ-LIYRCYBKSA-N 358.390 3.377 50 1 FGGF COC(C)(C)[C@H](Br)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586971606 UGKFVOFAFOFQCH-SNVBAGLBSA-N 373.163 3.240 50 1 FGGF CC(C)(NC(=O)CCl)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587009644 OEGOGCRRHYVKIT-UHFFFAOYSA-N 355.825 3.384 50 1 FGGF CN(/N=N/c1ccc(C(N)=O)cc1)C(=O)CCCCc1ccc(O)cc1 1772657813 JGFXVVSAUDMUSC-QURGRASLSA-N 354.410 3.361 50 1 FGGF CC(C)CN(NC(=O)OC(C)(C)C)c1nc(C#N)ncc1C(F)(F)F 58581794 VUNMYBFQYQWZOC-UHFFFAOYSA-N 359.352 3.269 50 1 FGGF C[C@H]1O[C@]23C[C@H](c4ccc(Br)cc4)OC(=O)C2=C[C@@]1(C)OO3 96934007 ZSQJJSGOMNLPIP-BBDZHYCFSA-N 367.195 3.199 50 1 FGGF COc1ccc2c(c1)[C@@]1(CCOC[C@H]1Br)N(C(C)C)CC2 962091096 LGMJPJZNULXMMG-IAGOWNOFSA-N 354.288 3.341 50 1 FGGF O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1ccccc1[N+](=O)[O-] 33858427 SGLOCNQLYFWWTN-YBFXNURJSA-N 368.374 3.498 50 1 FGGF N#C/C=C/S(=O)(=O)c1ccc(C2(C(=O)NC3CCCCC3)CCC2)cc1 147509476 WBGXALIVAVTMTJ-PJQLUOCWSA-N 372.490 3.368 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](O)(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 72283849 QPGCYSREBONXHE-ISOSDAIHSA-N 352.349 3.119 50 1 FGGF O=P(CCCCN=C=S)(OC[C@@H]1CCCO1)OC[C@@H]1CCCO1 1857743884 YMNKGNXMBQVUHE-GJZGRUSLSA-N 363.416 3.454 50 1 FGGF C/C(=N\NC(=O)Nc1nnc(S)s1)c1ccc(Br)cc1 28863660 VPIGZYKZWYUIHM-MKMNVTDBSA-N 372.273 3.135 50 1 FGGF Oc1ccc2c3c1O[C@H]1[C@H](N=C=S)CC[C@@H]4[C@H](C2)N(CC2CC2)CC[C@]341 25993615 UZLGTUXGAQFLIF-SVZQKNBGSA-N 368.502 3.313 50 1 FGGF C[C@H](Cl)C(=O)NCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986964 WHJDPDGHWUFJDI-JTQLQIEISA-N 366.804 3.395 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(N(C)C=O)cc1)O2 587373072 PMHGDJAWGBGJBZ-LJQANCHMSA-N 358.825 3.269 50 1 FGGF Cn1/c(=N/NC(=O)c2ccccc2)sc2cc(OC(F)(F)F)ccc21 53184706 XINRDUUAYVAABO-QNGOZBTKSA-N 367.352 3.384 50 1 FGGF COc1cc2c3c(c1)O[C@](/C(C#N)=C/N(C)C)(c1cccs1)[C@@H](C2)C3=O 587453506 WVIMICURXFUNMJ-WNFUFJHASA-N 366.442 3.369 50 1 FGGF COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1O 5130071 YXMNQUJCIVAIHO-CQSZACIVSA-N 366.402 3.071 50 1 FGGF CCOC(=O)[C@@H](Cl)[C@]1(CC(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417705 OUZYCVIQQVRIRS-OMWUSAIZSA-N 366.841 3.398 50 1 FGGF C=C1C(=O)O[C@H]2[C@H]3O[C@H](C[C@H]12)[C@@](C)(O)CC=C[C@](C)(OO)CCC[C@H]3C 2356590673 XZSXVXVLKQOFSZ-JMKUXKBGSA-N 366.454 3.007 50 1 FGGF C=C1C(=O)O[C@H]2C=C(C)C[C@@H]3C=C(CC=C[C@@](C)(OO)CC[C@H]12)C(=O)O3 299809058 WSXLFQQZQWNCIS-PDOICOKGSA-N 360.406 3.261 50 1 FGGF C#CC#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 71329935 VZXOLBJEMJWHBK-TZYHBYERSA-N 354.409 3.044 50 1 FGGF C=C(C=O)[C@@H]1Oc2ccc([C@H](C)OC(=O)C(C)=CC)cc2[C@@H]1OC(C)=O 2356641016 XXCQISRHXYIMSQ-AGRHKRQWSA-N 358.390 3.377 50 1 FGGF Cc1ccc(/C=C(\C#N)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 587187921 NCUVCYRAPPOKJF-RVDMUPIBSA-N 366.446 3.186 50 1 FGGF CC(=O)[C@](O)(C[C@@H]1OC1(C)C)[C@@H]1CC[C@](C)(Cl)[C@@H](Br)C1 2356587236 CYLYPTSAEXHPFD-FUQNVFFISA-N 367.711 3.435 50 1 FGGF COC(=O)[C@H](Cl)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587688746 NTJOZHHMYUBTTP-UEXBWHTRSA-N 364.642 3.118 50 1 FGGF CSc1nc2cc(C(=O)NNC(=O)OC(C)(C)C)c(Cl)cc2n1C 1857641154 PINIRMJVDPFDAW-UHFFFAOYSA-N 370.862 3.118 50 1 FGGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccccc1O 95808345 QZANLCYRWYTMGY-KGENOOAVSA-N 369.421 3.137 50 1 FGGF CCCNNC(=O)c1cccc(CNCCc2c(C)[nH]c3ccccc23)c1 1857544347 QSUBJXJSCCQULC-UHFFFAOYSA-N 364.493 3.453 50 1 FGGF COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1 38824647 ZTZGBNXRPRXABB-IBGZPJMESA-N 361.401 3.414 50 1 FGGF O=C(NNc1ncnc2sc3ccccc3c12)c1cc(O)ccc1O 1772625988 LHYHWFYMGMKTJF-UHFFFAOYSA-N 352.375 3.013 50 1 FGGF COC(=O)Cc1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12 587620210 AQJDNHNOPJIHHZ-UHFFFAOYSA-N 356.607 3.261 50 1 FGGF COc1ccc2c(c1)[C@H](CCNC(=O)CI)CCC2 13781846 OGIIGSPMPUUHLQ-LBPRGKRZSA-N 373.234 3.056 50 1 FGGF CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccc(F)nc2)c(C(=O)OC)c1 101459833 AFAXDEUHEXMYCV-NXVVXOECSA-N 369.352 3.358 50 1 FGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CCl)on1 587890364 CLQNGRSIZCIOQM-UHFFFAOYSA-N 357.624 3.431 50 1 FGGF O=C(Nc1ccc([C@@]2(CCl)NCCc3ccc(O)cc32)cc1)C1CC1 963327849 ALXGTVBRFIPTCK-HXUWFJFHSA-N 356.853 3.369 50 1 FGGF COc1ccc2c(c1)[C@]1(CCOC[C@@H]1Br)N(C(C)C)CC2 962091097 LGMJPJZNULXMMG-IRXDYDNUSA-N 354.288 3.341 50 1 FGGF O=C(CCCCCC(=O)N/N=C/c1ccc(-c2cccs2)cc1)NO 209735863 MSBSKEZZBZJPHP-CPNJWEJPSA-N 359.451 3.321 50 1 FGGF C=C1C(=O)O[C@H]2/C=C(\C)C[C@@H]3C=C(C/C=C/[C@@](C)(OO)CC[C@H]12)C(=O)O3 42835773 WSXLFQQZQWNCIS-OPOAMCISSA-N 360.406 3.261 50 1 FGGF COc1cccc(-c2cc(O)cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2)c1 587932567 GKJIZILLFDXNHP-UHFFFAOYSA-N 374.400 3.215 50 1 FGGF Nc1ccc(-c2ccc3nc(-c4ccc5c(c4)C(=O)OC5=O)[nH]c3c2)cc1N 586906378 LVUKYWHMPKCGRK-UHFFFAOYSA-N 370.368 3.372 50 1 FGGF CCCCNS(=O)(=O)c1ccc2nc([C@H](C)Br)[nH]c2c1 587007609 AZLUSLPPNKUZSF-VIFPVBQESA-N 360.277 3.097 50 1 FGGF N#CC1=C(N)OC2=C(CNc3c2cccc3[N+](=O)[O-])[C@H]1c1ccc(F)cc1 1772575049 LBVBDTGLANFIBS-INIZCTEOSA-N 364.336 3.378 50 1 FGGF CO[C@H]1O[C@@]2(C)OO[C@]13[C@H](CCO)CCC[C@@H]3C[C@@H]2Cc1ccccc1 100999554 YXVVYCCWOXJNMG-STHVQZNPSA-N 362.466 3.454 50 1 FGGF C=C1C(=O)O[C@H]2C(=O)C(C)=CCCC(=C)[C@H](OO)CC[C@]3(C)O[C@H]3C[C@@H]12 2356796052 MTKKKAYMCSNBBV-BHZSWEIISA-N 362.422 3.136 50 1 FGGF C[C@H](/C(O)=C(\C#N)c1nc2ccccc2n1C)N1C(=O)c2ccccc2C1=O 101618236 UPPAPVMGAXXBDQ-LOPKLFAVSA-N 372.384 3.051 50 1 FGGF O=C(CCl)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCl)ccc1-2 96938158 XINZYRHUTZLIOI-UHFFFAOYSA-N 363.200 3.253 50 1 FGGF COC(C)(C)[C@@H](Br)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586971605 UGKFVOFAFOFQCH-JTQLQIEISA-N 373.163 3.240 50 1 FGGF N[C@H](CCl)c1nc2c(Br)ccc(Br)c2[nH]1 587009478 HLZDYQIXZNUGIA-ZCFIWIBFSA-N 353.445 3.327 50 1 FGGF COC(=O)CSC1=C(C#N)C(=C2C=CC(=O)C=C2)C2=C(CCCC2)N1 13125594 LJMXDETVHFFXGJ-UHFFFAOYSA-N 354.431 3.051 50 3 FGGF COc1ccc(C=C(C#N)C(=O)OC[C@@H]2CCCN3CCCC[C@@H]23)cc1 2356733334 PXKYUOIXDOETGP-PXNSSMCTSA-N 354.450 3.410 50 1 FGGF CCCNC(=O)/C(C#N)=C/c1c(C)n(CCCN(C)C)c2ccccc12 40430613 VHNYFUJRBIJRMR-SAPNQHFASA-N 352.482 3.335 50 1 FGGF O=C(CCCOc1ccc(Cl)cc1Cl)NN/C=C1\C=CC=CC1=O 13122825 WTAGMUYBHXJJSG-VAWYXSNFSA-N 367.232 3.352 50 3 FGGF COc1ccc(Br)c(C(=O)N/N=C\c2ccccc2OC)c1 103187510 ZLBCBKKQQFLQIG-ZDLGFXPLSA-N 363.211 3.230 50 1 FGGF C=C1C(=O)O[C@H]2C[C@H]1CC[C@]1(C)O[C@@H]1CC[C@@](C)(OO)C=CC[C@]2(C)O 2356794846 IDJKTYXFVCMLQD-ZBSOERELSA-N 366.454 3.151 50 1 FGGF COC(=O)[C@@]1([C@H](Cl)c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587372845 NDCSQALIFHWZEB-MJGOQNOKSA-N 359.809 3.434 50 1 FGGF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccnc(CCl)n1 587940079 FUVHLQOLKJSOBR-UHFFFAOYSA-N 361.854 3.385 50 1 FGGF CCCc1c(O)ccc2c1O[C@@](C(F)F)([C@@H](Cl)C(=O)OC)CC2=O 587464446 QMUUNMYRCBWTQH-XJKSGUPXSA-N 362.756 3.094 50 1 FGGF CC(=O)N1c2ccc([C@@]3(CCl)NCCc4ccc(O)cc43)cc2C[C@@H]1C 963343835 XCNDGONSUOTTIG-YEJXKQKISA-N 370.880 3.318 50 1 FGGF C[C@]1(O)OC[C@@H]([C@@](C)(Cl)C=CBr)C[C@@H]1Br 2356535363 XHCSYCLPVDIJNC-XKNYDFJKSA-N 362.489 3.401 50 1 FGGF Cc1cnc2[nH]c([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)nc2c1 587009488 HZSBRRMMTPXPHT-INIZCTEOSA-N 367.840 3.386 50 1 FGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnn(C)c2)N1 587684723 LVLGACJCWPNDDV-BJOHPYRUSA-N 372.669 3.338 50 1 FGGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C(=O)O)cs1)[C@@H](C2)C3=O 587450535 HIGHPMJELDNTPF-APPDUMDISA-N 364.806 3.337 50 1 FGGF COc1cc(C=C(C#N)C#N)cc(CS(=O)(=O)c2ccc(C)cc2)c1O 13833858 OHHGMKTWWGWUJB-UHFFFAOYSA-N 368.414 3.114 50 1 FGGF O=C1OC(=O)c2cc(-c3nc4ccc(Br)c(O)c4[nH]3)ccc21 586909099 VJJHFTYTJMWPMV-UHFFFAOYSA-N 359.135 3.009 50 1 FGGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C(=O)O)cs1)[C@@H](C2)C3=O 587450543 HIGHPMJELDNTPF-GTNSWQLSSA-N 364.806 3.337 50 1 FGGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C(=O)OCC)[C@H](Cl)C(C)=O 963229552 NSCUFJBZLRNOKD-XVSDVWIESA-N 351.874 3.298 50 1 FGGF CCCCCN1C(=O)/C(=N\NC(=O)OC(C)(C)C)c2ccc(OC)cc21 40975566 FAIVNJOKQSMIES-SILNSSARSA-N 361.442 3.461 50 1 FGGF O=C(Cc1ccc(F)cc1)N/N=C1\C(=O)Nc2ccc(Cl)c(Cl)c21 72180050 DWDZKQOXYJXSEB-UHFFFAOYSA-N 366.179 3.148 50 1 FGGF COC(=O)c1ccc(C)c(NC(=O)CCSSCCN(C)C)c1 618007553 FMDWRJPKFZLKFK-UHFFFAOYSA-N 356.513 3.053 50 1 FGGF C[C@@](Cl)(/C=C/Br)[C@H]1CO[C@@](C)(O)[C@@H](Br)C1 40860336 XHCSYCLPVDIJNC-YEBTWRFZSA-N 362.489 3.401 50 1 FGGF Cn1c(C=NNC(=O)c2cc(Br)ccc2O)cc2ccccc21 261102814 GTHPHSMHLRBFBS-UHFFFAOYSA-N 372.222 3.410 50 1 FGGF C=C1CC[C@@H]2C(=C)C(=O)O[C@H]2C=C(C)C[C@H]2C=C(CC[C@@H]1OO)C(=O)O2 2356447100 VTUGHLCKKNSTAF-MHORFTMASA-N 360.406 3.261 50 1 FGGF CN(C)CCSSCCNC(=O)c1cc2ccccc2cc1O 618008402 ZXIKBIDOTQVKLH-UHFFFAOYSA-N 350.509 3.218 50 1 FGGF Oc1ccc2c3c1O[C@H]1[C@H](N=C=S)CC[C@@H]4[C@H](C2)N(CC2CC2)CC[C@@]341 169365209 UZLGTUXGAQFLIF-JUTSDSCYSA-N 368.502 3.313 50 1 FGGF CCOc1cc(/C(=C\C#N)c2ccc(S(C)(=O)=O)cc2)ccc1OC 73141943 GVUSQUVPOHOCQF-BOPFTXTBSA-N 357.431 3.453 50 1 FGGF C/C=C(\C=O)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C[C@H]1C(=O)OC 238756782 IXZVIOVJBGVURY-NWERNARMSA-N 352.434 3.021 50 1 FGGF COC(=O)[C@]1([C@H](Cl)c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587372842 NDCSQALIFHWZEB-IEBWSBKVSA-N 359.809 3.434 50 1 FGGF NNC(=O)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587061225 RPRAROPDYITMPX-UHFFFAOYSA-N 353.769 3.142 50 1 FGGF COc1ccc([C@H](c2ccccc2)c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 587938764 ZVAAMVQBQUGWKV-FQEVSTJZSA-N 372.428 3.355 50 1 FGGF CC1(C)O[C@H]2C(=O)c3ccccc3C(=O)[C@@H]2[C@@H](N=[N+]=[N-])[C@@H]1Br 377836379 COAMQTJABBZFQJ-PJQZNRQZSA-N 364.199 3.302 50 1 FGGF Cc1[nH]nc2c1[C@H](c1ccc(O)c(OCc3ccccc3)c1)C(C#N)=C(N)O2 1857539151 VNXOXAKDDIJMCV-LJQANCHMSA-N 374.400 3.221 50 1 FGGF Cc1cn(CCC(=O)N/N=C/c2ccc3ncccc3n2)c2ccccc12 115598341 PJKOLHJVPXRYHE-YDZHTSKRSA-N 357.417 3.433 50 1 FGGF O=C(NNc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 27304285 GTYGNLJYZHPBFS-UHFFFAOYSA-N 358.741 3.056 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@H](C)NC(=O)OC(C)(C)C)O2 587373428 QNZCDVCTXLIZHE-VOJFVSQTSA-N 368.861 3.433 50 1 FGGF C=C(C=O)[C@H]1Oc2ccc([C@@H](C)OC(=O)/C(C)=C\C)cc2[C@@H]1OC(C)=O 238734960 XXCQISRHXYIMSQ-GAXXUDPXSA-N 358.390 3.377 50 1 FGGF C[C@H](O)CCC[C@H](O)C=C[C@@H]1[C@H](CCCCCCC(=O)O)[C@H]2C[C@H]1OO2 2356737127 WIWFIKCSWKFLRM-LOXVXLSQSA-N 370.486 3.215 50 1 FGGF CC1=C2CC[C@]3(C)O[C@@H]3CC[C@@](C)(OO)C=CC[C@@](C)(O)C=C2OC1=O 2356793211 KHRWKTRAKITSPF-LMCOJAPRSA-N 364.438 3.421 50 1 FGGF CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)NOCc2ccccc2)cc1 84615880 JPHCNIBNJIBKPB-MRXNPFEDSA-N 369.465 3.451 50 1 FGGF CCC(=O)Nc1cccc(NC(=O)NCCSSCCN(C)C)c1 618007683 KZYGUBKDWLOMAW-UHFFFAOYSA-N 370.544 3.100 50 1 FGGF Cc1nc2[nH]c(-c3ccc4c(c3)C(=O)OC4=O)nc2cc1Br 586907300 LGXLUEZBAYXLSO-UHFFFAOYSA-N 358.151 3.006 50 1 FGGF C=C1C(=O)O[C@H]2C[C@H]1CC[C@]1(C)O[C@@H]1CC[C@](C)(OO)C=CC[C@]2(C)O 2356794844 IDJKTYXFVCMLQD-URTLRTLISA-N 366.454 3.151 50 1 FGGF O=C(NO)c1cccc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)c1 95809717 BMENRNQNPBDPIV-HYARGMPZSA-N 359.385 3.237 50 1 FGGF CN(C)CCSSCCNC(=O)c1cc(Cl)c(N)c(Cl)c1 618008648 IYQKLFCUVXVZSZ-UHFFFAOYSA-N 368.355 3.248 50 1 FGGF Cc1nc(NNC(=O)c2ccccc2O)c2c3c(sc2n1)CCCC3 1772653452 OPHQNNPAIDCZNE-UHFFFAOYSA-N 354.435 3.341 50 1 FGGF CN(C)C(=O)[C@@H](Cl)[C@@]1(C)c2ccsc2CCN1Cc1ccco1 962702784 GPOOPSVEFRCVMA-NVXWUHKLSA-N 352.887 3.310 50 1 FGGF Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)C1CCCCC1 653782494 NHYHIEDZOURRQR-UHFFFAOYSA-N 356.451 3.199 50 1 FGGF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(C(=O)NN)cc2[nH]1 587011943 OQDQREFZBZISEY-UHFFFAOYSA-N 363.446 3.189 50 1 FGGF COC(=O)[C@@]1([C@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 587498973 KRQBTUFXHAMZIL-BTDLBPIBSA-N 367.239 3.226 50 1 FGGF CCOC(=O)[C@H](Cl)[C@@]1(CC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587373210 QJNZUIJTALPIJL-FUHWJXTLSA-N 353.846 3.498 50 1 FGGF C=C1C(=O)O[C@@H]2[C@H]3O[C@H](C[C@H]12)[C@@](C)(O)C/C=C/[C@](C)(OO)CCC[C@@H]3C 238743622 XZSXVXVLKQOFSZ-VMSCBUKESA-N 366.454 3.007 50 1 FGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CCl)OCC2=O)N1 587686364 UOPUAVVTONEVOK-GLEZIHRCSA-N 374.637 3.040 50 1 FGGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@@]1(C)CC=C[C@@](C)(OO)CCC2=O 2356411016 WPTRRIXCZXIQKN-DTFGETORSA-N 364.438 3.360 50 1 FGGF Cc1cc(C)c(C/C(=N/OCC(=O)NN)c2cc3ccccc3o2)c(C)c1 40380773 HDDOJQWMHSEGDI-MOHJPFBDSA-N 365.433 3.311 50 1 FGGF CO[C@@]1(c2ncc(F)cc2Br)C=C(C#N)C(=O)C(C)(C)C1 1857616298 QIMAIJUNIXIXKO-HNNXBMFYSA-N 353.191 3.274 50 1 FGGF COCCCCn1c(=O)cc(Nc2ccc(C)c([C@@H](C)Cl)c2)[nH]c1=O 13522368 TVNDMYVTQXXFGL-CYBMUJFWSA-N 365.861 3.315 50 1 FGGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cncc(Br)c1 13586205 AODKWCUTXXRCOL-MRXNPFEDSA-N 371.238 3.128 50 1 FGGF CCC[C@@H]1C=C[C@H](CCC[C@]2(OC)C=C[C@H](CC(=O)OC)OO2)OO1 85967004 VZSAJLFIIGOYQK-KYHPRHEASA-N 356.415 3.004 50 1 FGGF biogenic C[C@@H](Br)C1=CC(=C(Br)Br)OC1=O 34033694 UMFVJPYFZQENDQ-GSVOUGTGSA-N 360.827 3.212 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C(=O)O)cs1)O2 587409691 JDNDPTYCIIXQHL-INIZCTEOSA-N 351.811 3.436 50 1 FGGF CN(C)CCSSCCCNC(=O)Cc1cn(C)c2ccccc12 618017757 YUQBMGWPXGRLBE-UHFFFAOYSA-N 365.568 3.170 50 1 FGGF CC(C)[C@]1([C@@H](C)Br)NCCc2ccc(C(=O)N(C)C)cc21 962931375 BJIACRMJCZHYKT-SJKOYZFVSA-N 353.304 3.169 50 1 FGGF Cc1nnsc1C(=O)N(NC(=O)c1cccc(Cl)c1)C(C)(C)C 103214509 DNRIRVZULUYCIN-UHFFFAOYSA-N 352.847 3.086 50 1 FGGF C=C(CCCC(C)=O)[C@H](C(=O)O)[C@@H](CC=O)C(C=O)=C1C=CC(C)(C)O1 2356441370 PBCDWCPMWSNXJT-YJBOKZPZSA-N 362.422 3.026 50 1 FGGF [C-]#[N+]C1=C(C(F)(F)F)N=C2COC(=O)[C@H]2[C@@H]1c1ccc2n[nH]c(C)c2c1 169703237 GRKLXTVXJQFNOE-QWHCGFSZSA-N 360.295 3.276 50 1 FGGF CC(C=O)=CCC[C@H](C)C1=CC[C@](C)(O)[C@@H]1CC1=C(O)CC[C@@H](O)C1=O 2356454931 BFJUMKLBIUGBTH-IBRSFNOQSA-N 362.466 3.171 50 1 FGGF CC(C=O)=CCC[C@H](C)C1=CC[C@](C)(O)[C@H]1CC1=C(O)CC[C@H](O)C1=O 2356454934 BFJUMKLBIUGBTH-VJARNRFFSA-N 362.466 3.171 50 1 FGGF C=C1C(=O)O[C@@H]2C(=O)[C@H](C)CCC[C@](C)(OO)C=CC[C@]3(C)O[C@@H]3C[C@H]12 2356494389 BTJROEGVRQVIDB-UTTMADGPSA-N 364.438 3.216 50 1 FGGF CCN1N=C[C@]2(NCCc3cc(-c4ccccc4)ccc32)[C@@H](Cl)C1=O 962670562 RUYBMRLYMRYYTB-AZUAARDMSA-N 353.853 3.150 50 1 FGGF Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@H]2c1ccc(C#N)cc1 1772579853 PXYGTFJTAMFKLK-QGZVFWFLSA-N 353.385 3.177 50 1 FGGF C1CN(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CCO1 169321448 QDWIQULASVHXIE-UHFFFAOYSA-N 365.470 3.020 50 1 FGGF O=C(COc1cccc(Br)c1)N/N=C\c1ccccc1F 38163462 ZLURGUGWDCNMQS-NVMNQCDNSA-N 351.175 3.117 50 1 FGGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cocn1 587542618 HVVAVKBDSZVIIY-YJBOKZPZSA-N 357.749 3.476 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1ccc(O)c(O)c1)O2 587407501 AGGJCAWPYPZCIT-SFHVURJKSA-N 356.403 3.063 50 1 FGGF CCCc1c(O)ccc2c1O[C@@](CBr)(C(=O)OCC)CC2=O 587455335 AKVCFAXVUCHVAL-INIZCTEOSA-N 371.227 3.007 50 1 FGGF CCCc1c(O)ccc2c1O[C@@](C(=O)OC)([C@H](C)Br)CC2=O 587450600 GMSGISFXPOLBEC-XXFAHNHDSA-N 371.227 3.005 50 1 FGGF O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1 1857596625 LUAAERUIRSDRHS-UHFFFAOYSA-N 358.444 3.038 50 1 FGGF Oc1ccc2c3c1O[C@H]1[C@H](N=C=S)CC[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@]341 101154690 UZLGTUXGAQFLIF-IULBNUBQSA-N 368.502 3.313 50 1 FGGF O=C(Oc1cccnc1[N+](=O)[O-])c1cc2cc(CCl)ccc2oc1=O 27422613 CILDLHCSDSVGAV-UHFFFAOYSA-N 360.709 3.054 50 1 FGGF CCCCC(Br)(Br)[C@H](O)CBr 14769560 GNBHDYSYXZBDPQ-ZCFIWIBFSA-N 352.892 3.419 50 1 FGGF biogenic CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@]2(C)C[S@](=O)c1ccccc1 299810615 OEFDWGOFZFVNPW-WHLDNRLDSA-N 352.452 3.005 50 1 FGGF COc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl 26152074 DYRDLGSOGTZXBW-KRWDZBQOSA-N 359.853 3.163 50 1 FGGF COc1cc2c3c(c1)O[C@](CCl)(c1nc4ccccc4[nH]1)[C@@H](C2)C3=O 587423861 WPUCWRXHFWNCIF-BUXKBTBVSA-N 354.793 3.453 50 1 FGGF CCCCNS(=O)(=O)c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1 587007983 KESHEAZSYJEJSQ-JTQLQIEISA-N 350.271 3.160 50 1 FGGF CO[C@@]12CCN(C)C[C@H]1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 299828744 HCVJMLRZQPVKRL-YSVLISHTSA-N 368.264 3.095 50 1 FGGF CC(=O)OC[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689558 UMTVHJAWZCAVSN-CLAHSXSESA-N 364.642 3.120 50 1 FGGF CN(C)C[C@H](Br)c1cccc(I)c1 169345631 YEPOCEWTIIVFMI-JTQLQIEISA-N 354.029 3.289 50 1 FGGF CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)/C1=N\NC(=O)c1ccccc1 103483974 HGZWWLLMRXTWEA-HIXSDJFHSA-N 372.428 3.423 50 3 FGGF CCNC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49757000 YPPXJLSEJLZVJR-UHFFFAOYSA-N 364.486 3.323 50 1 FGGF O=C(Nc1cc2c3c(cccc3c1)C(=O)OC2=O)c1cccc([N+](=O)[O-])c1 95584399 OSXSWCMCVSOMMY-UHFFFAOYSA-N 362.297 3.311 50 1 FGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cccnc2[nH]1 587009815 USWTUDQDFVGEBQ-HNNXBMFYSA-N 353.813 3.078 50 1 FGGF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@@H]2[C@]1(C)O 2356455957 NPRJCRQECPZJIM-FIYPYCPBSA-N 366.454 3.199 50 1 FGGF CCCCCC(=O)C(Br)=C[C@H](Br)C(=O)OC 2356795219 IKYDAHKAPQZPQG-VIFPVBQESA-N 356.054 3.351 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(CC(=O)O)s1)O2 587412541 ZRBXNTUXOPDTOH-QGZVFWFLSA-N 365.838 3.365 50 1 FGGF CC(=O)OC[C@H](Br)[C@@]1(C)CC[C@H](C(C)(C)Br)O1 5664088 MFOZEGIDWYEJRE-HOSYDEDBSA-N 372.097 3.424 50 1 FGGF CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(Cl)cc1)SC 103222754 FICDJBNUICCGFJ-CCEZHUSRSA-N 354.859 3.107 50 1 FGGF CCCN1[C@H](C)Cc2ccccc2[C@]1(C(=O)OCC)[C@H](Cl)C(C)=O 963229546 NSCUFJBZLRNOKD-OMWUSAIZSA-N 351.874 3.298 50 1 FGGF C=C1[C@H](O)C[C@@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1CC[C@@H]1CC(=O)NC1=O 2356859099 SRDHHMUVZQNDOM-IZYLAAAZSA-N 367.917 3.416 50 1 FGGF C=C(C=O)[C@@H]1Oc2ccc([C@@H](C)OC(=O)/C(C)=C\C)cc2[C@@H]1OC(C)=O 238762742 XXCQISRHXYIMSQ-JPQWFZBJSA-N 358.390 3.377 50 1 FGGF CCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc4ccccc4c3)[C@@H]2C1 299836613 NRVRVDNNXMIFAK-TUNNFDKTSA-N 363.461 3.332 50 1 FGGF O=[N+]([O-])c1ccc2c(c1)N[P@](=O)(N(CCCl)CCCl)OC2 27526499 VSIHRFPBBCZTCY-OAQYLSRUSA-N 354.130 3.425 50 1 FGGF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)C=C(C)[C@]1(OO)CC=C(C)[C@H]21 238777496 XMEYPBMHVCPWNQ-UXVIRGOLSA-N 360.406 3.117 50 1 FGGF CC(/C=C/C=O)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O 38699384 YHMYMBINWXFRSP-KEXGPUDKSA-N 374.477 3.315 50 1 FGGF CCOC(=O)C[C@]1([C@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 587374171 OITXDHVJTKQDQL-QFYYESIMSA-N 370.243 3.018 50 1 FGGF CCOC(=O)c1c([C@@H](C)Br)[nH]c2ccc(S(C)(=O)=O)cc12 587648844 MKRRWERQUFCUHB-MRVPVSSYSA-N 374.256 3.204 50 1 FGGF COc1ccc2cc([C@@H](C)c3nc4ccc(C(=O)NN)cc4[nH]3)ccc2c1 587936114 ZCWJYXHZEFCSFL-GFCCVEGCSA-N 360.417 3.480 50 1 FGGF N#CC(=C\c1ccc(Br)cc1)/C=C1\SC(=S)NC1=O 103229604 OXGNBCYIJCGBTB-WFMPKDELSA-N 351.250 3.388 50 1 FGGF C[C@H](c1ccc(CBr)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 586973137 FWTLNEVCAWNBJS-SECBINFHSA-N 367.210 3.143 50 1 FGGF COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1cccc(Cl)c1 1484229 JNDMWQNRNKLUDE-UHFFFAOYSA-N 357.841 3.192 50 1 FGGF O=C(N/N=C/c1ccncc1)c1cc(-c2ccc(F)cc2F)ccc1O 221353352 VARNMSRHKQLBMA-FOKLQQMPSA-N 353.328 3.496 50 1 FGGF N#CC1=C(N)n2nc(N)c(Cc3cccs3)c2N[C@@H]1c1ccc(F)cc1 957654767 LFMOSXYUOPQTHK-OAHLLOKOSA-N 366.425 3.074 50 1 FGGF COc1cc(C(=O)C(C#N)=C2Nc3ccccc3N2)cc(OC)c1OC 13124181 GQFHPFQUKNVWPK-UHFFFAOYSA-N 351.362 3.168 50 3 FGGF N#CC(=Cc1ccc(OCC(N)=O)cc1)c1nc2cccc(Cl)c2[nH]1 1857588336 ANSKQCZGMAQNOE-UHFFFAOYSA-N 352.781 3.145 50 1 FGGF C[C@@H](CC(=O)O)O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1911575760 XLVHMGYCRCYDJQ-MLPNMOJHSA-N 370.442 3.074 50 1 FGGF N=C(N)Nc1cccc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)c1 40556703 SMCWHXXIZJLEPX-UHFFFAOYSA-N 371.780 3.056 50 1 FGGF C=CCC1=CC=C/C(=C\NNC(=O)CCCNc2ccc(C)cc2)C1=O 13122494 OBUXHBCOLIAMTL-OBGWFSINSA-N 351.450 3.333 50 3 FGGF COc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)ccc1O 1659589 XECARCWAOALYRL-RQZCQDPDSA-N 364.199 3.319 50 1 FGGF COc1ccc2c(c1)[C@@H](CCNC(=O)CI)CCC2 13781847 OGIIGSPMPUUHLQ-GFCCVEGCSA-N 373.234 3.056 50 1 FGGF CCCN1[C@H](C)Cc2ccccc2[C@]1(C(=O)OCC)[C@@H](Cl)C(C)=O 963229550 NSCUFJBZLRNOKD-XVGQJIODSA-N 351.874 3.298 50 1 FGGF COc1cc(N(CCCl)CCCl)ccc1B1OC(C)(C)C(C)(C)O1 1857566571 NHQGBHBEVOTLKN-UHFFFAOYSA-N 374.117 3.278 50 1 FGGF Oc1ccc(CCn2nnnc2CCCC[C@@H]2CCSS2)cc1O 28823707 BLIQFCIYUIJNFZ-CYBMUJFWSA-N 366.512 3.194 50 1 FGGF CCCC[C@H](Br)[C@H](O)C(Br)Br 86000714 PIQWATDDRYMLFY-WDSKDSINSA-N 352.892 3.417 50 1 FGGF biogenic CCCC(Br)(CCC)c1nc2ccc(C(=O)NN)cc2[nH]1 586970318 CYPQZUDAJISYAB-UHFFFAOYSA-N 353.264 3.357 50 1 FGGF C=C1C(=O)O[C@H]2C[C@H]1CC[C@]1(C)O[C@@H]1CCC(=C)[C@H](OO)CC[C@@]2(C)O 2356801164 RKOIXCYVHDILNO-OXAWTZHMSA-N 366.454 3.151 50 1 FGGF CCOc1c(/C=N\NC(=O)c2ccncc2)cccc1CN1CCCCC1 103223919 WUGBNEPUHSCMEZ-HAHDFKILSA-N 366.465 3.230 50 1 FGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4nc(O)[nH]c4c1)[C@@H](C2)C3=O 587424135 XLSOJNPDZIJMBZ-HXPMCKFVSA-N 370.792 3.159 50 1 FGGF CN(C)CCCNc1nccc(/C(C#N)=C2\Nc3ccccc3S2)n1 13647721 SDENCFUNTKPESS-GHRIWEEISA-N 352.467 3.250 50 1 FGGF NC(=O)N/N=C/c1ccc(Oc2ccc(F)cc2Br)cc1 27314059 NDIGMDVZEBQULC-QGMBQPNBSA-N 352.163 3.383 50 1 FGGF CCCCC(=O)N/N=C(\C)CC(=O)Nc1ccccc1Br 4373013 LEXGMXVUKPDDCI-WOJGMQOQSA-N 354.248 3.460 50 3 FGGF C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)N(Cc3ccccn3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43919910 VUFWDQIDRMHCAU-LXLRMCGNSA-N 372.465 3.276 50 1 FGGF Cc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cn1 1254100 SJXOQHTVKIJKIK-SRZZPIQSSA-N 353.813 3.301 50 1 FGGF Cc1ccc(S(=O)(=O)N(N)C(=O)c2ccc(Cl)cc2Cl)s1 28355990 HJOMBVXYJPBZOB-UHFFFAOYSA-N 365.263 3.068 50 1 FGGF C=C1C(=O)O[C@H]2C(=O)[C@@H](C)CCC[C@@](C)(OO)/C=C/C[C@]3(C)O[C@H]3C[C@H]12 238738254 BTJROEGVRQVIDB-IKHZIYNWSA-N 364.438 3.216 50 1 FGGF CC(=O)O[C@@H]1C(=O)C2=CC3=C(C=O)[C@@H](O)CC[C@@]3(C)CC[C@]2(C)[C@H]1C(C)C 238756403 KCPNSIPCHJTGHJ-FQFSJJOFSA-N 374.477 3.156 50 1 FGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CCl)(c2cc(F)ccc2F)N1 962899920 OVNHSHFAOQSDHS-WMLDXEAASA-N 355.743 3.185 50 1 FGGF C=C(C)[C@H]([C@H]1C=C(CCC(C=O)=C(C)C)C(=O)O1)[C@]1(OC)C=C(C)C(=O)O1 14921341 IYTPQKWQKYLEMT-OPYAIIAOSA-N 374.433 3.192 50 1 FGGF biogenic CC(C)(C)OC(=O)/C=C\[C@@H]1CC[C@@H](CC(=O)OCc2ccccc2)OO1 72175714 YLNBQVQGOBZODX-YWKUEEPXSA-N 362.422 3.497 50 1 FGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CCl)(c2cc(F)ccc2F)N1 962899923 OVNHSHFAOQSDHS-YOEHRIQHSA-N 355.743 3.185 50 1 FGGF C[C@](Cl)(C=CBr)[C@@H]1CO[C@@](C)(O)[C@H](Br)C1 2356535362 XHCSYCLPVDIJNC-QCLAVDOMSA-N 362.489 3.401 50 1 FGGF CC(C)(C(=O)NC1CCCCC1)c1ccc(S(=O)(=O)/C=C/C#N)cc1 73296225 XAURGTCLVZWTQN-MKMNVTDBSA-N 360.479 3.224 50 1 FGGF COc1cc2c3c(c1)O[C@](/C(C#N)=C\N(C)C)(c1cccs1)[C@@H](C2)C3=O 587453502 WVIMICURXFUNMJ-SQLRUTJASA-N 366.442 3.369 50 1 FGGF [C-]#[N+]C1=C(C(F)(F)F)N=C2COC(=O)[C@@H]2[C@@H]1c1ccc2n[nH]c(C)c2c1 169703236 GRKLXTVXJQFNOE-STQMWFEESA-N 360.295 3.276 50 1 FGGF NC(=O)c1sc2nc(CCl)[nH]c(=O)c2c1-c1ccc(Cl)cc1 72117993 AEAFYBSJTISZDY-UHFFFAOYSA-N 354.218 3.143 50 1 FGGF CCNc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(OC)cc(OC)c1 34043593 KYVYVJHTEDBPJF-IBGZPJMESA-N 351.406 3.354 50 1 FGGF Cc1c(CC(=O)NN)c2cc(Br)ccc2n1Cc1ccccc1 13445912 MZUYSXSMZDAZKG-UHFFFAOYSA-N 372.266 3.293 50 1 FGGF COc1ccc([C@@](O)(C(=O)NNc2ccc(C)cc2)c2cccs2)cc1 969116 VFOQDVWSFFOOPM-FQEVSTJZSA-N 368.458 3.444 50 3 FGGF CC1=C2CC[C@]3(C)O[C@@H]3CC[C@@](C)(OO)C=CC[C@](C)(O)C=C2OC1=O 2356793210 KHRWKTRAKITSPF-GTAWCEEGSA-N 364.438 3.421 50 1 FGGF CCc1ccc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc1Br 586977707 QQNGNYWEFAYWNC-UHFFFAOYSA-N 359.227 3.158 50 1 FGGF C[C@@H](Br)C1=C(Br)/C(=C/Br)OC1=O 38842685 PJBLEHRNJNWSMS-WNZAFCFYSA-N 360.827 3.212 50 1 FGGF CC(C)(C)c1[nH]c2c(C(=O)O)cccc2c1NC(=O)CBr 587636914 PJVBTMLXCFDAQE-UHFFFAOYSA-N 353.216 3.497 50 1 FGGF C[C@H](c1ccccc1)N1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1 84671383 CEQKYQRKQFTTBN-VFNWGFHPSA-N 371.440 3.394 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)OCCO3)O2 587371459 FQSWHQHKAWCJNI-IBGZPJMESA-N 359.809 3.448 50 1 FGGF COc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1 26152599 LKABSTSSAOAMPA-SFHVURJKSA-N 359.853 3.163 50 1 FGGF COc1cc2c3c(c1)O[C@](CCl)(c1c[nH]c4ncccc14)[C@@H](C2)C3=O 587423616 UXVKFYJAMZEUPK-DJJJIMSYSA-N 354.793 3.453 50 1 FGGF COC(=O)[C@H](Cl)[C@@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587509917 YHWHEKJGHTXGAO-WMLDXEAASA-N 358.768 3.315 50 1 FGGF C[C@H](c1ccccc1)N1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1 84655370 CEQKYQRKQFTTBN-QVKFZJNVSA-N 371.440 3.394 50 1 FGGF N#CC1=C(N)OC2=C(CNc3c2cccc3[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 1772575052 LBVBDTGLANFIBS-MRXNPFEDSA-N 364.336 3.378 50 1 FGGF CC(C)[C@@]12C=C3CC[C@@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@]4(C)[C@]3(CC1)OO2 238761328 YSENMAHQIMGYEF-ULFLFZEMSA-N 350.455 3.464 50 1 FGGF CCSc1nnc(NC(=O)CCCSSCCN(C)C)s1 618007908 UPMBPYXRLORUKQ-UHFFFAOYSA-N 366.603 3.312 50 1 FGGF CCn1cc(C(=O)N/N=C/c2cccc(Cl)c2)c(=O)c2ccc(C)nc21 103222702 JIDCJBHJDCRVIY-UFFVCSGVSA-N 368.824 3.142 50 1 FGGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@@H](OC(C)=O)C=C[C@@H](CC)O1 2356605788 RLYHYXSICKPCGG-BCYZHJNNSA-N 368.857 3.160 50 1 FGGF CCCCNS(=O)(=O)c1ccc2nc([C@H](Cl)CCl)[nH]c2c1 587007986 KESHEAZSYJEJSQ-SNVBAGLBSA-N 350.271 3.160 50 1 FGGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@](O)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169331752 QPGCYSREBONXHE-FWZOCJLNSA-N 352.349 3.119 50 1 FGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CCCCl)(c2ccc(O)cc2)N1 962906332 XRMSTYIEEZHOPI-LPHOPBHVSA-N 363.816 3.393 50 1 FGGF N#CCc1ccc(/C(C#N)=C2/OC(=N)[C@@H](c3ccc(CC#N)cc3)C2=O)cc1 5810639 JONMXLHBUZOGNL-DVWMNMFYSA-N 366.380 3.414 50 1 FGGF CCOC(=O)/C=C\[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 103190917 RQGMVCMEWCAMJB-VDWULTAOSA-N 352.427 3.110 50 1 FGGF N#Cc1cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2cc1C(F)(F)F 586906953 HXMKVCZQQBCSTK-UHFFFAOYSA-N 357.247 3.431 50 1 FGGF Oc1nc(O)c2ccc([C@@H](Br)Cc3ccccc3F)nc2n1 587368948 XWRCVLYQGHNBFS-JTQLQIEISA-N 364.174 3.254 50 1 FGGF C[C@H](Br)C1=C(Br)/C(=C/Br)OC1=O 38842683 PJBLEHRNJNWSMS-MFLXPROGSA-N 360.827 3.212 50 1 FGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CCl)OCC2=O)N1 587683495 HJXIBQFHYTTYKC-GLEZIHRCSA-N 374.637 3.040 50 1 FGGF CCc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1F 1857553826 UOKLCYOQJHJQQX-UHFFFAOYSA-N 372.421 3.165 50 1 FGGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(/C=C\c2ccco2)on1 49070928 VDHKGHYZPPYYLM-GLZCOWIKSA-N 352.306 3.110 50 1 FGGF O=C(COc1ccccc1)NNC(=S)NCCCCC1CCCCC1 96285246 GALVBBNINNZEIW-UHFFFAOYSA-N 363.527 3.311 50 1 FGGF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Cl)CCl)[nH]c2c1 587008423 ORDUYJBCBHVIFR-SNVBAGLBSA-N 350.271 3.112 50 1 FGGF CN(C)C(=O)[C@H](Cl)[C@@]1(C)c2ccsc2CCN1Cc1ccco1 962702781 GPOOPSVEFRCVMA-DOTOQJQBSA-N 352.887 3.310 50 1 FGGF O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(CN2CCC[C@@H](O)C2)cc1 1857749982 CTMODUMJWIENCS-VVJWVBNBSA-N 371.868 3.061 50 1 FGGF Cc1nnsc1C(=O)NN(C(=O)c1cccc(Cl)c1)C(C)(C)C 103206561 UQKNZWXPYULZTH-UHFFFAOYSA-N 352.847 3.086 50 1 FGGF N#CC1=C(N)n2nc(N)c(Cc3cccs3)c2N[C@H]1c1ccc(F)cc1 957654766 LFMOSXYUOPQTHK-HNNXBMFYSA-N 366.425 3.074 50 1 FGGF CCCCN(c1ccc([Si](C)(C)O)cc1)S(=O)(=O)c1ccccc1 1857651834 WPWNXJKKEVXEAJ-UHFFFAOYSA-N 363.555 3.086 50 1 FGGF O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1ccc(O)cc1 103227544 FOOJLOMAFHFFEI-QQTULTPQSA-N 366.380 3.498 50 1 FGGF O=C(O)CC[C@@H]1CCCCC12OOC1(CCCC[C@@H]1CCC(=O)O)OO2 43706339 OMTLQIJYVIMTDL-MWABVPJASA-N 372.414 3.399 50 1 FGGF COC(=O)c1cc2[nH]c([C@H](Br)C(C)(C)OC)nc2cc1OC 586970696 DQALGDPWIUECOI-LBPRGKRZSA-N 371.231 3.219 50 1 FGGF CC(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(C)C[S@](=O)c1ccccc1 102193997 OEFDWGOFZFVNPW-ALFGJQIHSA-N 352.452 3.005 50 1 FGGF CCCN1N=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Cl)C1=O 587499149 LFZICUSXESKPPO-PKOBYXMFSA-N 360.841 3.115 50 1 FGGF C=C1CCC=C(C)C(=O)[C@@H]2OC(=O)C(=C)[C@@H]2C[C@@H]2O[C@@]2(C)CC[C@@H]1OO 2356796054 MTKKKAYMCSNBBV-IMAGNOHSSA-N 362.422 3.136 50 1 FGGF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 587068999 HDYADFIDPNRTGS-JTQLQIEISA-N 356.813 3.196 50 1 FGGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CCCCl)(c2ccc(O)cc2)N1 962906339 XRMSTYIEEZHOPI-QFBILLFUSA-N 363.816 3.393 50 1 FGGF N#CC1=C(N)n2nc(N)c(Cc3ccco3)c2N[C@H]1c1ccc(Cl)cc1 957605569 FXNZUDIAPFWKAM-HNNXBMFYSA-N 366.812 3.120 50 1 FGGF C/C(=C\C[C@@H](O)[C@](C)(Br)CCl)C(=O)CBr 85951672 JFBIONWRLPBEBH-ZCZHLORFSA-N 362.489 3.040 50 1 FGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnn(C)c2)N1 587684727 LVLGACJCWPNDDV-RFAUZJTJSA-N 372.669 3.338 50 1 FGGF CC(=C/c1ccccc1)/C=N/NC(=O)C(=O)N/N=C\C(C)=C\c1ccccc1 31636942 DDWMYLDFCXXFJT-IHFNZCNLSA-N 374.444 3.397 50 1 FGGF Cc1c(F)ccc2c1[C@](CCl)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)NCC2 962143559 IGYJRAGQVAKQNB-ODXCJYRJSA-N 374.843 3.482 50 1 FGGF C=C1C(=O)O[C@H]2[C@H]3O[C@H](C[C@H]12)[C@](C)(O)CC=C[C@@](C)(OO)CCC[C@H]3C 2356590674 XZSXVXVLKQOFSZ-KADHTFEDSA-N 366.454 3.007 50 1 FGGF N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1nc2c(Cl)cccc2[nH]1 73366565 ANSKQCZGMAQNOE-WQLSENKSSA-N 352.781 3.145 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103195897 WEWYKNVABULCLM-ZVCPYXNNSA-N 354.443 3.492 50 1 FGGF COC(=O)c1cccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1 587371513 GCMSGJSQBVOCMZ-IBGZPJMESA-N 359.809 3.463 50 1 FGGF O=C=Nc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587275848 GNCRFKZCHNJPFH-UHFFFAOYSA-N 373.162 3.281 50 1 FGGF COc1cc(O)cc(-c2cccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2)c1 587931357 HTMPXSBTQXPQNO-UHFFFAOYSA-N 374.400 3.215 50 1 FGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](Br)C=O)N1 587670447 KNADLQJSBVTYFK-SVERMHFZSA-N 365.040 3.126 50 1 FGGF CCOCCOC(=O)/C(C#N)=C(\NCc1ccc2ccccc2n1)SC 103200617 ZNCMRNVUIMXTAE-FBMGVBCBSA-N 371.462 3.002 50 1 FGGF CN(C)CCSSCCNC(=O)c1ccccc1C(F)(F)F 618008452 GMBLKDLWBQRTBK-UHFFFAOYSA-N 352.447 3.378 50 1 FGGF O=C(NCCCCl)/C(Cc1ccc(OCc2ccccc2)cc1)=N\O 299866940 XAZVMONCXRVWGS-PYCFMQQDSA-N 360.841 3.383 50 1 FGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](Br)C=O)N1 587671237 PUYFQAXLWCBKLH-MDSUWVFBSA-N 365.040 3.126 50 1 FGGF Cc1nc2ccccc2nc1OCC(=O)N/N=C/c1ccc(Cl)cc1 299836876 NXCCBFUBKRGIIF-KEBDBYFISA-N 354.797 3.121 50 1 FGGF N[C@H](CCl)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587012002 VZFBDUKJSBUJFT-RXMQYKEDSA-N 358.545 3.463 50 1 FGGF C/C(NNC(=O)CSCc1ccccc1Cl)=C1/C=C(O)C=CC1=O 100527609 XYBWNQGFFBJJMB-SDNWHVSQSA-N 364.854 3.049 50 3 FGGF COc1ccc2c3c([nH]c2c1)[C@H]1C[C@H]2C(C=O)=C(C)OC[C@H]2[C@@H](C3)N1C 2356692899 ONBPJDNLJKBJSV-XFHUWUJUSA-N 352.434 3.213 50 1 FGGF C=C1CC[C@H]2O[C@@]2(C)CC[C@@H]2C[C@H](OC(=O)C2=C)[C@](C)(O)CC[C@@H]1OO 2356801161 RKOIXCYVHDILNO-JLEOBMEESA-N 366.454 3.151 50 1 FGGF CS(=O)(=O)N1C[C@H](CCl)c2ccc(OCc3ccccc3)cc21 27430196 ZDHXDSIOQZSTPP-AWEZNQCLSA-N 351.855 3.368 50 1 FGGF CN(C)CCSSCCNC(=O)c1ccc(C#Cc2ccccc2)o1 198575343 LMFCULCDXBRNAA-UHFFFAOYSA-N 374.531 3.352 50 1 FGGF COc1cc2c3c(c1)O[C@@](/C(C#N)=C/N(C)C)(c1cccs1)[C@@H](C2)C3=O 587453497 WVIMICURXFUNMJ-JZMAZTOCSA-N 366.442 3.369 50 1 FGGF C/C(=N\NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1 58627047 FTUDXOGNVSKYJC-OVCLIPMQSA-N 352.144 3.104 50 1 FGGF Cc1cccc2c(CC(=O)NCCCSSCCN(C)C)c[nH]c12 618017126 DZWBCAPBXKGDDB-UHFFFAOYSA-N 365.568 3.468 50 1 FGGF CCOc1ccc(OCc2ccc(C(=O)NN/C=C3/C=CC=N3)cc2)cc1 34240745 FBXRJOQMIMAOKK-JXAWBTAJSA-N 363.417 3.381 50 3 FGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4nc(O)[nH]c4c1)[C@@H](C2)C3=O 587424131 XLSOJNPDZIJMBZ-BUXKBTBVSA-N 370.792 3.159 50 1 FGGF Cc1c(F)ccc2c1[C@@](CCl)(c1ccc3c(c1)NC(=O)[C@H](C)O3)NCC2 962143548 IGYJRAGQVAKQNB-FKIZINRSSA-N 374.843 3.482 50 1 FGGF O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-c2ccccc2)c1 1857578201 PJPDFQSMVBLGDH-UHFFFAOYSA-N 370.405 3.116 50 1 FGGF CCCc1c(O)ccc2c1O[C@](C)([C@H](NC(=O)CCl)C(C)C)CC2=O 587461905 VCULEJWXZQPYHM-MOPGFXCFSA-N 367.873 3.448 50 1 FGGF COc1ccc(C(=O)N/N=C/c2c(Cl)c3ccccc3oc2=O)cc1 1772652364 LCUAYLBCQRSTOZ-KEBDBYFISA-N 356.765 3.219 50 1 FGGF CO[C@@]1(C=C(C)C[C@H]2C=C(CCC(C=O)=C(C)C)C(=O)O2)C=C(C)C(=O)O1 2356382170 OVTFNRUPJPIJDK-GHTZIAJQSA-N 374.433 3.336 50 1 FGGF Cc1ccc(Cl)c2c1NC(=O)/C2=N\NC(=O)[C@H](C)c1ccc(F)cc1 72178813 BJBAWHNTXVMAOU-SNVBAGLBSA-N 359.788 3.364 50 1 FGGF CC(=O)Nc1cc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)ccc1O 587371926 ICMUYAAWVUHGFH-LJQANCHMSA-N 374.824 3.341 50 1 FGGF N#C/C(=C\c1cnc(=NCc2ccccc2)[nH]c1)c1nc2ccccc2[nH]1 1857744592 ILRAMERHHAYJRT-LICLKQGHSA-N 352.401 3.451 50 1 FGGF CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495807 FZVMFEHMCLWLBI-PKOBYXMFSA-N 364.825 3.029 50 1 FGGF CN(C)CCSSCCCNC(=O)Cc1c[nH]c2ccccc12 618007975 PAESOMWBFQURMX-UHFFFAOYSA-N 351.541 3.160 50 1 FGGF CCOC(=O)c1csc2nc(-c3cccc(NC(=O)CCl)c3)cn12 473113223 HYWPDIKBCAFTPJ-UHFFFAOYSA-N 363.826 3.417 50 1 FGGF CC(C)(C(=O)NCc1ccccc1)c1ccc(S(=O)(=O)/C=C/C#N)cc1 147608796 UDDRAQVIZAFARS-MKMNVTDBSA-N 368.458 3.092 50 1 FGGF Cc1c(F)ccc2c1[C@@](CCl)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)NCC2 962143553 IGYJRAGQVAKQNB-MPBGBICISA-N 374.843 3.482 50 1 FGGF O=C1c2c(O)cccc2C2(Oc3cccc4cccc(c34)O2)[C@@H](O)[C@@H]1Cl 2356721979 VERJQRRBSKVZER-MJGOQNOKSA-N 368.772 3.334 50 1 FGGF COc1cc2c3c(c1)O[C@](CCl)(c1c[nH]c4ccncc14)[C@@H](C2)C3=O 587422706 RNIILOKJUYYDCO-DJJJIMSYSA-N 354.793 3.453 50 1 FGGF O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc4n[nH]cc4c3)o2)c1 473131941 QCEZVWUMLHGSRC-SSDVNMTOSA-N 374.356 3.285 50 1 FGGF COC(=O)C[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689473 SUENCXOKSJNTNM-XLKFXECMSA-N 364.642 3.120 50 1 FGGF CN(C)CCSSCCNC(=O)c1cc(Cl)cc(Cl)c1O 618008031 QOKPIYOPGDUDJE-UHFFFAOYSA-N 369.339 3.372 50 1 FGGF CC1CCN(Cc2ccc(NC(=O)N/N=C/c3ccccn3)cc2)CC1 1857587516 NQEWWGXVCDLERN-HYARGMPZSA-N 351.454 3.469 50 1 FGGF Cc1c(CNC(=O)CCl)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985364 GBZRBFXGCDPMPY-UHFFFAOYSA-N 366.804 3.315 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(CC(=O)O)s1)O2 587412533 ZRBXNTUXOPDTOH-KRWDZBQOSA-N 365.838 3.365 50 1 FGGF O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](O)c1ccccc1 13138810 HVYAPCKANOETKX-BDBXIWDTSA-N 365.345 3.039 50 1 FGGF CCCc1c(O)ccc2c1O[C@@](CBr)([C@H]1CCOC1)CC2=O 587455367 BCDFFHLYZYEDDX-GTNSWQLSSA-N 369.255 3.480 50 1 FGGF COc1cc2c3c(c1)O[C@@](/C(C#N)=C\N(C)C)(c1cccs1)[C@@H](C2)C3=O 587453492 WVIMICURXFUNMJ-AECYPWRYSA-N 366.442 3.369 50 1 FGGF N#CCc1ccccc1/C(C#N)=C1/OC(=N)[C@@H](c2ccccc2CC#N)C1=O 5810607 BESXYZBXFLUMDX-DVWMNMFYSA-N 366.380 3.414 50 1 FGGF C=C1C(=O)O[C@H]2/C=C(/C)C[C@@H]3C=C(C/C=C\[C@@](C)(OO)CC[C@H]12)C(=O)O3 169292604 WSXLFQQZQWNCIS-ANSMEGRTSA-N 360.406 3.261 50 1 FGGF COc1ccc(/C=N/NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1 95583972 IFJBHFDNYBNAFZ-XQNSMLJCSA-N 365.477 3.100 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(N)cc1)O2 587370399 BBGPSNDLORPGQX-KRWDZBQOSA-N 361.239 3.415 50 1 FGGF COCCN(C)c1n[nH]c2ccc([C@H]3C(C#N)=C(C)N=C(C)[C@H]3C#N)cc12 226386790 RWBZQZPFIBQLJC-VQIMIIECSA-N 362.437 3.141 50 1 FGGF COc1ccc2c(c1)[C@]1(CCOC[C@H]1Br)N(C(C)C)CC2 962091099 LGMJPJZNULXMMG-SJORKVTESA-N 354.288 3.341 50 1 FGGF N[P@@](=O)(OCc1ccc([N+](=O)[O-])s1)N(CCCl)CCCl 26379337 DPWMZZCDKXBXIM-LJQANCHMSA-N 362.175 3.019 50 1 FGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(CCl)=CC2=O)N1 587687295 ZQFPDDUGBDFFND-VXJOIVPMSA-N 374.637 3.040 50 1 FGGF CC(C)C(=O)Nc1ccc([C@@]2([C@H](C)Cl)c3nn(C)cc3CCN2C)cc1 963953702 CMCBWXXQHKMINS-XOBRGWDASA-N 374.916 3.373 50 1 FGGF Cc1ccnc2c1CCN[C@]2(CBr)c1ccnc(Cl)c1 963082172 AQOBIIWYLUZFQM-OAHLLOKOSA-N 352.663 3.223 50 1 FGGF NNC(=O)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587016840 CUTDUKPVOXTWGI-UHFFFAOYSA-N 370.825 3.005 50 1 FGGF N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)N1CCc2ccccc21 35996547 HMLVYNGGOOQKLY-LFIBNONCSA-N 371.396 3.222 50 1 FGGF Cc1ccc(Cl)c2c1NC(=O)/C2=N\NC(=O)[C@@H](C)c1ccc(F)cc1 72178812 BJBAWHNTXVMAOU-JTQLQIEISA-N 359.788 3.364 50 1 FGGF CCOc1ccc(/C=N/NC(=O)c2nc3ccccc3[nH]2)cc1OCC 1857762626 CJQIAVTYHJAEAL-UDWIEESQSA-N 352.394 3.124 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3ccco3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43397146 CCDVDLYMRUSZMF-QGKRQCMOSA-N 361.438 3.474 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)CCCl)(c1ccccc1)O2 587376867 UPINNPSPAPTNJK-FQEVSTJZSA-N 372.852 3.183 50 1 FGGF CC(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(C)C[S@](=O)c1ccccc1 101766649 OEFDWGOFZFVNPW-LPOHRZLHSA-N 352.452 3.005 50 1 FGGF O=c1[nH]c2nonc2[nH]c1=Nc1ccc(S(F)(F)(F)(F)F)cc1 1911574233 QPMHZNYDWWWMSA-UHFFFAOYSA-N 355.248 3.129 50 1 FGGF NCCSSCCC(=O)NCc1cccc(C(F)(F)F)c1F 618007620 IEDXSZKDDHITCN-UHFFFAOYSA-N 356.410 3.191 50 1 FGGF CCCc1c(O)ccc2c1O[C@](C(F)F)([C@@H](Cl)C(=O)OC)CC2=O 587464443 QMUUNMYRCBWTQH-BBRMVZONSA-N 362.756 3.094 50 1 FGGF COc1ccc(/C(=N/NC(N)=O)c2ccccc2)cc1OC1CCCC1 13535341 WPICJHYTGWAHIA-ZBJSNUHESA-N 353.422 3.437 50 1 FGGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2c[nH]cn2)n1 13647783 QOEAHTBZGUOMCB-GHRIWEEISA-N 361.434 3.264 50 1 FGGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC=C[C@](C)(OO)CC[C@@H]2O 2356644821 UVJNJQSZPMSYRE-WKSOIMLMSA-N 366.454 3.151 50 1 FGGF Cc1ccc(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)o1 95809772 IIZZNMJXVMJHTQ-DEDYPNTBSA-N 357.410 3.333 50 1 FGGF COC(=O)[C@]1([C@H](Cl)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417710 OVXCKEGLQYXWMT-DJKXOVBDSA-N 372.804 3.335 50 1 FGGF CC(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@@]2(C)C[S@](=O)c1ccccc1 102194004 OEFDWGOFZFVNPW-RUFRXDRSSA-N 352.452 3.005 50 1 FGGF COc1ccc([C@@H]2C(C#N)=C(C)NC3=C2S(=O)(=O)c2ccccc23)cc1 36383703 NYHILBZIVBKXAY-GOSISDBHSA-N 364.426 3.336 50 3 FGGF CN(C)CCSSCCNC(=O)C1=Cc2c(Cl)cccc2OC1 618008883 NJOSTFBGPKVMAG-UHFFFAOYSA-N 372.943 3.175 50 1 FGGF CC(=O)OC[C@@H](Br)[C@@]1(C)CC[C@@H](C(C)(C)Br)O1 31861582 MFOZEGIDWYEJRE-JFGNBEQYSA-N 372.097 3.424 50 1 FGGF CCOc1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1 201289117 FGMJIDOPZAXFFH-QPSGOUHRSA-N 367.236 3.349 50 1 FGGF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC=C[C@]([C@@H](C)Cl)(C1)[C@H]23 2356424755 UNQYUBCRSGGIMW-JTMTTYTKSA-N 370.880 3.439 50 1 FGGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(N)cc1)[C@@H](C2)C3=O 587411920 GHCFVXYENZPXQC-KSSFIOAISA-N 374.234 3.315 50 1 FGGF Cc1[nH]nc2c1[C@@H](c1cc(=O)oc3c1ccc1ccccc13)C(C#N)=C(N)O2 1857628497 YBDCARDSBMOARG-SFHVURJKSA-N 370.368 3.196 50 1 FGGF C=C1C(=O)O[C@@H]2[C@@H]1C[C@@H]1O[C@]1(C)CC=C[C@](C)(OO)CCC[C@@H](C)[C@H]2O 2356807769 YCVXVTQESRNCDE-VDMPYQNRSA-N 366.454 3.007 50 1 FGGF C#C/C=C/C[C@@H](Cl)[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)C=C[C@@H](CC)O1 238752515 RLYHYXSICKPCGG-OFZGYPNWSA-N 368.857 3.160 50 1 FGGF CC(C)(F)[C@@H](Br)c1nc2nc(Br)c[nH]c-2n1 587086489 AVBXZKHHZSMIJW-YFKPBYRVSA-N 352.005 3.251 50 1 FGGF COc1ccc(/C=N/NC(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2N)cc1 653723630 UDLHJVARSXNYBN-UFFVCSGVSA-N 369.812 3.085 50 1 FGGF Cn1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(N)=O 587496205 BYELNXRGXQGRBS-HXUWFJFHSA-N 372.852 3.102 50 1 FGGF CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccccc1Cl 1857643390 OOQAVDCZWUELDP-XOBNHNQQSA-N 359.773 3.452 50 1 FGGF COc1cc2c3c(c1)O[C@](CBr)(c1nccs1)[C@@H](C2)C3=O 587452404 MNYFEDFMRRZLCG-BONVTDFDSA-N 366.236 3.190 50 1 FGGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC)c1ccc(Cl)c(B(O)O)c1 963233820 DHMKZPGNBVEBAZ-BTYIYWSLSA-N 371.717 3.330 50 1 FGGF CCCc1c(O)ccc2c1O[C@@](/C=C/N1CCOCC1)(CCl)CC2=O 587460655 VHWPBQHFZQKGKU-OVKVCFKUSA-N 365.857 3.133 50 1 FGGF CN(C)CCSSCCCNC(=O)c1ccc(C(F)(F)F)cn1 618017559 SGSIKNUEBLSFTL-UHFFFAOYSA-N 367.462 3.163 50 1 FGGF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)Br)[nH]c2c1 587009324 ZZAYINWDLQUNRG-VIFPVBQESA-N 360.277 3.049 50 1 FGGF CCOC(=O)[C@H](Cl)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587688758 NVXSFABFWKGVOT-YLJLNXRRSA-N 364.642 3.334 50 1 FGGF COc1ccc2c(c1)Cc1c-2n[nH]c1C(=O)N/N=C/c1ccc(Cl)cc1 1857545375 DOWVHCIRNKQYEV-UFFVCSGVSA-N 366.808 3.407 50 1 FGGF COc1cc2c3c(c1)O[C@](CCl)([C@@H](C#N)c1nc(C)cs1)[C@@H](C2)C3=O 587453661 XYTFCKBJGSRSMX-LXIYXOSZSA-N 374.849 3.493 50 1 FGGF C/C(NNC(=O)c1cc(C2CC2)nc2ccccc12)=C1/C=CC(=O)C=C1O 100525628 UJMQFGRICYQUNT-NTCAYCPXSA-N 361.401 3.201 50 3 FGGF N[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1F)N(CCCl)CCCl 64548560 SYDMJXOERPEUTC-JOCHJYFZSA-N 374.136 3.097 50 1 FGGF C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)N(Cc3ccccn3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 195306576 VUFWDQIDRMHCAU-DMAKZPCZSA-N 372.465 3.276 50 1 FGGF N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl 40980171 SRZAPRPOEUQSKE-BJMVGYQFSA-N 359.725 3.205 50 1 FGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CCl)OCC2=O)N1 587683492 HJXIBQFHYTTYKC-ANRSDYALSA-N 374.637 3.040 50 1 FGGF O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc2c(cn1)[nH]c1ccccc12 103175705 SSYVWYWVNMFZBJ-FBHDLOMBSA-N 359.345 3.388 50 1 FGGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 103175361 OCEUVHLZANAROC-DZGCQCFKSA-N 360.200 3.187 50 1 FGGF CC(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(C)C[S@](=O)c1ccccc1 101766656 OEFDWGOFZFVNPW-DTPBCAQXSA-N 352.452 3.005 50 1 FGGF CCOCCOC(=O)/C(C#N)=C(/NCc1ccc(Cl)cc1)C(C)C 103183757 XORBJMBVBBUMDO-WUKNDPDISA-N 350.846 3.443 50 1 FGGF Nc1ccc(C2=NN(C(=O)CCl)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 653726369 DWJBICFPBCKZIW-MRXNPFEDSA-N 358.785 3.094 50 1 FGGF COC(=O)/C(C#N)=C1\SCC(=O)N1c1ccc(-c2ccccc2)cc1F 584904662 LPVBNESBSNMJKY-JXAWBTAJSA-N 368.389 3.481 50 1 FGGF in-vitro CC(C)C(=O)Nc1ccc([C@@]2([C@@H](C)Cl)c3nn(C)cc3CCN2C)cc1 963953701 CMCBWXXQHKMINS-VLIAUNLRSA-N 374.916 3.373 50 1 FGGF CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1cccs1 100087463 VFNVWKRPRANWNO-LBFFYKKLSA-N 363.464 3.066 50 1 FGGF O=C(Nc1ccccc1C(=O)N/N=C/c1ccco1)c1ccc(F)cc1 1021253 CFHZRYJOUAEEEK-CIAFOILYSA-N 351.337 3.435 50 3 FGGF N[P@](=O)(OCc1ccc([N+](=O)[O-])c(F)c1)N(CCCl)CCCl 64548557 HKCNYMPHKZXWRF-QFIPXVFZSA-N 374.136 3.097 50 1 FGGF CN(C#N)N(C)C(=O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1 66103490 SCCNQBNFEHNRCO-SFHVURJKSA-N 372.469 3.038 50 1 FGGF Cc1ccc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)cc1 95557175 DSHLSGLVTOSSHJ-UHFFFAOYSA-N 368.842 3.123 50 1 FGGF O=C1OC(=O)c2cc(-c3nc4ccc(Br)c(F)c4[nH]3)ccc21 586906377 LTIZKSUGWLBRCY-UHFFFAOYSA-N 361.126 3.442 50 1 FGGF O=C(Cl)CCCCC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 1857581402 KMWVJCRPDDAIPS-UHFFFAOYSA-N 368.802 3.378 50 1 FGGF C=C1C(=O)O[C@H]2[C@H]3O[C@H](C[C@H]12)[C@](C)(O)CC=C[C@](C)(OO)CCC[C@H]3C 2356590676 XZSXVXVLKQOFSZ-WBIHNSSASA-N 366.454 3.007 50 1 FGGF C=C1C(=O)O[C@@H]2C(=O)[C@@H](C)CCC[C@@](C)(OO)/C=C/C[C@]3(C)O[C@H]3C[C@H]12 238751801 BTJROEGVRQVIDB-SIIRMCNFSA-N 364.438 3.216 50 1 FGGF CN(C)CCSSCCCNC(=O)c1ccnc(C(F)(F)F)c1 618017201 IOXSUGKCBSWDEE-UHFFFAOYSA-N 367.462 3.163 50 1 FGGF NNC(=O)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587783135 XTJAIFIELOPEDA-UHFFFAOYSA-N 374.400 3.118 50 1 FGGF CC(C)(C)[Si](C)(C)ONC(=O)CC(=O)OCc1ccc([N+](=O)[O-])cc1 473155030 OIRUEVQHWKIFMB-UHFFFAOYSA-N 368.462 3.081 50 1 FGGF CCCc1c(O)ccc2c1O[C@](C(=O)OC)([C@H](C)Br)CC2=O 587450597 GMSGISFXPOLBEC-FVMDXXJSSA-N 371.227 3.005 50 1 FGGF COC(C)(C)[C@H](Br)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586971488 STSOCAKZXXAZJV-CYBMUJFWSA-N 352.232 3.309 50 1 FGGF CCCc1c(O)ccc2c1O[C@](/C=C/N1CCOCC1)(CCl)CC2=O 587460651 VHWPBQHFZQKGKU-GHOSXJJBSA-N 365.857 3.133 50 1 FGGF COc1ccc(/C=N/N/C=C2\C=NC(=O)C(C#N)=C2Nc2ccccc2)cc1 103764786 KDJLFMCDWCIAMH-OYMRNENVSA-N 371.400 3.003 50 3 FGGF CCO[P@@](=O)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425476 XHJIIZZKZBZQST-DEOSSOPVSA-N 362.753 3.186 50 1 FGGF COc1ccc(/C=C/C(=O)NCCCSSCCN)cc1Cl 618007546 CYHHNVZWEAQIGT-GQCTYLIASA-N 360.932 3.208 50 1 FGGF CN(C)CCSSCCCNC(=O)c1cccc(C(F)(F)F)n1 618017218 JKRXEFLZZZPFHN-UHFFFAOYSA-N 367.462 3.163 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C(C#N)=C/N(C)C)(c1cccs1)O2 587412700 KCRWKMHVFSTJKV-XSSIKURBSA-N 353.447 3.469 50 1 FGGF O=C1C[C@@](/C=C\N2CCOCC2)(CCl)Oc2c1ccc1c2CCCC1 587499585 WBDXJGNEAWTGCH-AQWUKCDYSA-N 361.869 3.354 50 1 FGGF CC(/C=C/C=O)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@H](O)CC[C@]21C 197455946 JPMWBEHLCOISNJ-BMKALOEQSA-N 360.494 3.223 50 1 FGGF COc1ccc(Cl)cc1C#Cc1cnc(NNC(=O)OC(C)(C)C)nc1 587908179 NKRLRUVMJJZIIT-UHFFFAOYSA-N 374.828 3.390 50 1 FGGF Cc1ccc2oc(=O)cc(CC(=O)N/N=C/c3ccc(Cl)cc3)c2c1 40917294 FSKUJRAZFLFVHR-SRZZPIQSSA-N 354.793 3.448 50 1 FGGF COc1ccc2c3c1O[C@@H]1[C@H](O[Si](C)(C)C)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]314 261165856 RXSDDUCBUIPWHI-PFIKMOSVSA-N 371.553 3.360 50 1 FGGF in-vitro COc1ccc(C=C(C#N)C(=O)OC[C@H]2CCCN3CCCC[C@H]23)cc1 2356733336 PXKYUOIXDOETGP-YLJYHZDGSA-N 354.450 3.410 50 1 FGGF CCCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 299819612 ATUOKHGDQMTDSY-YQVWRLOYSA-N 361.873 3.222 50 1 FGGF CS(=O)(=O)/C(C#N)=C/c1cc(-c2cnc3ccccc3n2)ccc1F 1857556987 DDUSELVAZMFATA-NTEUORMPSA-N 353.378 3.345 50 1 FGGF C[C@](Cl)(C=CBr)[C@@H]1CO[C@@](C)(O)[C@@H](Br)C1 2356535360 XHCSYCLPVDIJNC-AATLWQCWSA-N 362.489 3.401 50 1 FGGF Cc1nc2cc(C(=O)NCCSSCCN(C)C)cc(Cl)c2[nH]1 618016947 CTYKYXVEKPCWCG-UHFFFAOYSA-N 372.947 3.198 50 1 FGGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](O)[C@@](O)(C#N)[C@@]4(C)CC[C@@H]32)C1 2356731196 FQCJGWJLPOAZDO-KCWZSGSESA-N 373.493 3.106 50 1 FGGF O=C(CBr)NCCc1nc2ccc(Oc3ccccc3)cc2[nH]1 586970960 JBBMJWBJYXHCEG-UHFFFAOYSA-N 374.238 3.409 50 1 FGGF COC(C)(C)[C@@H](Br)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586970549 CHTZBEWSPUQNJY-LBPRGKRZSA-N 354.248 3.126 50 1 FGGF CC(C)c1nn(C)c2c1[C@@]1(NCC2)C(C=O)=COc2cc(Cl)ccc21 962917962 MJZUYWJLFBEFST-LJQANCHMSA-N 357.841 3.061 50 1 FGGF CO[C@](C)(C=C1C=C(C)C(=O)O1)C[C@@H]1C=C(CCC(C=O)=C(C)C)C(=O)O1 2356464522 MSDPTAGLGJLKRT-GHTZIAJQSA-N 374.433 3.336 50 1 FGGF CN(C)CCSSCCN(C)C(=O)c1ccc(Br)o1 618010015 NXINNSDCCOFNIT-UHFFFAOYSA-N 367.334 3.057 50 1 FGGF C=C1C(=O)O[C@@H]2C(=O)C(C)=CCC[C@](C)(OO)C=CC[C@]3(C)O[C@@H]3C[C@H]12 2356800384 PZVJKRYLBVBGHB-VCNAKFCDSA-N 362.422 3.136 50 1 FGGF COc1ccc2c3c(n(C)c2c1)[C@H]1C[C@H]2C(C=O)=C(C)OC[C@@H]2[C@@H](C3)N1C 14417413 OKOHMBRGHIAYBH-GDVKCFTOSA-N 366.461 3.224 50 1 FGGF biogenic CN(C)C(=O)[C@H](Cl)[C@]1(C)c2ccsc2CCN1Cc1ccco1 962702786 GPOOPSVEFRCVMA-RDJZCZTQSA-N 352.887 3.310 50 1 FGGF C=C1CC[C@@H]2C(=C)C(=O)O[C@H]2C=C(C)C[C@@H]2C=C(CC[C@H]1OO)C(=O)O2 253668112 VTUGHLCKKNSTAF-TVFCKZIOSA-N 360.406 3.261 50 1 FGGF O=C(O)[C@@H]1Cc2cc(F)ccc2C2(CCC(CBr)CC2)N1 962898696 MKWVTNNLIWIACA-BHKPVTDMSA-N 356.235 3.205 50 1 FGGF CCNc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(OC)c2c(c1)OCO2 34228112 DXSAARNZHKXGBF-GOSISDBHSA-N 365.389 3.074 50 1 FGGF C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@H]2[C@]1(C)O 238750870 NPRJCRQECPZJIM-KOWWWBHVSA-N 366.454 3.199 50 1 FGGF COc1cc2c3c(c1)O[C@](CCl)([C@H](C#N)c1nc(C)cs1)[C@@H](C2)C3=O 587453659 XYTFCKBJGSRSMX-JCGVRSQUSA-N 374.849 3.493 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)oc(=O)n3C)O2 587373916 UJQHUHKUDDEDFC-LJQANCHMSA-N 372.808 3.122 50 1 FGGF Cc1ccc([C@]2(CCl)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)s1 963472265 PPCBMTFCJNQQAA-SUMWQHHRSA-N 351.855 3.152 50 1 FGGF COc1ccc2c3c1O[C@@H]1[C@H](O[Si](C)(C)C)C=C[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169906447 RXSDDUCBUIPWHI-SXHWCIJUSA-N 371.553 3.360 50 1 FGGF COc1cc(/C=N\NC(=O)c2cc3c(cn2)[nH]c2ccccc23)ccc1O 103175708 WVZVCAOPGKKSFB-YVNNLAQVSA-N 360.373 3.194 50 1 FGGF CN(C)CCSSCCCNC(=O)Cc1ccc2cc[nH]c2c1 618017457 QKEDLMOYIFHINZ-UHFFFAOYSA-N 351.541 3.160 50 1 FGGF Cc1c(C=C(C#N)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 1857623093 QDUOCLSEXSLRSS-UHFFFAOYSA-N 360.373 3.457 50 1 FGGF CCC(C)(C)c1ccc(OCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1 587564631 NFMPWYFPFOMEEH-UHFFFAOYSA-N 352.438 3.433 50 1 FGGF CCOC(=O)c1csc2nc(-c3ccc(NC(=O)CCl)cc3)cn12 473114596 NXFXZFJVJBZDNR-UHFFFAOYSA-N 363.826 3.417 50 1 FGGF O=C1OC(=O)c2cc(-c3nc4cc(Br)cc(F)c4[nH]3)ccc21 586906935 HOMZBXPKLOOWQG-UHFFFAOYSA-N 361.126 3.442 50 1 FGGF CC(C)N1N=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Cl)C1=O 587496269 AWFPOEIRALOBAT-PKOBYXMFSA-N 360.841 3.113 50 1 FGGF N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 2500567 FVMKFVVIHLUROK-LJQANCHMSA-N 367.412 3.147 50 1 FGGF C/C(N)=C(/C#N)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689047 PCGOAJJWABXROF-FHAJFMDZSA-N 372.669 3.313 50 1 FGGF Cc1ccc([C@@]2(CCl)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)s1 963472262 PPCBMTFCJNQQAA-GUYCJALGSA-N 351.855 3.152 50 1 FGGF CO[C@@](C)(C=C1C=C(C)C(=O)O1)C[C@H]1C=C(CCC(C=O)=C(C)C)C(=O)O1 2356464523 MSDPTAGLGJLKRT-NQIIRXRSSA-N 374.433 3.336 50 1 FGGF CN(C)C(=O)[C@@H](Cl)[C@]1(C)c2ccsc2CCN1Cc1ccco1 962702789 GPOOPSVEFRCVMA-WBVHZDCISA-N 352.887 3.310 50 1 FGGF CC(=O)O[C@@H]1C=C2COC[C@@H]2O[C@]2(C)CC[C@H](Br)C(C)(C)[C@@H]12 2356801619 QSOACSMAQLDCDE-RUCLQGLUSA-N 373.287 3.232 50 1 FGGF CCOc1cc(C(F)(F)F)nc(-c2ccc(NC(=O)CCl)cn2)n1 64512199 RMZAKEMVYITRIY-UHFFFAOYSA-N 360.723 3.133 50 1 FGGF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)C/C=C\[C@@](C)(OO)CC[C@@H]2O 238778304 UVJNJQSZPMSYRE-YJMCYKACSA-N 366.454 3.151 50 1 FGGF CCCc1c(O)ccc2c1O[C@@](/C=C\N1CCOCC1)(CCl)CC2=O 587460653 VHWPBQHFZQKGKU-LIXSYLKWSA-N 365.857 3.133 50 1 FGGF C=C1C(=O)O[C@@H]2C(=O)[C@H](C)CCC[C@](C)(OO)C=CC[C@]3(C)O[C@H]3C[C@@H]12 2356494390 BTJROEGVRQVIDB-UWZOKJBYSA-N 364.438 3.216 50 1 FGGF CCn1cc(C(=O)N/N=C/c2ccc(Cl)cc2)c(=O)c2ccc(C)nc21 103222707 URHJHBXWABKCKM-UFFVCSGVSA-N 368.824 3.142 50 1 FGGF COc1cc2c3c(c1)O[C@@](C)([C@H](Cl)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587417042 IRRLXJZTRAKJGM-BOUXLOLZSA-N 371.820 3.447 50 1 FGGF CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC/C1=N\NC(=O)c1ccncc1 103289653 CNIAKCJVZJHIPF-SABPEOHLSA-N 365.389 3.175 50 1 FGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnn(C)c2)N1 587682823 DSJBBWLLSGORQF-VFZGTOFNSA-N 372.669 3.338 50 1 FGGF COc1ccc2c3c1O[C@H]1[C@@H](O[Si](C)(C)C)C=C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169906444 RXSDDUCBUIPWHI-NFWXSOHESA-N 371.553 3.360 50 1 FGGF CCCCNC(=O)c1cccc(C(=O)N/N=C2\CCc3cccc(O)c32)c1 1857546000 CSBNDZJKLATWNO-HAVVHWLPSA-N 365.433 3.002 50 1 FGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnc(O)[nH]2)N1 587686991 YJEYAGJAJOPLLB-UOWDBTKRSA-N 374.641 3.034 50 1 FGGF CCOc1ccc(N2C(=O)/C(=N/c3ccccc3O)[C@@H](Cl)C2=O)cc1 169690588 WPLJPVGXESVGPG-OQCHKFKFSA-N 358.781 3.044 50 1 FGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnc(O)[nH]2)N1 587685244 OSKLEQKOFSJCHW-UOWDBTKRSA-N 374.641 3.034 50 1 FGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnn(C)c2)N1 587682821 DSJBBWLLSGORQF-PSLIRLAXSA-N 372.669 3.338 50 1 FGGF CCC[C@@H](O)CC=C(Cl)[C@H](O)C(Br)Br 2356800923 RGGZKQZEEGQAPA-SVRRBLITSA-N 350.478 3.137 50 1 FGGF CC(C)CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)/C=C/[C@H](C)Cl 103286502 HZETXLZPTLZRRF-SEIPJRMCSA-N 357.903 3.258 50 1 FGGF C[C@H](O)CCC[C@H](O)C=C[C@H]1[C@H](CCCCCCC(=O)O)[C@H]2C[C@H]1OO2 2356737128 WIWFIKCSWKFLRM-XREYTECCSA-N 370.486 3.215 50 1 FGGF CC(C)(C)c1ccc(C(=O)NNC(=O)C(=O)c2c[nH]c3ccccc23)cc1 72142591 LHLIGXZPCUMSAG-UHFFFAOYSA-N 363.417 3.109 50 1 FGGF Cc1ccc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 587188139 OMWBTXDIGGYZRJ-XNTDXEJSSA-N 366.446 3.186 50 1 FGGF N#CC(=C\c1ccc(Cl)cc1)/C=C1\SC(=S)N(CC(=O)O)C1=O 103229568 ZZCCSSKUUBSGEG-ZIIBAIFASA-N 364.835 3.076 50 1 FGGF C=C1C(=O)O[C@@H]2C(=O)C(C)=CCC[C@](C)(OO)C=CC[C@]3(C)O[C@H]3C[C@@H]12 2356800383 PZVJKRYLBVBGHB-UHBFJLORSA-N 362.422 3.136 50 1 FGGF N#CC1=C(N)N2C(=O)CSC2=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl 45286351 MYFMTLLYBXLSLI-CYBMUJFWSA-N 363.229 3.095 50 1 FGGF CN1CC(COC(=O)NCCCl)=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 169339647 ACTRWOPLUREICJ-NVXWUHKLSA-N 359.857 3.013 50 1 FGGF CC(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(C)C[S@](=O)c1ccccc1 101766652 OEFDWGOFZFVNPW-HHCLVPHBSA-N 352.452 3.005 50 1 FGGF C=C1C[C@@]2(C(=O)OC)C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)OC(=O)[C@@H]21 2356634945 OZTYHGQEMFWVSF-RPRBLNOCSA-N 360.450 3.418 50 1 FGGF COC(=O)[C@H](Cl)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688743 NTJOZHHMYUBTTP-ATMGAIRJSA-N 364.642 3.118 50 1 FGGF O=[P@@]1(N(CCCl)CCCl)N[C@H](OO)C[C@@H](c2ccccc2)O1 43833763 CNVQAYNVIOBNSS-SASJJMKUSA-N 369.185 3.441 50 1 FGGF CCCCCC(=O)[C@H](Br)C=C(Br)C(=O)OC 2356804497 ZDKBWWBSCGXXDR-MRVPVSSYSA-N 356.054 3.351 50 1 FGGF COc1ccc(Cl)cc1C#Cc1ccc2nc(C)cc(C(=O)NN)c2c1 587909332 SUEMKDIXJSHFKO-UHFFFAOYSA-N 365.820 3.209 50 1 FGGF CC(C=CC=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@](C)(C(=O)O)[C@H](O)CC[C@]21C 2356661115 YHMYMBINWXFRSP-IMILZGBUSA-N 374.477 3.315 50 1 FGGF COC(=O)CCCCCCC(=O)N/N=C/c1cccc(Br)c1 95808716 MOARJBJURKDFPE-LDADJPATSA-N 369.259 3.413 50 1 FGGF COc1ccc(-c2cn(CCSSCCN(C)C)nn2)c(C)c1 618012539 OBZINZCKOZDBQC-UHFFFAOYSA-N 352.529 3.205 50 1 FGGF COC(=O)[C@H](Cl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587688736 NRKODOFJQVMJHV-FDHQVAJDSA-N 364.642 3.118 50 1 FGGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cccc(O)c2[nH]1 587009382 CKIGASWTZOVEKS-HNNXBMFYSA-N 368.824 3.389 50 1 FGGF CC1(C)[C@@H](Br)[C@@H](O)C[C@]2(O)C[C@]3(C)CC[C@]12C[C@@H]3Cl 140462107 ZMHIWDPAJYFEAG-XAUBGQFWSA-N 351.712 3.460 50 1 FGGF O=C(N/N=C/c1ccc(Br)cc1O)c1cccc(F)c1F 1857550032 VSMVIPXRTHMXQV-CNHKJKLMSA-N 355.138 3.197 50 1 FGGF CN(C)CCSSCCCNC(=O)Cc1c[nH]c2ccc(F)cc12 618017722 WHTWXKDRQTYNKI-UHFFFAOYSA-N 369.531 3.299 50 1 FGGF O=C(OC1CSSC1)c1ccc(I)cc1 96283342 DLDRDGWEJWIERG-UHFFFAOYSA-N 352.218 3.212 50 1 FGGF C=CCNC(=S)NNC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 103200038 QSWVQURHCSGEJC-ZDUSSCGKSA-N 357.454 3.278 50 1 FGGF COC(=O)C=C(C=O)[C@@H]1C[C@@H]2[C@](C)(CC(=O)[C@@H]3C(C)(C)CCC[C@]23C)O1 2356570872 YQXPIEBOLNGSLQ-NJJMDDNLSA-N 362.466 3.254 50 1 FGGF CC=C(C=O)[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C[C@H]1C(=O)OC 2356578842 IXZVIOVJBGVURY-YQVWRLOYSA-N 352.434 3.021 50 1 FGGF CN1CCN(c2ccc3nc(CCCCBr)[nH]c3c2)CC1 586972630 XXLPMNQVLHXIML-UHFFFAOYSA-N 351.292 3.032 50 1 FGGF O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1ccc(Cl)cc1 103232058 AKHNCEKZUJRZFU-DJKKODMXSA-N 373.825 3.027 50 1 FGGF C=C(C=O)[C@@H]1Oc2ccc([C@H](C)OC(C)=O)cc2[C@H]1OC(=O)CC(C)C 2356582228 XQHWUPXUEFPMSI-QTJFZDIUSA-N 360.406 3.457 50 1 FGGF Cc1nc2ccccc2cc1C(=O)NN=C1C(=O)Nc2c(Cl)cccc21 1911576158 UHVXIDNFZRWZNB-UHFFFAOYSA-N 364.792 3.283 50 1 FGGF C=C1C(=O)O[C@H]2C(=O)[C@H](C)CCC[C@](C)(OO)/C=C\C[C@@]3(C)O[C@@H]3C[C@@H]12 137478575 BTJROEGVRQVIDB-CPXILZMWSA-N 364.438 3.216 50 1 FGGF COc1ccc(-c2cccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2)cc1O 587786691 OUONDGMAHJJNPL-UHFFFAOYSA-N 374.400 3.215 50 1 FGGF COC(=O)C=C(C=O)[C@@H]1C[C@@H]2[C@](C)(CC(=O)[C@H]3C(C)(C)CCC[C@]32C)O1 2356570871 YQXPIEBOLNGSLQ-BWOMAWGNSA-N 362.466 3.254 50 1 FGGF CCc1ccc(C(=O)CCC(=O)NCCSSCCN(C)C)cc1 618007626 CKICUBQBNATEMW-UHFFFAOYSA-N 368.568 3.271 50 1 FGGF O=C1C[C@](/C=C/N2CCOCC2)(CCl)Oc2c1ccc1c2CCCC1 587499584 WBDXJGNEAWTGCH-AQKVLALTSA-N 361.869 3.354 50 1 FGGF CC(C)(NC(=O)CCl)c1nc2c3cccnc3c3ncccc3c2[nH]1 587009570 LPNWGHOKTKPNNG-UHFFFAOYSA-N 353.813 3.249 50 1 FGGF CCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](CCc3ccccc3)[C@@H]2C1 169687783 AHAICFGBSDVPNL-UXHICEINSA-N 357.461 3.464 50 1 FGGF NNC(=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134521 MHWDNRSKMMYSFL-DUXPYHPUSA-N 368.265 3.032 50 1 FGGF CC(=O)O[C@H]1C(=O)C2=CC3=C(C=O)[C@@H](O)CC[C@@]3(C)CC[C@]2(C)[C@H]1C(C)C 38699386 KCPNSIPCHJTGHJ-MYHSIESUSA-N 374.477 3.156 50 1 FGGF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC)c1ccc(Cl)c(B(O)O)c1 963233832 DHMKZPGNBVEBAZ-YCRPNKLZSA-N 371.717 3.330 50 1 FGGF COC(=O)[C@@H](Cl)[C@@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587509916 YHWHEKJGHTXGAO-RHSMWYFYSA-N 358.768 3.315 50 1 FGGF C=CCOc1cc(C(F)(F)F)nc(-c2ccc(NC(=O)CCl)cn2)n1 64526868 VXJHIIBUFJFRMV-UHFFFAOYSA-N 372.734 3.300 50 1 FGGF N[C@H](C1CCCCCCC1)[C@H](O)C(=O)NNc1cccc2ccccc12 27995822 XYCFQVBXPXZQIR-UXHICEINSA-N 355.482 3.332 50 1 FGGF CC(=O)[C@](O)(C[C@H]1OC1(C)C)[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1 238764866 CYLYPTSAEXHPFD-ZZVJUGKHSA-N 367.711 3.435 50 1 FGGF CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccc(Cl)cc1 1857643138 TUQSDFCDHCWMCD-XOBNHNQQSA-N 359.773 3.452 50 1 FGGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](O)[C@@](O)(C#N)[C@@]4(C)CC[C@@H]32)C1 2356731199 FQCJGWJLPOAZDO-KGIOUCCPSA-N 373.493 3.106 50 1 FGGF COc1ccc2c(c1)c1c(n2C)[C@H]2C[C@H]3C(C=O)=C(C)OC[C@H]3[C@@H](C1)N2C 14719759 HDNASRQCNMQTQY-FEHMIHBQSA-N 366.461 3.224 50 1 FGGF biogenic Cn1c(/C=N\NC(=O)c2cc(Br)ccc2O)cc2ccccc21 96903364 GTHPHSMHLRBFBS-GRSHGNNSSA-N 372.222 3.410 50 1 FGGF CC(C)[C@@]12C=C3[C@@H](O)C[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@]3(CC1)OO2 238771166 NVIRVAAOVXZOTN-QKHQRUOFSA-N 350.455 3.464 50 1 FGGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(C)C[S@](=O)c1ccccc1 253852952 OEFDWGOFZFVNPW-KGQORXSCSA-N 352.452 3.005 50 1 FGGF COc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1 26152591 UYUNLVQVIOTTRZ-SFHVURJKSA-N 359.853 3.163 50 1 FGGF Cc1nc2ccncc2n1CCC(=O)N/N=C/c1c(O)ccc2ccccc12 96929696 JWVORFQUHSDAEE-FSJBWODESA-N 373.416 3.139 50 1 FGGF CO[C@@]1(/C=C(\C)C[C@H]2C=C(CCC(C=O)=C(C)C)C(=O)O2)C=C(C)C(=O)O1 13384200 OVTFNRUPJPIJDK-ABAPZYFKSA-N 374.433 3.336 50 1 FGGF C=C1C(=O)O[C@H]2C[C@H]1CC[C@]1(C)O[C@@H]1CCC(=C)[C@H](OO)CC[C@]2(C)O 2356801162 RKOIXCYVHDILNO-KHKZNYETSA-N 366.454 3.151 50 1 FGGF O=C(CCCCC(=O)N/N=C/c1ccc(-c2ccccc2)c(F)c1)NO 95809779 KYCLPVIASZHXMV-FYJGNVAPSA-N 357.385 3.009 50 1 FGGF CC1=C(c2ccc3nc(/C(C#N)=C/c4ccccc4)[nH]c3c2)NNC(=O)C1 587188340 QEFZZRBPWGUMLQ-MHWRWJLKSA-N 355.401 3.383 50 1 FGGF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC=C[C@@]([C@@H](C)Cl)(C1)[C@H]23 200011766 UNQYUBCRSGGIMW-VLCNGCBASA-N 370.880 3.439 50 1 FGGF C=C(CCCC(C)=O)[C@H](C(=O)O)[C@H](CC=O)C(C=O)=C1C=CC(C)(C)O1 2356441369 PBCDWCPMWSNXJT-QAPCUYQASA-N 362.422 3.026 50 1 FGGF CC(=O)OC[C@H](Br)[C@]1(C)CC[C@H](C(C)(C)Br)O1 5664082 MFOZEGIDWYEJRE-UMNHJUIQSA-N 372.097 3.424 50 1 FGGF C[C@H]1O[C@]23C[C@@H](c4ccc(C(F)(F)F)cc4)OC(=O)C2=C[C@@]1(C)OO3 96934025 ZHHRIFKTPFTONY-XXIOGYHUSA-N 356.296 3.455 50 1 FGGF CCOC(=O)[C@H](Cl)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587687732 HLSQGXIEJGAGAI-BLBGDKDGSA-N 364.642 3.334 50 1 FGGF COC(=O)[C@@]1([C@@H](Cl)c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587372830 NDCSQALIFHWZEB-HKUYNNGSSA-N 359.809 3.434 50 1 FGGF O=P(CCCCN=C=S)(OC[C@H]1CCCO1)OC[C@H]1CCCO1 1857743885 YMNKGNXMBQVUHE-HUUCEWRRSA-N 363.416 3.454 50 1 FGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](Br)C=O)N1 587671234 PUYFQAXLWCBKLH-HUABCPSTSA-N 365.040 3.126 50 1 FGGF CCOC(=O)[C@@]1(CCCCCCCl)NCCc2nc3ccccn3c21 962988230 XOKQSNCYGKHVEL-IBGZPJMESA-N 363.889 3.428 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(NC(N)=O)cc1)O2 587373870 TYONBYFMRULZNU-GOSISDBHSA-N 359.813 3.167 50 1 FGGF COc1ccc(C=C(C#N)C(=O)OC[C@H]2CCCN3CCCC[C@@H]23)cc1 2356733335 PXKYUOIXDOETGP-XLIONFOSSA-N 354.450 3.410 50 1 FGGF COc1cc2c3c(c1)O[C@@](CCl)([C@@H](C#N)c1nc(C)cs1)[C@@H](C2)C3=O 587453665 XYTFCKBJGSRSMX-ZJNRKIDTSA-N 374.849 3.493 50 1 FGGF COc1cc2c3c(c1)O[C@](CBr)(c1cccnc1)[C@@H](C2)C3=O 587413364 NARPLOADWGXYFP-SUMWQHHRSA-N 360.207 3.128 50 1 FGGF CCN1N=C[C@@]2(NCCc3cc(-c4ccccc4)ccc32)[C@@H](Cl)C1=O 962670566 RUYBMRLYMRYYTB-ICSRJNTNSA-N 353.853 3.150 50 1 FGGF COc1ccc(-c2coc3cc(OC(=O)CCl)cc(O)c3c2=O)cc1 84616547 WLWNEYKALQTCQZ-UHFFFAOYSA-N 360.749 3.318 50 1 FGGF O=C(Nc1cc2c3c(cccc3c1)C(=O)OC2=O)c1ccc2c(c1)OCO2 95582715 CUANRKHVLTXASO-UHFFFAOYSA-N 361.309 3.131 50 1 FGGF COc1ccc(Cl)cc1C#Cc1ccc([C@H]2C(=O)NC(=O)[C@@H]2Cl)cc1 587905575 AFZLVTCINIWCOC-IAGOWNOFSA-N 374.223 3.096 50 1 FGGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](OC(C)=O)[C@@H](OC(C)=O)C=C[C@H](CC)O1 2356605791 RLYHYXSICKPCGG-VMXHOPILSA-N 368.857 3.160 50 1 FGGF CC(/C=C/C=O)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O 136492050 YHMYMBINWXFRSP-CCIYIQOCSA-N 374.477 3.315 50 1 FGGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccccn1 95808877 LFKAMUWFDFAVDD-PXLXIMEGSA-N 368.437 3.217 50 1 FGGF N#C/C=C/c1ccc([C@H](NN)c2ccnc(Nc3ccc(C#N)cc3)n2)cc1 169350562 DSPDZNKBTSEYRC-ZGTHZTNPSA-N 367.416 3.181 50 1 FGGF COCCN(C)c1n[nH]c2ccc([C@@H]3C(C#N)=C(C)N=C(C)[C@@H]3C#N)cc12 169694604 RWBZQZPFIBQLJC-LPHOPBHVSA-N 362.437 3.141 50 1 FGGF CC(=O)O[C@@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(C)C[S@](=O)c1ccccc1 101766660 OEFDWGOFZFVNPW-MGVNIFGVSA-N 352.452 3.005 50 1 FGGF CC(C=O)=CCC[C@H](C)C1=CC[C@](C)(O)[C@@H]1CC1=C(O)CC[C@H](O)C1=O 2356454933 BFJUMKLBIUGBTH-TVLKCDEOSA-N 362.466 3.171 50 1 FGGF CC(C)(CCl)C(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587368579 MFMOZUHXRPEESY-UHFFFAOYSA-N 372.812 3.307 50 1 FGGF O=C1[C@@H]2SS[C@@H](C(=O)N2Cc2ccccc2)N1Cc1ccccc1 38214736 FXPKLEMHXHHIDS-ROUUACIJSA-N 356.472 3.105 50 1 FGGF CO[C@]1(c2ncc(F)cc2Br)C=C(C#N)C(=O)C(C)(C)C1 1857616299 QIMAIJUNIXIXKO-OAHLLOKOSA-N 353.191 3.274 50 1 FGGF C=C1C(=O)O[C@@H]2[C@@H]1C[C@@H]1O[C@]1(C)CC=C[C@](C)(OO)CCC[C@H](C)[C@H]2O 2356807770 YCVXVTQESRNCDE-WXOKESRISA-N 366.454 3.007 50 1 FGGF NNC(=O)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587077665 WSMJYBSJERQITG-QGZVFWFLSA-N 369.856 3.157 50 1 FGGF C[C@@H]1CC[C@H]2C(CO)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103183668 IFOMHSYMHBFAAX-IJADEAJPSA-N 350.333 3.041 50 1 FGGF CC(=O)O[C@@H]1C=C2COC[C@@H]2O[C@]2(C)CC[C@H](Br)C(C)(C)[C@H]12 2356801616 QSOACSMAQLDCDE-JLHDYFKBSA-N 373.287 3.232 50 1 FGGF C=C1CC[C@@H]2C(=C)C(=O)O[C@H]2/C=C(/C)C[C@@H]2C=C(CC[C@H]1OO)C(=O)O2 139407707 VTUGHLCKKNSTAF-HJGKJGDWSA-N 360.406 3.261 50 1 FGGF CN(C)CCSSCCCNC(=O)c1ccc(Cl)nc1Cl 618008180 TZZVGMPOUSARPJ-UHFFFAOYSA-N 368.355 3.451 50 1 FGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](Br)C=O)N1 587670446 KNADLQJSBVTYFK-SLOVDRIHSA-N 365.040 3.126 50 1 FGGF COC(=O)[C@@]1([C@@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 587498975 KRQBTUFXHAMZIL-QGHHPUGFSA-N 367.239 3.226 50 1 FGGF CC(C=O)=CCC[C@H](C)C1=CC[C@](C)(O)[C@H]1CC1=C(O)CC[C@@H](O)C1=O 2356454932 BFJUMKLBIUGBTH-RDDTUUHWSA-N 362.466 3.171 50 1 FGGF CC(C)(C(=O)Nc1ccccc1)c1ccc(S(=O)(=O)/C=C/C#N)cc1 73296227 LUWGZEKDWRXTMW-MKMNVTDBSA-N 354.431 3.414 50 1 FGGF COC(=O)c1ccc(CNC(=O)C[C@@]2(C)CC3(CCCCC3)OO2)cc1 49710958 LBMSLUDBQYSBBQ-IBGZPJMESA-N 361.438 3.293 50 1 FGGF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1ccc(N(C)CCCl)cc1)NCC2 962924921 OWOXCOMILOVYQR-HXUWFJFHSA-N 371.912 3.299 50 1 FGGF C[C@@H]1O[C@]23C[C@@H](c4ccc(C(F)(F)F)cc4)OC(=O)C2=C[C@@]1(C)OO3 96934026 ZHHRIFKTPFTONY-XSBRKMSKSA-N 356.296 3.455 50 1 FGGF CCCN1N=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Cl)C1=O 587499146 LFZICUSXESKPPO-IEBWSBKVSA-N 360.841 3.115 50 1 FGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(CCl)=CC2=O)N1 587682243 BXKILXGRNCHISF-GLEZIHRCSA-N 374.637 3.040 50 1 FGGF Cc1nc(-c2ccccc2)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 653905710 BJSPRJQEBAKAEA-GFMRDNFCSA-N 370.412 3.168 50 1 FGGF CN1CCN(c2ccc3nc([C@@H](Br)C(C)(C)F)[nH]c3c2)CC1 587087788 ULCMYZAVBLXIEM-CQSZACIVSA-N 369.282 3.499 50 1 FGGF N#Cc1cc(Br)c2[nH]c(-c3ccc4c(c3)C(=O)OC4=O)nc2c1 586907030 JFDMKROMWXJGBZ-UHFFFAOYSA-N 368.146 3.175 50 1 FGGF CO[C@]1(C=C(C)C[C@H]2C=C(CCC(C=O)=C(C)C)C(=O)O2)C=C(C)C(=O)O1 2356382172 OVTFNRUPJPIJDK-RXVVDRJESA-N 374.433 3.336 50 1 FGGF COC(=O)CCCCCCC(=O)N/N=C/c1ccc(N2CCCC2)cc1 95808673 KGVRDJZUSCCPHK-LTGZKZEYSA-N 359.470 3.251 50 1 FGGF CN(C)CCSSCCNC(=O)c1ccc(Br)s1 618008201 BWWRVOSVAPGYSI-UHFFFAOYSA-N 369.375 3.183 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)OCCO3)O2 587371462 FQSWHQHKAWCJNI-LJQANCHMSA-N 359.809 3.448 50 1 FGGF COC(=O)[C@H](Cl)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688735 NRKODOFJQVMJHV-ATMGAIRJSA-N 364.642 3.118 50 1 FGGF N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 40394279 YNQJOYPWARSHGJ-ONNFQVAWSA-N 359.725 3.205 50 1 FGGF CC(C)(NC(=O)CCl)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587009515 JEEOVFOUROJUJS-UHFFFAOYSA-N 370.709 3.202 50 1 FGGF COc1ccc(/C=N/NC(=O)CCn2ccc3ccccc32)cc1OC 115598344 ZNANGDTZPAZHGE-KGENOOAVSA-N 351.406 3.199 50 1 FGGF CC=C(C=O)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C[C@H]1C(=O)OC 2356578841 IXZVIOVJBGVURY-SCTDSRPQSA-N 352.434 3.021 50 1 FGGF CC[C@H]1CN2CCc3c([nH]c4ccccc34)C2=CC1=C(C=O)C(=O)OC 13408780 ZGSKSGGZSIKMEC-ZDUSSCGKSA-N 350.418 3.075 50 1 FGGF biogenic CCCc1c(O)ccc2c1O[C@]1(CCOC[C@@H]1Br)CC2=O 587458062 FULNNYQUFXWDEV-GOEBONIOSA-N 355.228 3.233 50 1 FGGF O=C(CBr)NCCCCCCCC(=O)Nc1ccccc1 13587787 NMTZCUZKQIVIGB-UHFFFAOYSA-N 355.276 3.477 50 1 FGGF C[C@@H]1C(=O)O[C@H]2C[C@H]1CC[C@]1(C)O[C@@H]1CC[C@](C)(OO)C=CC[C@]2(C)O 2356645789 FHEAMGLYVLIVOJ-LWZJPHJSSA-N 368.470 3.231 50 1 FGGF CCNc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(OC)cc(OC)c1 34043592 KYVYVJHTEDBPJF-LJQANCHMSA-N 351.406 3.354 50 1 FGGF C[C@@H](CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O)C(=O)/C=C/C(C)(C)OO 44265009 BMBWXRCJBUBRCF-OHSQXIOZSA-N 370.486 3.035 50 1 FGGF CN(C)C[C@@H](Br)c1ccc(I)cc1 38543199 PUCZGSQGHORUQP-SNVBAGLBSA-N 354.029 3.289 50 1 FGGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1nccs1 95808873 USMRZDJTLRULLV-DEDYPNTBSA-N 374.466 3.278 50 1 FGGF Cc1nonc1[C@@]1(CBr)c2ccc(F)cc2C[C@@H]2CCCN21 963086726 BXUVLBDMUQPIEZ-XJKSGUPXSA-N 366.234 3.176 50 1 FGGF O=C(NNc1nc2cccc(F)c2n2cccc12)c1cnc2ccccc2n1 28640945 IXKHLSIXKKREFN-UHFFFAOYSA-N 372.363 3.327 50 1 FGGF COc1ccccc1C(=O)N/N=C/c1ccc(Br)c(F)c1 96909389 DPXZDXUMPPKLMU-GIJQJNRQSA-N 351.175 3.361 50 1 FGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(NC(N)=O)cc1)[C@@H](C2)C3=O 587419780 ZNAGBIAESHVTGP-LIRRHRJNSA-N 372.808 3.068 50 1 FGGF O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H](Cl)CCl 587276209 JZBVHJKFIGZDBG-LURJTMIESA-N 352.999 3.112 50 1 FGGF CC(=O)OC[C@]12CCC(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2 71316386 GXEDTDHJFWCROZ-ORYQWCPZSA-N 355.434 3.300 50 1 FGGF COc1cc2c3c(c1)O[C@@](CCl)(c1c[nH]c4ncccc14)[C@@H](C2)C3=O 587423617 UXVKFYJAMZEUPK-ORAYPTAESA-N 354.793 3.453 50 1 FGGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC)c1ccc(Cl)c(B(O)O)c1 963233824 DHMKZPGNBVEBAZ-QVKFZJNVSA-N 371.717 3.330 50 1 FGGF O=C(N/N=C/c1cccc(OC(=O)c2ccco2)c1)c1ccc(F)cc1 993588 LCCZBUPTAWMEEA-CIAFOILYSA-N 352.321 3.402 50 3 FGGF CC=C(C=O)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC 2356590447 NTVLUSJWJRSPSM-LPHOPBHVSA-N 350.418 3.289 50 1 FGGF Oc1ccc(CCn2nnnc2CCCC[C@H]2CCSS2)cc1O 28823708 BLIQFCIYUIJNFZ-ZDUSSCGKSA-N 366.512 3.194 50 1 FGGF Cc1ccccc1OS(=O)(=O)c1cccc(NC(=O)NCCCl)c1 95556107 BFDKRWGIBHBJLE-UHFFFAOYSA-N 368.842 3.123 50 1 FGGF C#C/C=C\C[C@@H](Cl)[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)C=C[C@@H](CC)O1 238767142 RLYHYXSICKPCGG-QGZJZOJASA-N 368.857 3.160 50 1 FGGF CCCC[C@H](Br)[C@@H](O)C(Br)Br 86000718 PIQWATDDRYMLFY-NTSWFWBYSA-N 352.892 3.417 50 1 FGGF biogenic Cc1ccc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 587188135 OMWBTXDIGGYZRJ-GDNBJRDFSA-N 366.446 3.186 50 1 FGGF C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@@H]2[C@@]1(C)O 238745103 NPRJCRQECPZJIM-LDLNYTDVSA-N 366.454 3.199 50 1 FGGF C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)C/C=C\[C@@](C)(OO)CCC2=O 238765943 WPTRRIXCZXIQKN-WTNUAVCBSA-N 364.438 3.360 50 1 FGGF Cc1[nH]c2ccccc2c1CC(=O)NCCSSCCN(C)C 618007852 KUIIQNVIJASEKC-UHFFFAOYSA-N 351.541 3.078 50 1 FGGF Cn1nc(-c2ccccc2)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(C#N)cc1 1772579852 PXYGTFJTAMFKLK-KRWDZBQOSA-N 353.385 3.177 50 1 FGGF C=C(CCCC(C)=O)[C@@H](C(=O)O)[C@@H](CC=O)C(C=O)=C1C=CC(C)(C)O1 2356441368 PBCDWCPMWSNXJT-MAUKXSAKSA-N 362.422 3.026 50 1 FGGF C[C@](Cl)(C=CBr)[C@@H]1C[C@@H](Br)[C@](C)(O)CO1 2356522136 XIOPKILEHGQSHY-XFWSIPNHSA-N 362.489 3.196 50 1 FGGF C=C(c1ccccc1)[C@@H]1COC2(CCC(O)(CC(=O)OCC)CC2)OO1 43482077 AAOHLCLYDAWUPU-KKXNLOMOSA-N 362.422 3.001 50 1 FGGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCCCl)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103194240 GUUDTKFWIJHYMY-QUKHICECSA-N 374.861 3.163 50 1 FGGF Cn1ccnc1[C@@]1(CCl)NC2(CC2)Cc2ccc(Br)cc21 961744730 AKQBPHPSBBPTOV-INIZCTEOSA-N 366.690 3.343 50 1 FGGF COc1ccc(/C=C(\C#N)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O 40584787 WLCGGSJKXOSYME-VGOFMYFVSA-N 369.373 3.216 50 1 FGGF Cc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1643059 HASDMVCKRVYYBB-UHFFFAOYSA-N 373.356 3.029 50 1 FGGF O=[P@@](CCCCN=C=S)(OC[C@@H]1CCCO1)OC[C@H]1CCCO1 1857743886 YMNKGNXMBQVUHE-YEZVWNJWSA-N 363.416 3.454 50 1 FGGF CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@]2(C)C[S@@](=O)c1ccccc1 299810613 OEFDWGOFZFVNPW-QWGRNSLESA-N 352.452 3.005 50 1 FGGF CC(C)[C@@]12C=C3[C@@H](O)C[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@]3(CC1)OO2 473090273 NVIRVAAOVXZOTN-LUGRNRNJSA-N 350.455 3.464 50 1 FGGF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 587938765 ZVAAMVQBQUGWKV-HXUWFJFHSA-N 372.428 3.355 50 1 FGGF CC(=O)N1c2ccc([C@]3(CCl)NCCc4ccc(O)cc43)cc2C[C@@H]1C 963343836 XCNDGONSUOTTIG-ZSEKCTLFSA-N 370.880 3.318 50 1 FGGF C/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)c2cccnc2)cc1 13108459 REEDYGNENBBJRM-QRVIBDJDSA-N 362.389 3.389 50 3 FGGF CCOc1cc(/C(=C/C#N)c2ccc(S(C)(=O)=O)cc2)ccc1OC 84544593 GVUSQUVPOHOCQF-GZTJUZNOSA-N 357.431 3.453 50 1 FGGF C=C(C=O)[C@@H]1Oc2ccc([C@@H](C)OC(=O)/C(C)=C\C)cc2[C@H]1OC(C)=O 238767289 XXCQISRHXYIMSQ-VQJRATAHSA-N 358.390 3.377 50 1 FGGF Cc1ccc(/C=C(/C#N)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 587187919 NCUVCYRAPPOKJF-PTNGSMBKSA-N 366.446 3.186 50 1 FGGF CCOCCOC(=O)/C(C#N)=C(\NCc1ccc2ncccc2c1)C(C)C 103201800 RBTGSQONKUWEPK-ZZEZOPTASA-N 367.449 3.338 50 1 FGGF COc1ccc(Cl)cc1C#Cc1ccc2nc(CCl)cc(=O)n2c1 587912662 MREWZDBDRSSXTC-UHFFFAOYSA-N 359.212 3.495 50 1 FGGF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)c2ccccc2CC[C@@H]1Cl 963473852 UBCLVRXVKNLDGS-QRFRQXIXSA-N 357.837 3.097 50 1 FGGF CCCC(=O)OCOC(=O)N(C)/N=N/c1ccc(C(=O)OCC)cc1 1655133 QYMCCKOCTMXKQL-ISLYRVAYSA-N 351.359 3.231 50 1 FGGF COc1ccc(C(=O)NN(C(=O)c2ccc(OC)cc2)C(C)(C)C)cc1 34095176 MLBDIFUIWKHVBD-UHFFFAOYSA-N 356.422 3.290 50 1 FGGF O=C(N/N=C/c1cccc2c(CO)cccc12)c1ccc(O)c(Cl)c1 13492689 PFDDUSSVSBTSJF-UFFVCSGVSA-N 354.793 3.455 50 1 FGGF CN1C(=O)[C@@H](/C=N/NC(=O)c2cc3ccccc3cc2O)c2ccccc21 169690149 CROKRDRVAOZYHS-QQZPLFJDSA-N 359.385 3.021 50 1 FGGF Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 36384365 DVENRFXFSVYJAQ-VXLYETTFSA-N 366.333 3.028 50 3 FGGF O=C(N/N=C/c1cc2ccccc2[nH]1)c1cc(Br)ccc1O 95559064 CEJNIGLBRLUIPZ-GIJQJNRQSA-N 358.195 3.400 50 1 FGGF CCCc1c(O)ccc2c1O[C@](C)([C@@H](NC(=O)CCl)C(C)C)CC2=O 587461914 VCULEJWXZQPYHM-OALUTQOASA-N 367.873 3.448 50 1 FGGF CCOC(=O)[C@H](Cl)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587688757 NVXSFABFWKGVOT-KEMBBXRSSA-N 364.642 3.334 50 1 FGGF COc1cc(C(=O)N/N=C/c2ccc(OC(F)(F)F)cc2)ccc1O 13864051 VLVVMISLIIBXHK-AWQFTUOYSA-N 354.284 3.063 50 1 FGGF COc1cc2c3c(c1)O[C@@](CCl)(c1c[nH]c4ccncc14)[C@@H](C2)C3=O 587422709 RNIILOKJUYYDCO-ORAYPTAESA-N 354.793 3.453 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@H]3CCCC(=O)O3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105434 OZBWXPSVBHLGSQ-BUUXXRKUSA-N 366.454 3.333 50 1 FGGF C=C(C=O)[C@H]1Oc2ccc([C@H](C)OC(C)=O)cc2[C@H]1OC(=O)CC(C)C 238739901 XQHWUPXUEFPMSI-CJMONDIMSA-N 360.406 3.457 50 1 FGGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccoc1 95809027 AZZRZTVJFMMQMR-DEDYPNTBSA-N 357.410 3.415 50 1 FGGF O=C(O)c1cccc2c(CN3C(=O)c4ccccc4C3=O)c(CCl)[nH]c12 587638819 QYSKVXJYEIQFFU-UHFFFAOYSA-N 368.776 3.401 50 1 FGGF COC(=O)[C@]1([C@@H](Cl)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417713 OVXCKEGLQYXWMT-WNYOCNMUSA-N 372.804 3.335 50 1 FGGF O=C(N/N=C/c1cccnc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 5176112 BMIQIQABNDIISN-YDZHTSKRSA-N 362.364 3.237 50 3 FGGF CO[C@@]1(C=C(C)C[C@@H]2C=C(CCC(C=O)=C(C)C)C(=O)O2)C=C(C)C(=O)O1 2356382173 OVTFNRUPJPIJDK-WIYYLYMNSA-N 374.433 3.336 50 1 FGGF Cc1ccc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)c([N+](=O)[O-])n1 27422616 PBCLOMIIPLWFSC-UHFFFAOYSA-N 374.736 3.363 50 1 FGGF CO[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H](C)/C1=C/CN1CCOCC1 194861125 BPOIEKHIEXKCJB-WBIQVCAMSA-N 371.594 3.417 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)CC(CBr)(CBr)O2 587375470 SRYKQFPIVARTFH-UHFFFAOYSA-N 363.049 3.071 50 1 FGGF O=C(N/N=C1/c2cc(Br)cnc2-n2cccc21)c1ccccc1 1857767015 YJQHQXSTYVYYBU-HKWRFOASSA-N 367.206 3.131 50 1 FGGF C[C@@H]1C(=O)O[C@H]2C[C@H]1CC[C@]1(C)O[C@@H]1CC[C@](C)(OO)C=CC[C@@]2(C)O 2356645791 FHEAMGLYVLIVOJ-OHRRTRFSSA-N 368.470 3.231 50 1 FGGF CC(C)[C@]1([C@H](C)Br)NCCc2ccc(C(=O)N(C)C)cc21 962931376 BJIACRMJCZHYKT-YVEFUNNKSA-N 353.304 3.169 50 1 FGGF COc1cccc2c(=O)c3c(O)cc(OC[C@@](C)(O)CCl)cc3oc12 140052728 JCSFDKMQMKCXPL-SFHVURJKSA-N 364.781 3.029 50 1 FGGF O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1 1857544773 PVEMDDFCXVUNBW-UHFFFAOYSA-N 370.405 3.116 50 1 FGGF Nc1ccc(C2=NN(C(=O)CCl)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 653726368 DWJBICFPBCKZIW-INIZCTEOSA-N 358.785 3.094 50 1 FGGF CCOc1ccc(N2C(=O)/C(=N/c3ccccc3O)[C@H](Cl)C2=O)cc1 169690589 WPLJPVGXESVGPG-QOBDKFOYSA-N 358.781 3.044 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](O)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 43641136 QPGCYSREBONXHE-ZLXJMDFFSA-N 352.349 3.119 50 1 FGGF O=C1OC(=O)c2cc(NS(=O)(=O)c3cccs3)cc3cccc1c23 95584220 XWQZTNNHPINMCX-UHFFFAOYSA-N 359.384 3.013 50 1 FGGF COc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1OCCCCl 587369309 ZSSQCNOYJKAVRB-UHFFFAOYSA-N 361.785 3.119 50 1 FGGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cccc(O)c1 95808608 QOOBTGLYHJOGEB-KGENOOAVSA-N 369.421 3.137 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@](OO)(C(F)(F)F)O[C@@H]3O[C@@]4(C)C[C@@H]1[C@]32OO4 1857533706 LQNLQRJEVGOEKA-DGOVWHBRSA-N 354.321 3.226 50 1 FGGF CN(C(=O)N(CC/C=N/C(=O)N(CCCl)N=O)N=O)C1CCCCC1 40465100 SSWGKCUXVNIALR-CXUHLZMHSA-N 374.829 3.157 50 1 FGGF O=C(O)CCCCCCC(=O)N/N=C/c1ccc(Br)s1 95809742 KZRSCSZUJXIKQI-OQLLNIDSSA-N 361.261 3.386 50 1 FGGF COc1cc(/C=C/C=N/NC(=O)c2ccc3nc(C)[nH]c3c2)ccc1O 1772633285 OSARONAWLGWILS-LHWUAALPSA-N 350.378 3.015 50 1 FGGF Cc1nnsc1C(=O)NN(C(=O)c1ccccc1Cl)C(C)(C)C 103206563 RMJDJQHAARBABS-UHFFFAOYSA-N 352.847 3.086 50 1 FGGF COc1cc2c3c(c1)O[C@@](CBr)(C1CCOCC1)[C@@H](C2)C3=O 587412986 LGAPPUYZAAFZDN-GUYCJALGSA-N 367.239 3.003 50 1 FGGF COc1ccc([C@@H]2Oc3c(OC)cc(C=CC=O)cc3[C@@H]2CO)cc1OC 2356481036 AXBCRVXFVXYBFX-JXFKEZNVSA-N 370.401 3.134 50 1 FGGF COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(C=O)=C2 1909398 KFOIUGBXWJSLJK-LJQANCHMSA-N 356.374 3.437 50 1 FGGF Cc1nccc2[nH]c([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)nc12 587009796 TWTCWMRGKOLJMW-INIZCTEOSA-N 367.840 3.386 50 1 FGGF O=C(c1ccc(OCCBr)c([N+](=O)[O-])c1)C(Cl)Cl 1857653234 COYNOTZAWHKYIS-UHFFFAOYSA-N 356.987 3.355 50 1 FGGF Oc1ccc2c3c1O[C@H]1[C@H](N=C=S)CC[C@H]4[C@@H](C2)N(CC2CC2)CC[C@@]341 58538514 UZLGTUXGAQFLIF-FSWWCVKVSA-N 368.502 3.313 50 1 FGGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCl)c1c(C)noc1C 963047376 OPXJDRBIYIILJI-IBGZPJMESA-N 357.841 3.476 50 1 FGGF CC(C=CC=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@H](O)[C@@]1(C)CO 2356587410 JPMWBEHLCOISNJ-YGFCNAKASA-N 360.494 3.223 50 1 FGGF COc1ccc2c3c([nH]c2c1)[C@H]1C[C@H]2C(C=O)=C(C)OC[C@@H]2[C@@H](C3)N1C 2356692896 ONBPJDNLJKBJSV-GIPAHHNCSA-N 352.434 3.213 50 1 FGGF Cc1c(Br)cnc2[nH]c(-c3ccc4c(c3)C(=O)OC4=O)nc12 586907246 KZJXWNQRBGBOHI-UHFFFAOYSA-N 358.151 3.006 50 1 FGGF Cc1cc(CO[P@](N)(=O)N(CCCl)CCCl)ccc1[N+](=O)[O-] 102402644 YVZXKRFANTWCEF-QFIPXVFZSA-N 370.173 3.266 50 1 FGGF CC(C=CC=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@H](O)[C@]1(C)C(=O)O 2356661119 YHMYMBINWXFRSP-XMMAIYDSSA-N 374.477 3.315 50 1 FGGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(N)cc1)[C@@H](C2)C3=O 587411915 GHCFVXYENZPXQC-KBXCAEBGSA-N 374.234 3.315 50 1 FGGF COc1cc(C(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)cc(OC)c1OC 40763207 HXBMJPXZIHYSIB-MKMNVTDBSA-N 367.357 3.231 50 1 FGGF O=C(c1ccncc1)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 43649788 QZTQXDOICILZLA-UHFFFAOYSA-N 370.449 3.145 50 1 FGGF CC(=O)OC[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689561 UMTVHJAWZCAVSN-XLKFXECMSA-N 364.642 3.120 50 1 FGGF Cc1csc(S(=O)(=O)N(N)C(=O)c2ccc(Cl)cc2Cl)c1 28356583 ULBZJWURPIMPNJ-UHFFFAOYSA-N 365.263 3.068 50 1 FGGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C(=O)OCC)[C@@H](Cl)C(C)=O 963229544 NSCUFJBZLRNOKD-FMEYXAORSA-N 351.874 3.298 50 1 FGGF O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cccs1 95808343 GGJYBJCRDNMHBN-CPNJWEJPSA-N 359.451 3.493 50 1 FGGF C=C(CCCC(C)=O)[C@@H](C(=O)O)[C@H](CC=O)C(C=O)=C1C=CC(C)(C)O1 2356441367 PBCDWCPMWSNXJT-CRAIPNDOSA-N 362.422 3.026 50 1 FGGF CCC(=O)Nc1cccc(NC(=O)CCSSCCN(C)C)c1 618007749 NVWAFJNXAJEFJI-UHFFFAOYSA-N 355.529 3.307 50 1 FGGF Oc1nc(O)c2cc(CCBr)c(-c3ccc(F)cc3)nc2n1 587368758 WJTKDXCBVRZYOW-UHFFFAOYSA-N 364.174 3.180 50 1 FGGF CCOC(=O)C(=O)[C@@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495803 FZVMFEHMCLWLBI-IEBWSBKVSA-N 364.825 3.029 50 1 FGGF COc1ccc2c3c([nH]c2c1)[C@H]1C[C@@H]2C(C=O)=C(C)OC[C@@H]2[C@@H](C3)N1C 2356692897 ONBPJDNLJKBJSV-IXMYUCAJSA-N 352.434 3.213 50 1 FGGF COC(C)(C)[C@H](Br)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586970545 CHTZBEWSPUQNJY-GFCCVEGCSA-N 354.248 3.126 50 1 FGGF CCCN1N=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Cl)C1=O 587499127 LFZICUSXESKPPO-HKUYNNGSSA-N 360.841 3.115 50 1 FGGF C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)C2CC2)c1 13108452 VRKZNXKWDXYFIF-CIAFOILYSA-N 366.377 3.097 50 3 FGGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 103175362 OCEUVHLZANAROC-ZFWWWQNUSA-N 360.200 3.187 50 1 FGGF CCO/C(C)=C(/C#N)c1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 587923811 PXAPPYAEECCDJG-KAMYIIQDSA-N 363.464 3.473 50 1 FGGF NNC(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587032625 LJSSIMNPJNGSAK-UHFFFAOYSA-N 363.446 3.174 50 1 FGGF CN1CCc2cn(C)nc2[C@]1(CBr)c1sccc1Cl 963956589 YUZJYGQQWWACQT-CYBMUJFWSA-N 360.708 3.261 50 1 FGGF CC[C@@H](OCCCCNCCSS(=O)(=O)O)C1CCCCC1 26821307 SWIWTGCCJDTXLT-OAHLLOKOSA-N 353.550 3.268 50 1 FGGF C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1N(O)C(=O)c1ccccc1 653746720 VVZUETBQFSWPPM-BPLDGKMQSA-N 364.518 3.000 50 1 FGGF Cc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)NN(C)C)cccc2-3)s1 13588747 MNMVVTLMYIPISW-UHFFFAOYSA-N 367.434 3.256 50 1 FGGF N#CC(C#N)=Cc1[nH]ccc1CN1CCN(c2ccc(Cl)cc2)CC1 36216457 RCACIEKJQOIDQV-UHFFFAOYSA-N 351.841 3.421 50 1 FGGF COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C=O)=C2 3964627 KFOIUGBXWJSLJK-IBGZPJMESA-N 356.374 3.437 50 1 FGGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cccnc1 95808601 IISAMUCAXDBKJE-PXLXIMEGSA-N 368.437 3.217 50 1 FGGF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1ccnc(CCl)n1 587941895 YOBQNYXSYPIOEK-JTQLQIEISA-N 354.794 3.141 50 1 FGGF C/C=C(\C=O)[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC 104545572 NTVLUSJWJRSPSM-KTDSXIFVSA-N 350.418 3.289 50 1 FGGF Cc1cc(C)c(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)c(C)c1 1772598401 XYPPMUOYRUKUMM-HYARGMPZSA-N 353.466 3.316 50 1 FGGF CN1C(=O)CN(CCc2ccccc2CCl)c2ccc([N+](=O)[O-])cc21 72108094 ZRBWYAMRTALAHO-UHFFFAOYSA-N 359.813 3.359 50 1 FGGF O=C(O)CCCCCCC(=O)N/N=C/c1cccc(Br)c1 95808454 OTSJEUXUANMBQH-GZTJUZNOSA-N 355.232 3.324 50 1 FGGF Cc1ccnc2c1CCN[C@]2(CBr)c1ccc(N(C)C)cc1 963085977 IIFSKPKLCAWQII-GOSISDBHSA-N 360.299 3.240 50 1 FGGF COC(=O)c1ccc(CNC(=O)C[C@]2(C)CC3(CCCCC3)OO2)cc1 49710960 LBMSLUDBQYSBBQ-LJQANCHMSA-N 361.438 3.293 50 1 FGGF CCCC[C@@H](Br)[C@@H](O)C(Br)Br 86000719 PIQWATDDRYMLFY-PHDIDXHHSA-N 352.892 3.417 50 1 FGGF biogenic C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103187405 HUDNDTLQQYHSEW-LPBFZAKBSA-N 370.442 3.076 50 1 FGGF Cc1ccc(S(=O)(=O)N(CCCl)c2ccc(C(=O)O)cc2)cc1 84614712 FFZOPWYTOQMFNT-UHFFFAOYSA-N 353.827 3.127 50 1 FGGF CC(=O)NCCCc1ccc([C@@]2(CCl)NCCc3c(C)ccnc32)cc1 963072776 VEUSREMZQONJDB-OAQYLSRUSA-N 371.912 3.087 50 1 FGGF O=C(N/N=C/c1c(O)cc(O)cc1O)c1sc2ccccc2c1Cl 49072403 HUUZCLYNQUWGLB-CNHKJKLMSA-N 362.794 3.435 50 1 FGGF CC(C)[C@@H](CCl)NC(=O)c1cccc(C(=O)N[C@@H](CCl)C(C)C)n1 1631703 VKKAHAQVNLGYOR-GASCZTMLSA-N 374.312 3.068 50 1 FGGF COC(=O)[C@]1([C@@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 587498972 KRQBTUFXHAMZIL-BMLIUANNSA-N 367.239 3.226 50 1 FGGF Oc1ccc2c3c1O[C@H]1[C@H](N=C=S)CC[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]341 101154697 UZLGTUXGAQFLIF-VPIOKSTHSA-N 368.502 3.313 50 1 FGGF O=C(NO)c1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)cc1 95808587 ZAHHDZQVQXURDV-HYARGMPZSA-N 359.385 3.237 50 1 FGGF COC(=O)c1cc2[nH]c([C@@H](Br)C(C)(C)OC)nc2cc1OC 586970693 DQALGDPWIUECOI-GFCCVEGCSA-N 371.231 3.219 50 1 FGGF C[C@H](c1ccc(CBr)cc1)c1nc2c(O)nc(S)nc2[nH]1 586973407 JVRTZDLHUVRMHM-SSDOTTSWSA-N 365.256 3.394 50 1 FGGF C=CCC1=CC=C/C(=C\NNC(=O)c2ccccc2Br)C1=O 13125707 WEHVBGLCUBFQJQ-ACCUITESSA-N 359.223 3.209 50 3 FGGF C=C1C(=O)O[C@@H]2C[C@](C)(O)CCC[C@](C)(OO)C=CC[C@]3(C)O[C@@H]3C[C@H]12 2356824282 GUFZVUQDMUFCHU-QPIKJRODSA-N 366.454 3.151 50 1 FGGF COc1ccc2c(Cl)c(C(=O)NNC3=CC(=O)CCC3)sc2c1 13138366 VGURMKWCCZXWDC-UHFFFAOYSA-N 350.827 3.435 50 1 FGGF COC(=O)C1=CN(c2ccc(C)cc2)C(N)=C(C#N)[C@H]1c1ccccc1F 95600057 HWXZRUBXRFHVDE-LJQANCHMSA-N 363.392 3.489 50 3 FGGF CN(C)CCSSCCCNC(=O)c1ccc(Br)o1 618012533 OBDLQSVSSBLQAS-UHFFFAOYSA-N 367.334 3.105 50 1 FGGF CC(C)[C@@]1([C@H](C)Br)NCCc2ccc(C(=O)N(C)C)cc21 962931374 BJIACRMJCZHYKT-SJCJKPOMSA-N 353.304 3.169 50 1 FGGF CCN(CC)C(=O)OCC[C@@H]1CCC[C@@H]2CC[C@]3(C)OO[C@@]12[C@H](OC)O3 101267465 VYFXZNNVPSHMRZ-NZKYLMMGSA-N 371.474 3.471 50 1 FGGF Cc1onc(-c2ccccc2)c1C(=O)NCCSSCCN(C)C 618008239 VVRBRCRHHXSWPE-UHFFFAOYSA-N 365.524 3.323 50 1 FGGF C=C1[C@@H](CC[C@@H]2CC(=O)NC2=O)[C@@]2(C)C[C@@H](Cl)CC(C)(C)[C@H]2C[C@H]1O 2356859100 SRDHHMUVZQNDOM-LZMFIQLBSA-N 367.917 3.416 50 1 FGGF CCOCCOC(=O)/C(C#N)=C(/CC)NCc1ccc2ccccc2n1 103200623 FOWXQAGQZDJWHZ-ZCXUNETKSA-N 353.422 3.092 50 1 FGGF COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1 38824645 ZTZGBNXRPRXABB-LJQANCHMSA-N 361.401 3.414 50 1 FGGF N#CC1(c2ccccc2)CCN(Cc2oc(CCl)cc(=O)c2O)CC1 96922493 BXNCDQJZIMAWRQ-UHFFFAOYSA-N 358.825 3.142 50 1 FGGF COC(=O)[C@@]1([C@H](Cl)c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417712 OVXCKEGLQYXWMT-LXGCGDOSSA-N 372.804 3.335 50 1 FGGF CCOC(=O)[C@H](Cl)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587687734 HLSQGXIEJGAGAI-KEMBBXRSSA-N 364.642 3.334 50 1 FGGF COCCCCn1c(=O)cc(Nc2ccc(C)c([C@H](C)Cl)c2)[nH]c1=O 13522372 TVNDMYVTQXXFGL-ZDUSSCGKSA-N 365.861 3.315 50 1 FGGF CC(=O)OC[C@H](Br)[C@]1(C)CC[C@@H](C(C)(C)Br)O1 31861591 MFOZEGIDWYEJRE-NHCYSSNCSA-N 372.097 3.424 50 1 FGGF O=C(CCCCl)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587369083 UBPTVAYCPRSZML-UHFFFAOYSA-N 358.785 3.061 50 1 FGGF CC(=O)OC[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689560 UMTVHJAWZCAVSN-RTHLEPHNSA-N 364.642 3.120 50 1 FGGF CCCc1c(O)ccc2c1O[C@](C(F)F)([C@H](Cl)C(=O)OC)CC2=O 587464444 QMUUNMYRCBWTQH-CJNGLKHVSA-N 362.756 3.094 50 1 FGGF C[C@H]1C/C(=N\NC(=O)Nc2ccccc2)Nc2cc([N+](=O)[O-])ccc2N1 103179014 LEAAHESSCKZFHD-NSHDSACASA-N 354.370 3.346 50 1 FGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](Br)C=O)N1 587670367 KNADLQJSBVTYFK-GFJAWQGPSA-N 365.040 3.126 50 1 FGGF O=CC1=COc2cc(Cl)ccc2[C@]12c1nc(Cl)cc3c1CCN2C3 963466554 DHLFACOKBOSXEU-SFHVURJKSA-N 359.212 3.479 50 1 FGGF Cc1cc(CO[P@@](N)(=O)N(CCCl)CCCl)ccc1[N+](=O)[O-] 64548556 YVZXKRFANTWCEF-JOCHJYFZSA-N 370.173 3.266 50 1 FGGF N[C@H](CCl)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587011719 UGOWHNXEHUUVAC-ZCFIWIBFSA-N 358.545 3.463 50 1 FGGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC=C[C@@](C)(OO)CC[C@@H]2O 2356644819 UVJNJQSZPMSYRE-BRMIGGSTSA-N 366.454 3.151 50 1 FGGF COC(=O)C[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689470 SUENCXOKSJNTNM-CLAHSXSESA-N 364.642 3.120 50 1 FGGF CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(N=C=S)cc2C1=O 13781504 UYPWOMKFYXODIW-UHFFFAOYSA-N 370.434 3.148 50 1 FGGF CN(C)CCSSCCNC(=O)c1cccc(OC(F)(F)F)c1 618009254 UOAKNQPWRUHOQG-UHFFFAOYSA-N 368.446 3.258 50 1 FGGF COC[C@@]1(CCl)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963170243 IUCFVNXKZVHUAR-TVQRCGJNSA-N 372.170 3.038 50 1 FGGF C=C(CC(=O)C=C(C)C)[C@@H](COc1ccc(C(=O)OC)cc1OC)OO 85999512 MOOXEOIDEFSGSX-GOSISDBHSA-N 364.394 3.200 50 1 FGGF biogenic O=C(N/N=C\C(Br)=C/c1ccccc1)c1[nH]nc2c1CCC2 33340907 YOXLOCCSYKQCIW-ZTFBWAHWSA-N 359.227 3.050 50 1 FGGF Cc1ccc2oc(=O)cc(CC(=O)N/N=C/c3cccc(Cl)c3)c2c1 40918204 SWXYSMMMYHQOMV-SRZZPIQSSA-N 354.793 3.448 50 1 FGGF NC(=O)c1coc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587498856 PXRRAFAJJLGKPZ-LJQANCHMSA-N 359.809 3.357 50 1 FGGF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)c2ccccc2CC[C@@H]1Cl 963473855 UBCLVRXVKNLDGS-XKGZKEIXSA-N 357.837 3.097 50 1 FGGF CCC[C@@H](O)CC=C(Cl)[C@@H](O)C(Br)Br 2356800921 RGGZKQZEEGQAPA-HTRCEHHLSA-N 350.478 3.137 50 1 FGGF C[C@@H](Cl)C(=O)NCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986966 WHJDPDGHWUFJDI-SNVBAGLBSA-N 366.804 3.395 50 1 FGGF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)c2ccccc2CC[C@H]1Cl 963473846 UBCLVRXVKNLDGS-HQRMLTQVSA-N 357.837 3.097 50 1 FGGF O=C(N/N=C/c1c(F)cc(F)cc1F)c1[nH]nc2c1Cc1cc(F)ccc1-2 1857552209 OQZVDNDKOIFRDA-HCGXMYGOSA-N 374.297 3.301 50 1 FGGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCCCl)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103194244 GUUDTKFWIJHYMY-XKROTHGNSA-N 374.861 3.163 50 1 FGGF COc1cccc(/C=N/N(C(=O)C(F)(F)F)c2ccc(CO)cc2C)c1 96928714 QFIXQLCMQZNPSN-LSHDLFTRSA-N 366.339 3.425 50 1 FGGF COC(=O)C[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689471 SUENCXOKSJNTNM-RMLUDKJBSA-N 364.642 3.120 50 1 FGGF C=CCNC(=S)NNC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 103200041 QSWVQURHCSGEJC-CYBMUJFWSA-N 357.454 3.278 50 1 FGGF COc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC 43065721 PSHJWNDNEDZFRD-GIJQJNRQSA-N 363.757 3.029 50 1 FGGF N[C@@H](CP(=O)(O)O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586921404 FDHMUJQKAYCICS-LURJTMIESA-N 367.236 3.398 50 1 FGGF CCOc1ccc2c(NNC(=O)c3cnccn3)c3c(nc2c1)CCCC3 71341051 MKRBSSQZZJBYMP-UHFFFAOYSA-N 363.421 3.059 50 1 FGGF CN(C)CCSSCCNC(=O)c1cc(Cl)cc(Cl)c1N 618009314 VJMDFUFZLBZEOI-UHFFFAOYSA-N 368.355 3.248 50 1 FGGF C[C@@]12CCC[C@]3(COC1=O)C1=C(C=C[C@@H]23)C(=O)C=C(O[Si](C)(C)C)C1=O 653762408 YABCEPWBYFNGPD-RYGJVYDSSA-N 372.493 3.090 50 1 FGGF COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC=C[C@]([C@H](C)Cl)(C1)[C@H]23 2356424756 UNQYUBCRSGGIMW-MXTMVPOJSA-N 370.880 3.439 50 1 FGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(CCl)=CC2=O)N1 587687292 ZQFPDDUGBDFFND-ANRSDYALSA-N 374.637 3.040 50 1 FGGF Cn1cccc1/C=N\NC(=O)c1cnc2c(C(F)(F)F)cccc2c1O 73138945 VQKSJEWDJCRXFY-UYOCIXKTSA-N 362.311 3.062 50 1 FGGF COC(=O)c1cccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587417392 MDWKGFWECAXIOZ-FOIQADDNSA-N 372.804 3.364 50 1 FGGF CC(C=CC=O)=C1C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@](C)(C(=O)O)[C@@H](O)CC[C@]21C 2356661121 YHMYMBINWXFRSP-ZHTGMKMRSA-N 374.477 3.315 50 1 FGGF CCOC(=O)C[C@]1([C@@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 587374162 OITXDHVJTKQDQL-HWPZZCPQSA-N 370.243 3.018 50 1 FGGF O=C1C[C@@]2(CCOC[C@@H]2Br)Oc2c1ccc1c2CCCC1 587500506 XIYBACYPABNRFS-DOTOQJQBSA-N 351.240 3.453 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)[C@H](C)Cl)(c1ccccc1)O2 587370595 ANLVSJYFMUSZSZ-RNODOKPDSA-N 372.852 3.181 50 1 FGGF CCOC(=O)[C@H](Cl)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587687733 HLSQGXIEJGAGAI-HAGUPOPPSA-N 364.642 3.334 50 1 FGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CCl)OCC2=O)N1 587686363 UOPUAVVTONEVOK-AYVTZFPOSA-N 374.637 3.040 50 1 FGGF COc1cc(/C=C(\C#N)C(N)=O)cc(CSCc2ccccc2)c1O 13833840 KQOKTNOLEYYOGF-VIZOYTHASA-N 354.431 3.226 50 1 FGGF CC(C=NNC(=O)C(=O)NN=CC(C)=Cc1ccccc1)=Cc1ccccc1 1857622930 DDWMYLDFCXXFJT-UHFFFAOYSA-N 374.444 3.397 50 1 FGGF COC(=O)C(=O)[C@H](Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102527 XEYZCZHCBKEOPC-QGZVFWFLSA-N 365.772 3.468 50 1 FGGF CN(C)CCSSCCCn1cc(-c2ccc(CC#N)cc2)nn1 618009506 DWMXHWZTXXZHGV-UHFFFAOYSA-N 361.540 3.344 50 1 FGGF C=C1C(=O)O[C@@H]2C=C(C)C[C@H]3C=C(CC=C[C@](C)(OO)CC[C@H]12)C(=O)O3 2356704531 WSXLFQQZQWNCIS-XLSPSMHOSA-N 360.406 3.261 50 1 FGGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cnon2)[C@@H]1c1ccc(F)cc1 587327473 PUKBWQJQZSUMRB-AEFFLSMTSA-N 374.755 3.408 50 1 FGGF CC(=O)OC[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587689865 XJKNMMURGVVESY-XLKFXECMSA-N 364.642 3.120 50 1 FGGF CCCc1c(O)ccc2c1O[C@](CBr)([C@H]1CCOC1)CC2=O 587455365 BCDFFHLYZYEDDX-APPDUMDISA-N 369.255 3.480 50 1 FGGF CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(Cl)c(Cl)c2)C(=O)OC1=O 169320143 VIIBUBLQNULWSR-WDZFZDKYSA-N 356.161 3.164 50 1 FGGF C=C1C(=O)O[C@@H]2C[C@](C)(O)CCC[C@](C)(OO)C=CC[C@]3(C)O[C@H]3C[C@@H]12 2356824284 GUFZVUQDMUFCHU-ZYLYKIMZSA-N 366.454 3.151 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(N)cc1)O2 587370401 BBGPSNDLORPGQX-QGZVFWFLSA-N 361.239 3.415 50 1 FGGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cnon2)[C@@H]1c1ccc(F)cc1 587327479 PUKBWQJQZSUMRB-SJLPKXTDSA-N 374.755 3.408 50 1 FGGF COc1cccc2c1C(=O)c1c(OC)cc(CBr)cc1C2=O 29333646 BSOWZXFPBBGESB-UHFFFAOYSA-N 361.191 3.374 50 1 FGGF CCC[C@H]1C=C[C@@H](CCC[C@]2(OC)C=C[C@@H](CC(=O)OC)OO2)OO1 44418102 VZSAJLFIIGOYQK-UIBIWLFHSA-N 356.415 3.004 50 1 FGGF COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1ccccc1Cl 13445942 LJPLDNPTSAORDL-UHFFFAOYSA-N 357.841 3.192 50 1 FGGF COc1ccc2c3c(n(C)c2c1)[C@@H]1C[C@H]2C(C=O)=C(C)OC[C@H]2[C@H](C3)N1C 85569981 OKOHMBRGHIAYBH-MTOHEIAKSA-N 366.461 3.224 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@H](C)NC(=O)OC(C)(C)C)O2 587373427 QNZCDVCTXLIZHE-BBATYDOGSA-N 368.861 3.433 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCN3C=O)O2 587373568 RKBLYCTYLYKOAR-FQEVSTJZSA-N 370.836 3.196 50 1 FGGF COC(=O)c1cccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587417396 MDWKGFWECAXIOZ-QRWLVFNGSA-N 372.804 3.364 50 1 FGGF C=C1CC[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)C[C@H]2C=C(CC[C@H]1OO)C(=O)O2 2356447098 VTUGHLCKKNSTAF-BSDSXHPESA-N 360.406 3.261 50 1 FGGF NNC(=O)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587241849 BPNTXMUQHKPMHA-UHFFFAOYSA-N 359.389 3.283 50 1 FGGF COc1cc2c3c(c1)O[C@](C)([C@H](Cl)C(=O)Nc1ccccc1)[C@@H](C2)C3=O 587417046 IRRLXJZTRAKJGM-QMIHWGKISA-N 371.820 3.447 50 1 FGGF CC(=O)[C@](O)(C[C@@H]1OC1(C)C)[C@@H]1CC[C@@](C)(Cl)[C@H](Br)C1 2356587237 CYLYPTSAEXHPFD-GGUBGCTKSA-N 367.711 3.435 50 1 FGGF CC(C)c1nn(C)c2c1[C@@](CCl)(c1nnc(-c3ccccc3)o1)NCC2 962919630 PZMVLAUKERWESC-IBGZPJMESA-N 371.872 3.222 50 1 FGGF O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1ccc(Br)s1 1663031 ZWLOUSZGJLDFGD-KGYSUWQBSA-N 370.184 3.441 50 1 FGGF Nc1ccc(S(=O)(=O)c2ccc(N(CCCl)CCCl)cc2)cc1 27409451 PVZBFFNMUBEJRR-UHFFFAOYSA-N 373.305 3.386 50 1 FGGF C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H]1O[C@]1(C)CC=C[C@@](C)(OO)CCC2=O 2356411015 WPTRRIXCZXIQKN-ARSBKQPYSA-N 364.438 3.360 50 1 FGGF CCN(CC)C(=O)OCC[C@@H]1CCC[C@@H]2CC[C@@]3(C)OO[C@@]12[C@H](OC)O3 43845623 VYFXZNNVPSHMRZ-LMCLKVLCSA-N 371.474 3.471 50 1 FGGF O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(F)cc2F)ccc1O 221353659 ZUIUPZBUYPMQRL-FOKLQQMPSA-N 353.328 3.496 50 1 FGGF CN(C)CCSSCCNC(=O)c1ccccc1Br 618009373 WQTCHCMUDOWZCH-UHFFFAOYSA-N 363.346 3.122 50 1 FGGF Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CCl)n1 587885473 KADPIMMOQSCPRD-UHFFFAOYSA-N 370.667 3.176 50 1 FGGF COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC=C[C@@]([C@H](C)Cl)(C1)[C@H]23 200011735 UNQYUBCRSGGIMW-CUCDBKBVSA-N 370.880 3.439 50 1 FGGF C=C(C=O)[C@@H]1Oc2ccc([C@H](C)OC(C)=O)cc2[C@@H]1OC(=O)CC(C)C 2356582227 XQHWUPXUEFPMSI-MRFFXTKBSA-N 360.406 3.457 50 1 FGGF CCOC(=O)C(=O)[C@@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495805 FZVMFEHMCLWLBI-MJGOQNOKSA-N 364.825 3.029 50 1 FGGF O=C=Nc1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587276959 VOCONFPLFPPXEI-UHFFFAOYSA-N 373.162 3.281 50 1 FGGF O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(O)cc1 1857534304 CLFFGPVCENDFLT-UHFFFAOYSA-N 356.234 3.330 50 1 FGGF CN(CCCl)CCCNc1cccc2c1C(=O)c1ccccc1C2=O 29545146 KKGWPQJXSOPYBB-UHFFFAOYSA-N 356.853 3.435 50 1 FGGF CCCc1c(CC(=O)NN)c2cc(OC)ccc2n1Cc1ccccc1 13445921 YKSGMBGNOASDOZ-UHFFFAOYSA-N 351.450 3.183 50 1 FGGF C[C@H](Br)C1=CC(=C(Br)Br)OC1=O 34033693 UMFVJPYFZQENDQ-VKHMYHEASA-N 360.827 3.212 50 1 FGGF CCOC(=O)[C@@H](I)[C@]12CCC[C@@H](C1)C(C)(C)OO2 100919668 AFRYNRQLAQFHTR-CWSCBRNRSA-N 368.211 3.023 50 1 FGGF CCOC(=O)[C@H](Cl)[C@@]1(CC(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587417704 OUZYCVIQQVRIRS-FMEYXAORSA-N 366.841 3.398 50 1 FGGF O=C(Nc1cc2c3c(cccc3c1)C(=O)OC2=O)c1ccc([N+](=O)[O-])cc1 95583813 DZFDNNYKMKLGKB-UHFFFAOYSA-N 362.297 3.311 50 1 FGGF COc1ccc2c3c1O[C@@H]1[C@@H](O[Si](C)(C)C)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 261165857 RXSDDUCBUIPWHI-RWQYCXNXSA-N 371.553 3.360 50 1 FGGF in-vitro CCCc1cc(=O)oc2c1c1c(c3oc(C(=O)NN)cc32)C=CC(C)(C)O1 299859939 ZENVEWGHJPXZQT-UHFFFAOYSA-N 368.389 3.279 50 1 FGGF O=C1c2c(O)cccc2C2(Oc3cccc4cccc(c34)O2)[C@H](O)[C@H]1Cl 2356721980 VERJQRRBSKVZER-PKOBYXMFSA-N 368.772 3.334 50 1 FGGF Cc1ccc2c(CC(=O)NCCCSSCCN(C)C)c[nH]c2c1 618017682 VECJRFLZCXAREV-UHFFFAOYSA-N 365.568 3.468 50 1 FGGF CC1(C)O[C@@H]2C(=O)c3ccccc3C(=O)[C@H]2[C@@H](N=[N+]=[N-])[C@@H]1Br 377836377 COAMQTJABBZFQJ-JYILRKAJSA-N 364.199 3.302 50 1 FGGF CO[C@](C)(/C=C1/C=C(C)C(=O)O1)C[C@@H]1C=C(CCC(C=O)=C(C)C)C(=O)O1 13384202 MSDPTAGLGJLKRT-GQQAKVJGSA-N 374.433 3.336 50 1 FGGF C=C1C(=O)O[C@H]2C[C@H]1CC[C@]1(C)O[C@@H]1CC[C@@](C)(OO)C=CC[C@@]2(C)O 2356794842 IDJKTYXFVCMLQD-OWJTWYAJSA-N 366.454 3.151 50 1 FGGF CC(=O)[C@](O)(C[C@@H]1OC1(C)C)[C@@H]1CC[C@](C)(Cl)[C@H](Br)C1 2356587238 CYLYPTSAEXHPFD-RKEKIRQTSA-N 367.711 3.435 50 1 FGGF COc1ccc([C@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2CO)cc1OC 238752778 AXBCRVXFVXYBFX-ZABPZDLMSA-N 370.401 3.134 50 1 FGGF Cc1cc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[nH]n1 15979264 SPQXPYXGMNMEAG-LSCVHKIXSA-N 373.756 3.304 50 1 FGGF O=c1cc(CCl)oc(CN2CCN(c3cccc(Cl)c3)CC2)c1O 103216188 WWBGRLRHSZEALD-UHFFFAOYSA-N 369.248 3.060 50 1 FGGF C[C@H](Br)c1nc2cc(I)cnc2[nH]1 587008083 GYMBYGOWICRPET-BYPYZUCNSA-N 351.973 3.018 50 1 FGGF O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(CN2CCC[C@H](O)C2)cc1 1857749981 CTMODUMJWIENCS-OZNZCJATSA-N 371.868 3.061 50 1 FGGF CN(C)CCSSCCNC(=O)c1ccc2ccccc2c1O 618007725 GIXPSIKWYMZLKC-UHFFFAOYSA-N 350.509 3.218 50 1 FGGF CC1(C)O[C@H]2C(=O)c3ccccc3C(=O)[C@H]2[C@@H](N=[N+]=[N-])[C@@H]1Br 377836378 COAMQTJABBZFQJ-MHWZDGSBSA-N 364.199 3.302 50 1 FGGF CC(=O)Nc1cc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)ccc1O 587371925 ICMUYAAWVUHGFH-IBGZPJMESA-N 374.824 3.341 50 1 FGGF NNC(=O)CCCCCCCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873691 KQDPLPZCIJHTCA-UHFFFAOYSA-N 360.389 3.156 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3ccccn3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100036598 VUFWDQIDRMHCAU-PXEGGNBCSA-N 372.465 3.276 50 1 FGGF N[P@@](=O)(OCc1ccc([N+](=O)[O-])c(F)c1)N(CCCl)CCCl 64548558 HKCNYMPHKZXWRF-JOCHJYFZSA-N 374.136 3.097 50 1 FGGF C[C@@]1(CC(=O)NCc2ccc3c(c2)OCCO3)CC2(CCCCC2)OO1 49745415 LZGLHOVCHAQTAY-LJQANCHMSA-N 361.438 3.278 50 1 FGGF COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(Br)o2)cc1 95587418 UIIBKERVSJRLTD-XYOKQWHBSA-N 361.195 3.274 50 1 FGGF O=C(NNc1ccc(Br)cc1)C(=O)c1c[nH]c2ccccc12 72176357 HCAJFCIJRYPTTI-UHFFFAOYSA-N 358.195 3.256 50 1 FGGF COc1ccc2ccccc2c1/C=N\NC(=O)c1sc(N)c(C#N)c1C 15990515 KTWMRVWOBWJRDW-YVNNLAQVSA-N 364.430 3.436 50 1 FGGF CC(C)(CCl)C(=O)Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587368182 DIYAWRVIMBQITD-UHFFFAOYSA-N 372.812 3.307 50 1 FGGF COc1ccc(NC(=O)[C@H]2C[C@]3(C)CCCC[C@@]3(O)[C@@H](Cl)C2=O)cc1 13742786 WDFPQQOSYBAYFX-OYSPMZIOSA-N 365.857 3.142 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C(C#N)=C\N(C)C)(c1cccs1)O2 587412698 KCRWKMHVFSTJKV-NJBZPOFQSA-N 353.447 3.469 50 1 FGGF COc1ccccc1/C=N/NC(=O)Cc1cc(=O)oc2c(C)ccc(C)c12 40916620 NGPAIBWPGSQSQX-WSDLNYQXSA-N 364.401 3.111 50 1 FGGF COc1ccc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2CO)cc1OC 238757261 AXBCRVXFVXYBFX-CGJGEUGISA-N 370.401 3.134 50 1 FGGF C[C@@H]1O[C@]23C[C@H](c4ccc(C(F)(F)F)cc4)OC(=O)C2=C[C@@]1(C)OO3 96934028 ZHHRIFKTPFTONY-CIGJXOAISA-N 356.296 3.455 50 1 FGGF N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)CCC2)[C@H]1c1cccnc1 2500568 FVMKFVVIHLUROK-IBGZPJMESA-N 367.412 3.147 50 1 FGGF NC(=O)c1coc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587498854 PXRRAFAJJLGKPZ-IBGZPJMESA-N 359.809 3.357 50 1 FGGF COC(=O)C1=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C)CC[C@H]2C(C)(C)C1=O 71329289 LUHMCQPPRUOXQY-JHVJFLLYSA-N 353.418 3.076 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@@H]3CCCC(=O)O3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105431 OZBWXPSVBHLGSQ-FHRWZZFWSA-N 366.454 3.333 50 1 FGGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3ccccn3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 169371526 VUFWDQIDRMHCAU-SSLFOJGRSA-N 372.465 3.276 50 1 FGGF CCc1c(C)[nH]c(=O)c(N(C)CCOC)c1Cc1cccc(/C=C/C#N)c1 34081159 GUSPHNVTAWXCCQ-JXMROGBWSA-N 365.477 3.456 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(CCC(N)=O)cc1)O2 587370576 AJTLHUNWYUABJI-FQEVSTJZSA-N 372.852 3.095 50 1 FGGF COc1ccc2c(c1)c(CC(=O)NN)c(C)n2CCCc1ccccc1 13445882 QLXVYOBWHLXGJY-UHFFFAOYSA-N 351.450 3.124 50 1 FGGF CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)C1CCCCC1 102420806 ODVYGFJKCIYKJR-LPYMAVHISA-N 358.442 3.046 50 3 FGGF O=[P@]1(N(CCCl)CCCl)N[C@H](OO)C[C@@H](c2ccccc2)O1 43328054 CNVQAYNVIOBNSS-UAGWRWDDSA-N 369.185 3.441 50 1 FGGF C/C(N)=C(/C#N)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689050 PCGOAJJWABXROF-WLOAVEQVSA-N 372.669 3.313 50 1 FGGF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/CBr)[nH]c2c1 586973573 LOZLDEKELKKCJJ-AATRIKPKSA-N 372.288 3.002 50 1 FGGF O=C(N1CCCC1)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 44069925 IXNFIPVSNHOSPP-UHFFFAOYSA-N 362.470 3.125 50 1 FGGF CCCNNC(=O)c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1 1857586189 TVPDYOISEGBMAN-UHFFFAOYSA-N 364.493 3.453 50 1 FGGF Cc1cncc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c12 587009619 NOTPGIUJFXBYMS-HNNXBMFYSA-N 367.840 3.386 50 1 FGGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCl)CNCc1ccco1 963060833 XJSCMLGBCRPFOZ-FQEVSTJZSA-N 371.868 3.206 50 1 FGGF CN(C)CCSSCCCn1cc(COc2ccccc2)nn1 618009813 KLRRPKLLQUFYFH-UHFFFAOYSA-N 352.529 3.190 50 1 FGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4nc(O)oc4c1)[C@@H](C2)C3=O 587418797 AYMIBEVYYYMMLW-HXPMCKFVSA-N 371.776 3.424 50 1 FGGF COc1cccc2c3c(cnc12)CCN[C@]3(CCl)CNCc1ccco1 963060834 XJSCMLGBCRPFOZ-HXUWFJFHSA-N 371.868 3.206 50 1 FGGF COc1ccc2c(c1)CCc1cnn(CCN(CCCl)CCCl)c1-2 169320679 IUMOONLUNJSZQU-UHFFFAOYSA-N 368.308 3.437 50 1 FGGF COc1ccc2c3c1O[C@@H]1[C@@H](O[Si](C)(C)C)C=C[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169906441 RXSDDUCBUIPWHI-CLFNVJJBSA-N 371.553 3.360 50 1 FGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](CCl)(c2ccc3c(c2)CCC3)N1 962903201 AABTUCBZMQRMLI-ICSRJNTNSA-N 359.828 3.396 50 1 FGGF COc1ccc(CN2CC(CO)=C(O[Si](C)(C)C(C)(C)C)C2=O)cc1 653710266 LAYFTXJUOPYHAD-UHFFFAOYSA-N 363.530 3.306 50 1 FGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1oc(C)nc1C)O2 587372526 JLEODBFGMMFXCW-MRXNPFEDSA-N 365.227 3.438 50 1 FGGF CC(C)[C@@]1([C@@H](C)Br)NCCc2ccc(C(=O)N(C)C)cc21 962931373 BJIACRMJCZHYKT-PXAZEXFGSA-N 353.304 3.169 50 1 FGGF O=CC1=COc2c(ccc3ccccc23)[C@]12NCCc1c(C(=O)O)cccc12 963131921 PLDLOIIGRLQDBB-QHCPKHFHSA-N 371.392 3.403 50 1 FGGF Cc1nc2cc(C(=O)N/N=C\c3c[nH]c4ccccc34)c([N+](=O)[O-])cc2[nH]1 40980944 SHWOMYUVYFDOCN-UKWGHVSLSA-N 362.349 3.025 50 1 FGGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnn(CCl)c1 587885558 OEXBYXUUVUMGPY-UHFFFAOYSA-N 356.640 3.097 50 1 FGGF