smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)c1ccc(CSCC(=O)Nc2cc(F)c(F)cc2F)cc1 1040927 ZYPCQMPSYCFBTM-UHFFFAOYSA-N 367.436 5.273 0 30 FKAC CCC[C@H]1CC[C@H](OC(=O)c2ccc([C@H]3CC[C@H](CCC)CC3)cc2)CC1 267324799 DABPIGVWYIYREQ-RIYBONNASA-N 370.577 7.276 0 30 FKAC Cc1oc(C(C)(C)C)cc1C(=O)NCc1csc2ccc(Cl)cc12 1032550 JZPGVBKIKSRHDV-UHFFFAOYSA-N 361.894 5.684 0 30 FKAC CC(=NOC(=O)c1c(Cl)cccc1Cl)[C@@H]1C[C@H]1c1ccc(F)cc1 4091589 LHZIYWLWDILKIM-KBPBESRZSA-N 366.219 5.469 0 30 FKAC FC(F)(F)c1cccc(-c2nc(-c3ccc(-c4ccno4)s3)no2)c1 12368976 BAYGZNIKPBKIOH-UHFFFAOYSA-N 363.320 5.139 0 30 FKAC O=C(NC(=O)c1ccc(-c2cccs2)s1)SCc1cccs1 2154092 FJLVITNGSNYVOL-UHFFFAOYSA-N 365.526 5.321 0 30 FKAC Clc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C[C@H]32)cc1 4343912 NXJOEMUMGLDHJB-GCJKJVERSA-N 361.897 6.480 0 30 FKAC FC(F)(F)c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 4390729 MGZZBDHFLYIJJR-UHFFFAOYSA-N 374.214 6.803 0 30 FKAC CC(C)Cc1ccc(C=CC(=O)NC(c2ccccc2)c2ccccc2)cc1 2265279660 OLPWHQNVBWEIPX-UHFFFAOYSA-N 369.508 5.804 0 30 FKAC FC(F)(F)c1c2c(nc3cc(-c4cccs4)nn13)-c1ccccc1C2 1040204 KUVJFYMFQXUBQB-UHFFFAOYSA-N 357.360 5.048 0 30 FKAC Clc1ccc2c(c1Cl)Oc1c(Cl)cc(Cl)c(Cl)c1O2 5784467 SEKDDGLKEYEVQK-UHFFFAOYSA-N 356.419 6.852 0 30 FKAC CC(=O)c1sc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C 1043854 WOURUIYLLDHUIB-UHFFFAOYSA-N 354.180 5.647 0 30 FKAC CS(=O)(=O)c1cc(Cl)cc(-c2ccc(Cl)cc2Cl)c1Cl 6019571 ZNXQPIPGYODIDR-UHFFFAOYSA-N 370.084 5.371 0 30 FKAC CCCCCCOC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 33611502 PGUMMMGEOGCDCG-SNVBAGLBSA-N 353.673 5.538 0 30 FKAC Fc1ccc(-c2cn(-c3ccccc3)/c(=N/c3ccccc3)s2)cc1F 3118342 VERWBRNFGUGALX-FLFQWRMESA-N 364.420 5.716 0 30 FKAC Cc1c(C)c(C)c([C@H](C)O[C@@H](C)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C 3161637 HJPUYZSEGWLQKH-ZEQRLZLVSA-N 366.589 7.610 0 30 FKAC O=C(NCCSCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 4390641 OVLIRMYIVOKVPI-UHFFFAOYSA-N 373.827 5.022 0 30 FKAC Clc1cccc(Cl)c1[C@@H]1CC(c2ccccc2)=NN1c1ccccc1 4336649 WTBIEVJBXAOULE-FQEVSTJZSA-N 367.279 6.349 0 30 FKAC N#Cc1cccc2c1Oc1cc(-c3ccccc3)c(-c3ccccc3)cc1O2 139671900 KRIVWSVYFUMPGE-UHFFFAOYSA-N 361.400 6.790 0 30 FKAC O=C(Oc1ccc2ccccc2c1)C1c2ccccc2Oc2ccccc21 1038901 KVNQMBOTKFPBAJ-UHFFFAOYSA-N 352.389 5.683 0 30 FKAC Cc1cc(C(c2cc(C)c(N)cc2C)c2ccccc2Cl)c(C)cc1N 5419512 MCZONIGXYAOYBE-UHFFFAOYSA-N 364.920 5.918 0 30 FKAC Cc1ccc(Sc2ncccc2NC(=O)c2ccccc2Cl)cc1 1043458 ALJLVTZYMRNUQP-UHFFFAOYSA-N 354.862 5.447 0 30 FKAC O=C(c1ccccc1)c1c(-c2ccccc2)csc1Nc1ccccc1 2387794 AAEWSJGYOKSZIF-UHFFFAOYSA-N 355.462 6.390 0 30 FKAC Cc1ccc([C@@H]2CN=N[C@]23C(=O)c2ccccc2O[C@H]3c2ccccc2)cc1 4343408 NAICJOWMLQHUQW-OYDLWJJNSA-N 368.436 5.300 0 30 FKAC C=C(C(=O)O)[C@H](CCCCCCCCCCCCCC[C@H](C)O)C(=O)O 14454701 HJXLPGSJISFNMG-HKUYNNGSSA-N 370.530 5.170 0 30 FKAC biogenic CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C 38655946 GFFGRXBREAKWET-UHFFFAOYSA-N 362.510 5.797 0 30 FKAC CCC(c1cc(C)cc(C(C)(C)C)c1O)c1cc(C)cc(C(C)(C)C)c1O 114634555 VLMXLJDETSJMEV-UHFFFAOYSA-N 368.561 6.852 0 30 FKAC Cc1ccsc1/C=C/c1ccnc(SCc2cccc(Cl)c2)n1 4365948 HRBNTIUNIYNPGO-AATRIKPKSA-N 358.919 5.963 0 30 FKAC O=C(O)CCn1cc(C(c2ccccc2)c2ccccc2)c2ccccc21 5421352 YSIRQMKOJSTZCP-UHFFFAOYSA-N 355.437 5.296 0 30 FKAC COc1cscc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1037559 KYMWSGBQLRLOBX-UHFFFAOYSA-N 369.286 5.047 0 30 FKAC COc1cccc(N[C@@H](C(=O)c2ccccc2)c2ccccc2)c1Cl 585139092 FOBMIFYCACHKIH-HXUWFJFHSA-N 351.833 5.385 0 30 FKAC CC(C)(C)c1ccc(Nc2ccc(Nc3ccc(C(C)(C)C)cc3)cc2)cc1 38609881 RHAQEUSTCCHDAB-UHFFFAOYSA-N 372.556 7.769 0 30 FKAC Clc1ccc2oc3c(Cl)c(Cl)c(Cl)c(Cl)c3c2c1Cl 2569953 VSDUQUBUJRNREH-UHFFFAOYSA-N 374.865 7.506 0 30 FKAC C/C(=C/[C@@](C)(CC(C)(C)c1ccccc1)c1ccccc1)c1ccccc1 96336199 LEOZNBAZHMBUST-GQPGBQDVSA-N 354.537 7.416 0 30 FKAC Cc1c(C)c(C)c([C@@H](C)O[C@H](C)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C 3161638 HJPUYZSEGWLQKH-DNQXCXABSA-N 366.589 7.610 0 30 FKAC O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc(C(F)(F)F)cn1 1034069 ZKOUAVPLBMSHII-UHFFFAOYSA-N 350.127 5.051 0 30 FKAC c1ccc([C@@H]2[C@H]3CCCC[C@H]3[C@@H](c3ccccc3)N2c2ccccc2)cc1 32224314 UNYZBQGRTBTNCX-XDZVQPMWSA-N 353.509 6.796 0 30 FKAC C(=C/c1ccc(-c2nc3ccccc3o2)cc1)\c1ccc(-c2ccccc2)cc1 5934558 WTYIOUUBRHRFOP-ZHACJKMWSA-N 373.455 7.332 0 30 FKAC O=C(Nc1cccnc1Oc1ccc(Cl)cc1)c1cccc2ccccc12 1043421 DNSSMWPZZJXGBJ-UHFFFAOYSA-N 374.827 5.933 0 30 FKAC CCCC[C@@H](Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)OCC 33866057 UXIMOIGIDKQGOV-HXUWFJFHSA-N 360.881 5.432 0 30 FKAC CC(C)(C)c1ccc(Oc2ccccc2C=C2SC(=O)NC2=O)cc1 2265276896 MVVSIZNXRWQGKM-UHFFFAOYSA-N 353.443 5.100 0 30 FKAC Cc1nc2c(-c3ccccc3)c(C(F)(F)F)nn2c(C)c1-c1ccccc1 1032671 NGBDUEUCYHLVOK-UHFFFAOYSA-N 367.374 5.699 0 30 FKAC COc1ccc2[nH]c3c(C)c4c(cc3c2c1)[C@H](C)N(Cc1ccccc1)CC4 111899618 SNWJXHHMBDJMIW-KRWDZBQOSA-N 370.496 5.757 0 30 FKAC Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1 2568325 PITHIPNORFGJPI-UHFFFAOYSA-N 360.882 7.274 0 30 FKAC biogenic N=C(Nc1csc(C(F)(F)F)c1-c1ccccc1)N1CCCCC1 100381442 ZWONSTYWEWETAI-UHFFFAOYSA-N 353.413 5.266 0 30 FKAC S=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@@H]1c1cccs1 1024107 MSQNZKKREVVRFP-CYBMUJFWSA-N 357.331 5.589 0 30 FKAC FC(F)(F)c1ccncc1-c1noc(-c2ccc(Cl)c(Cl)c2)n1 1042916 FXJASVAHOXASRT-UHFFFAOYSA-N 360.122 5.124 0 30 FKAC CC(=O)O[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253497926 OCALFWPYWJWRRG-MVBVOLBLSA-N 360.538 5.166 0 30 FKAC CC(C)(C)c1ccc(-c2cc(NC(=O)c3ccc(Cl)cc3)[nH]n2)cc1 1037325 QPCPPINDOIFVPV-UHFFFAOYSA-N 353.853 5.280 0 30 FKAC COc1cccc(NC(=O)OCc2cc(-c3ccc(Cl)cc3)oc2C)c1 1046762 IILTTXSRAKFCAB-UHFFFAOYSA-N 371.820 5.666 0 30 FKAC N=c1scc(-c2ccc(Cl)cc2)n1-c1cccc(C(F)(F)F)c1 4306911 LPJSSRYUEBRCEV-UHFFFAOYSA-N 354.784 5.357 0 30 FKAC CCCc1cc(NC(=O)OC(C)(C)C)c2cc(Br)ccc2n1 32099253 VMAQLZQFIHWVET-UHFFFAOYSA-N 365.271 5.297 0 30 FKAC Cc1c(S(=O)(=O)Nc2ccccc2Cl)sc2ccc(Cl)cc12 1040522 QMIJXXHKMNPELL-UHFFFAOYSA-N 372.298 5.317 0 30 FKAC Clc1ccc(COc2ccc(C3SCCS3)cc2)cc1Cl 2141985 OBIBUBNRRWHHHC-UHFFFAOYSA-N 357.327 6.051 0 30 FKAC Cc1c(C(=O)CSc2ccc(Cl)cc2)sc2ccc(Cl)cc12 2150311 BVNCVSAEPBGLBT-UHFFFAOYSA-N 367.322 6.492 0 30 FKAC CC(C)N(Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1033994 KEAVQUNOBIAQSK-UHFFFAOYSA-N 352.356 5.028 0 30 FKAC CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21 200868125 YMLGKCHMIGILKV-UHFFFAOYSA-N 359.472 7.090 0 30 FKAC C/C(=C\c1cccc(C(=O)O)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 26671906 VZEFZNZNVIXOCT-FOWTUZBSSA-N 362.513 6.603 0 30 FKAC CC1=N/C(=C(/C)c2c(C)c(C(C)(C)C)c(C)n2B(F)F)C(C)=C1C(C)(C)C 217905272 PWHBPSBMOOZCKM-RGEXLXHISA-N 374.328 6.743 0 30 FKAC CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC)cc3)c(F)c2)CC1 604936615 QVFBANOSNYADEV-MEMLXQNLSA-N 352.537 7.909 0 30 FKAC CC(C)=CCC/C(C)=C/C(n1ccc2ccccc21)n1ccc2ccccc21 38645316 XSHXVCYGTIAJFF-XUTLUUPISA-N 368.524 7.336 0 30 FKAC CC(C)=CCC/C(C)=C/COc1cc(=O)oc2cc3oc(O)c(O)c3cc12 2243729 AUZPHAXYXPXQGF-NTUHNPAUSA-N 370.401 5.022 0 30 FKAC O=C(NCCSCc1ccccc1Cl)c1ccc(Cl)c(Cl)c1 4390633 CETGABNFMWWEBB-UHFFFAOYSA-N 374.720 5.310 0 30 FKAC Clc1ccc(C(Br)=C(c2ccccc2)c2ccccc2)cc1 95793306 LUFBUHNWDHJVBG-UHFFFAOYSA-N 369.689 6.652 0 30 FKAC CCCC[C@@H](CC)Cc1ccc([Sn](C)(C)C)s1 644157172 IZLFNZXYTOTLNV-LOSFGHDGSA-N 359.167 5.052 0 30 FKAC Cc1c(C)c(C)c(CSC2=NCCN2Cc2ccccc2)c(C)c1C 4323613 IPCITRUELNXIND-UHFFFAOYSA-N 352.547 5.334 0 30 FKAC Cc1cc(Br)ccc1NC(=S)Nc1c(C)cccc1Cl 1041734 WCHCJDMMBLRIPP-UHFFFAOYSA-N 369.715 5.528 0 30 FKAC Fc1ccc(-c2n[nH]cc2C=NOCc2ccc(Cl)cc2Cl)cc1 254822732 WVDUNXXENISPKH-UHFFFAOYSA-N 364.207 5.073 0 30 FKAC CCCCCCCCCCCCCCCCCC(=O)[N+](C)(C)CC(=O)O 111884230 RQFMXXMHBDZPOZ-UHFFFAOYSA-O 370.598 5.936 0 30 FKAC Cc1ccc(-c2noc(-c3cc(C(C)(C)C)nn3Cc3ccccc3)n2)cc1 1047046 RWDCIZAQYURXOQ-UHFFFAOYSA-N 372.472 5.254 0 30 FKAC CCCCCC[C@H](C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl 3870722 LNNVYVOLCDEYEU-NSHDSACASA-N 367.700 5.928 0 30 FKAC biogenic,in-vitro Clc1cc2oc3c(Cl)c(Cl)cc(Cl)c3c2c(Cl)c1Cl 5784177 JZVOLXQREJNTTL-UHFFFAOYSA-N 374.865 7.506 0 30 FKAC CCc1cccc(CC)c1NC(=S)Nc1cccc(Cl)c1Cl 13658725 CUQHRZVPRFEOIS-UHFFFAOYSA-N 353.318 5.927 0 30 FKAC O=C(NCc1csc2ccc(Cl)cc12)c1ccc(C(F)(F)F)cc1 1046196 ZKZYVCLSNILQFF-UHFFFAOYSA-N 369.795 5.504 0 30 FKAC O=C(Nc1ccccc1)Nc1ccc(C(F)(F)F)cc1Br 1043593 RPAIPHSAUYBTRO-UHFFFAOYSA-N 359.145 5.112 0 30 FKAC FC(F)(F)c1ccc2cc(CSc3ccc(Cl)cc3)ccc2n1 3129139 USQTZAYWNWRKBK-UHFFFAOYSA-N 353.796 6.199 0 30 FKAC CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](O)C[C@H]21 5511539 UEKGZFCGRQYMRM-CEXWTWQISA-N 374.565 6.056 0 30 FKAC biogenic,in-man CC(C)SC1=NC(C=Cc2ccc(Cl)cc2Cl)=CC(C)(C)N1 2265276460 AYSBPUMCRPNTPR-UHFFFAOYSA-N 355.334 5.770 0 30 FKAC COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1 4343825 CVBODMUKCAFWCU-RDPSFJRHSA-N 371.505 6.225 0 30 FKAC Cc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4OC[C@H]32)cc1 1037037 QKZUHYLONHBVDQ-JPYJTQIMSA-N 357.478 5.971 0 30 FKAC CC(C)(C)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 1040224 RLFPCRABNGLHBN-UHFFFAOYSA-N 353.775 5.366 0 30 FKAC CCOCOC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl 2019936 FRQSLQPWXFAJFO-UHFFFAOYSA-N 354.233 5.196 0 30 FKAC in-man FC(F)(F)Oc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1 3119948 UTZUFPIPNMELMQ-UHFFFAOYSA-N 355.768 6.029 0 30 FKAC CC(C)(C)n1c(-c2ccc(Cl)cc2)csc1=NCc1cccnc1 254382182 WZMYQCDKGVXSNO-UHFFFAOYSA-N 357.910 5.121 0 30 FKAC CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C 38613267 BCQGHMNTFIFCQJ-ZBVDZRMISA-N 358.522 5.230 0 30 FKAC CC(=O)O[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253497927 OCALFWPYWJWRRG-YYINEFRXSA-N 360.538 5.166 0 30 FKAC CCSc1nccc(C(F)(F)F)c1C(=O)Nc1ccc(Cl)cc1 1043054 UVLWDXONPOHLNJ-UHFFFAOYSA-N 360.788 5.118 0 30 FKAC Cc1ccc([C@@H](C)NC(=O)c2c(-c3ccccc3Cl)noc2C)c(C)c1 1024803 MYYYETIMRQBGSF-CQSZACIVSA-N 368.864 5.411 0 30 FKAC CC1=CC(C)(C)N=C(SCC(=O)C(C)(C)C)N1c1cccc(Cl)c1 2157364 CUJBUGJEYQZXBB-UHFFFAOYSA-N 364.942 5.547 0 30 FKAC Cc1ccc([C@@H]2CN=N[C@@]23C(=O)c2ccccc2O[C@@H]3c2ccccc2)cc1 13465795 NAICJOWMLQHUQW-TUACAJSNSA-N 368.436 5.300 0 30 FKAC OCc1cccc(-c2cccc(-c3cccc(-c4cccc(CO)c4)c3)c2)c1 223487558 NFDLVRDHBLFSCB-UHFFFAOYSA-N 366.460 5.672 0 30 FKAC COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O[C@H]3CCCCO3)CC[C@H]12 604970753 SJDZPRJOUBDGJM-ZUYVPRDGSA-N 370.533 5.463 0 30 FKAC CCc1ccc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2)cc1 1043400 NBKUSWWMEQBTEE-UHFFFAOYSA-N 352.821 5.342 0 30 FKAC CCN(CC)CCN1CCC[C@H](c2ccc(F)cc2)c2ccc(F)cc21 2033365 DOTHZCSFEPFCMS-HXUWFJFHSA-N 358.476 5.039 0 30 FKAC Clc1cc(Cl)c2c(c1)oc1c(C3CCCCC3)cc(Cl)cc12 6091314 FGPQOHFXRNGRPW-UHFFFAOYSA-N 353.676 7.594 0 30 FKAC CC(=NOCc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 254288433 ALUIIALLCWZYMA-UHFFFAOYSA-N 363.166 5.348 0 30 FKAC CCCC[Sn](CCCC)(CCCC)c1ccns1 203946497 PFOMGRUTPCHAKB-UHFFFAOYSA-N 374.182 5.199 0 30 FKAC CC(C)(C)c1ccc(C(=O)Sc2ccc(OC(F)(F)F)cc2)cc1 2151959 UUWIOXHUQCPFAV-UHFFFAOYSA-N 354.393 5.815 0 30 FKAC Cc1ccc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)c3)nc2)cc1 1034009 QMEIGNVYUKRGQH-UHFFFAOYSA-N 372.346 5.453 0 30 FKAC CCOc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1OC 4336656 WIXLSPWGEOWDJJ-JOCHJYFZSA-N 372.468 5.450 0 30 FKAC CC(=NOCc1ccc(Cl)cc1)c1sc2nc3ccccc3n2c1C 254600689 HWUZFSNDDBIUPB-UHFFFAOYSA-N 369.877 5.452 0 30 FKAC O=C(Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1)C1CCC1 1029806 HFJLJMRIRHFFRI-UHFFFAOYSA-N 374.406 5.007 0 30 FKAC CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1 33609494 FANJOUDFTDBLDM-UHFFFAOYSA-N 372.556 7.888 0 30 FKAC CC[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 149283422 BPZJAIVMCBNBHB-JOCHJYFZSA-N 371.446 6.532 0 30 FKAC Cc1nc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cs1 2141988 CLLLTCJSGDQWNR-UHFFFAOYSA-N 350.270 6.004 0 30 FKAC CC(C)[C@H]1CC[C@@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1cccs1 4343796 TVMPTDDDIVIKTA-MISYRCLQSA-N 355.547 5.851 0 30 FKAC Cc1onc(-c2c(F)cccc2Cl)c1-c1nc(-c2cccs2)no1 1047075 FSVSKKKAWPPZMQ-UHFFFAOYSA-N 361.785 5.221 0 30 FKAC CCCC[Sn](CCCC)(CCCC)c1cnc(C)o1 299805514 ROJGXOFVBHNVLX-UHFFFAOYSA-N 372.141 5.039 0 30 FKAC CC(C)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2265351544 FBCZMVKZFVTWFK-VXIODVEVSA-N 372.637 7.287 0 30 FKAC c1ccc2c(c1)SCN2c1ccc(-c2nc3ccccc3s2)s1 198866331 QZDRRZMKTYQLLU-UHFFFAOYSA-N 352.509 6.226 0 30 FKAC COc1cc(N)ccc1OCCCCCSc1ccc(Cl)cc1 1851827 AIOXMRMRDJYCLZ-UHFFFAOYSA-N 351.899 5.272 0 30 FKAC CCN(CC)CCN1CCC[C@@H](c2ccc(F)cc2)c2ccc(F)cc21 2033363 DOTHZCSFEPFCMS-FQEVSTJZSA-N 358.476 5.039 0 30 FKAC Cc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1 4343823 QOHIIMCHEJRGSH-RDPSFJRHSA-N 355.506 6.525 0 30 FKAC COc1cccc(Cn2c(C=Cc3ccccc3Cl)nc3ccccc32)c1 2265278849 FYQYTSLBXQHOFZ-UHFFFAOYSA-N 374.871 5.917 0 30 FKAC Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 1047154 OQHKUZNFICDRHW-UHFFFAOYSA-N 361.319 5.406 0 30 FKAC Clc1cccc([C@H]2Sc3ccccc3N=C3c4ccccc4C[C@H]32)c1 4343901 WXBPCAALBKLWFH-XMSQKQJNSA-N 361.897 6.480 0 30 FKAC CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@H](O)C[C@H]21 248291695 UEKGZFCGRQYMRM-GBESFXJTSA-N 374.565 6.056 0 30 FKAC Clc1cc(Cl)c2c(c1Cl)Oc1c(Cl)ccc(Cl)c1O2 5784887 GNQVSAMSAKZLKE-UHFFFAOYSA-N 356.419 6.852 0 30 FKAC O=C1C(=Nc2ccc(F)cc2)c2ccccc2N1Cc1ccccc1Cl 254843512 YMYIVWYCGMJDIE-UHFFFAOYSA-N 364.807 5.147 0 30 FKAC CCOC(=O)Cn1c(-c2ccco2)nc(-c2ccccc2)c1-c1ccccc1 1036535 YEUOIMKZMWFFMC-UHFFFAOYSA-N 372.424 5.040 0 30 FKAC CC1(C)C=Cc2cc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)ccc2O1 1039185 NXBGTXUGTGYIIX-UHFFFAOYSA-N 372.346 5.607 0 30 FKAC O=C(c1nc(SCc2ccc(Cl)cc2)n2ccccc12)C(F)(F)F 2148747 VZBASRLJMYCERQ-UHFFFAOYSA-N 370.783 5.025 0 30 FKAC Clc1ccc(CSc2nnc(C=Cc3ccccc3)o2)c(Cl)c1 2265278946 INUNZWBSEFCHQL-UHFFFAOYSA-N 363.269 5.839 0 30 FKAC O=C(Nc1ccccc1)N(Cc1ccccc1)c1cccc2ccccc12 1037151 QLRCRUIQVMJKPD-UHFFFAOYSA-N 352.437 6.079 0 30 FKAC Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl 2568311 OKBJVIVEFXPEOU-UHFFFAOYSA-N 360.882 7.274 0 30 FKAC biogenic O=P(Oc1ccccc1)(Oc1ccccc1)Oc1noc2ccccc12 2539644 JPOAONLOMFVCMC-UHFFFAOYSA-N 367.297 5.473 0 30 FKAC CC(C)=CCC[C@H](C)CC(n1ccc2ccccc21)n1ccc2ccccc21 5141500 RYWJPLGWOMDLNH-NRFANRHFSA-N 370.540 7.416 0 30 FKAC O=C(CC=NOCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 254761621 STQNMPRVUKVVFA-UHFFFAOYSA-N 371.651 5.178 0 30 FKAC COc1ccc([C@@H]2CC(c3ccc(C)cc3)=Nc3ccccc3S2)cc1 1045082 CGKRRUPJJLXLCB-QHCPKHFHSA-N 359.494 6.362 0 30 FKAC Cc1c(O)c(-c2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1 3957024 CMRQACMRWZGVRQ-UHFFFAOYSA-N 353.421 5.186 0 30 FKAC CC(C)Cc1ccc(C=CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 2265279708 XKXPCWMBABGNEF-UHFFFAOYSA-N 363.379 5.436 0 30 FKAC COC(=O)c1cccc2cccc(-c3cccc4cccc(C(=O)OC)c34)c12 1038928 IVNHURLCDJKGIK-UHFFFAOYSA-N 370.404 5.233 0 30 FKAC COc1cccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)c1Cl 585139091 FOBMIFYCACHKIH-FQEVSTJZSA-N 351.833 5.385 0 30 FKAC CCCCCCCCCCCCCCCCCC[C@H](C)[C@H](C)C(=O)OC 141692608 QNAJTCHFJVPQHR-GOTSBHOMSA-N 368.646 8.083 0 30 FKAC Cc1ccc(C=Cc2ccc(=O)n(Cc3ccc(C(C)(C)C)cc3)n2)cc1 2265276463 BKXPUTYYIUZYNO-UHFFFAOYSA-N 358.485 5.068 0 30 FKAC CCCCCc1ccc(-c2n[nH]c(SCc3ccccc3Cl)n2)cc1 2149216 NKEBTULYGHZJSN-UHFFFAOYSA-N 371.937 6.150 0 30 FKAC CSc1ccc(C=CC(=O)Nc2ccc(Br)c(C)c2)cc1 2265279678 RSVNAKZVKRMSER-UHFFFAOYSA-N 362.292 5.131 0 30 FKAC CC(C)(C)c1ccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)cc1 4390706 AEXKEHQMMQLYDZ-UHFFFAOYSA-N 365.498 5.936 0 30 FKAC COC1=C[C@H]2C(C)(C)CCC[C@]2(C)c2ccc(OC(C)=O)c(C(C)C)c21 96330844 WUIWHPXAFZHOFF-WMZHIEFXSA-N 356.506 5.820 0 30 FKAC CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)c1c(F)cccc1F 1040797 MXXMNHGLXIPSFB-UHFFFAOYSA-N 361.388 5.140 0 30 FKAC Cc1c(Cl)cccc1NC(=S)NC1CCCCCCCCCCC1 3180466 XZEVMWMOBWGEIB-UHFFFAOYSA-N 367.002 6.608 0 30 FKAC C[C@@H](c1ccccc1)c1cc([C@H](C)c2ccccc2)c(O)c(C(C)(C)C)c1 6030414 FSKWPMWCAAAHCA-RBUKOAKNSA-N 358.525 6.993 0 30 FKAC O=C(OCc1ccccc1)c1ccc2cccnc2c1OCc1ccccc1 221250759 KHRZTUDKDVGMDA-UHFFFAOYSA-N 369.420 5.171 0 30 FKAC Nc1ccccc1S[C@H](CC(=O)c1ccc(Cl)cc1)c1ccsc1 1046035 DJYRIMMIWNMXAL-LJQANCHMSA-N 373.930 6.090 0 30 FKAC FC(F)(F)Oc1ccccc1-c1nnc(-c2cccc(C(F)(F)F)c2)o1 2159042 IUXBELDMBILDLB-UHFFFAOYSA-N 374.240 5.321 0 30 FKAC Clc1ccccc1N=Nc1cnc(-c2ccncc2)nc1-c1ccccc1 254342910 VVGYBBDQMGDGHR-UHFFFAOYSA-N 371.831 6.274 0 30 FKAC CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccccc2OC(F)(F)F)cc1 4390554 DWWOTGBTWCTIGN-AWEZNQCLSA-N 365.395 5.526 0 30 FKAC Clc1ccc(C=NNc2nc(Cl)nc3ccccc23)c(Cl)c1 254850415 ZUZAKMDXNSRAJC-UHFFFAOYSA-N 351.624 5.036 0 30 FKAC FC(F)(F)c1cc(N2CCc3ccccc3C2)c2cccc(Cl)c2n1 20443893 HQMIVWPMXKBLDZ-UHFFFAOYSA-N 362.782 5.470 0 30 FKAC C=C(C)c1cc(C(=O)O)c(OCc2ccccc2)cc1OCc1ccccc1 58569512 GADYYKPUHQGBOT-UHFFFAOYSA-N 374.436 5.576 0 30 FKAC CCCCCCCCCCCCCCC/C=C/C[C@H](CC(=O)O)C(=O)O 111409344 OVQJAEGJPUEXQD-KBZZJAQTSA-N 368.558 6.590 0 30 FKAC CCO[C@@]1(c2ccccc2)SC(c2ccccc2)=NN1c1ccccc1 142236383 GUUNEWFFBJHSOE-QFIPXVFZSA-N 360.482 5.449 0 30 FKAC O=C(Nc1ccccc1)OCC1(COC(=O)Nc2ccccc2)CCCC1 608287 IRZVVDMCEZNNCW-UHFFFAOYSA-N 368.433 5.044 0 30 FKAC in-man c1ccc(-c2ccc(-c3cc(-c4ccccc4)nn3-c3ccccc3)cc2)cc1 2066691 UXULEMUGLTWZAC-UHFFFAOYSA-N 372.471 6.873 0 30 FKAC CN1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(C(F)(F)F)cc1 4377872 PELXYJMVHMDLKQ-HXUWFJFHSA-N 354.375 5.640 0 30 FKAC CCCCc1c(-c2ccc(C)cc2C)ccc2c1[C@@H](CCCC)C(=O)O2 96331681 BNAOQKULFPHAHL-OAQYLSRUSA-N 350.502 6.506 0 30 FKAC CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccccc3)o2)cc1 1035948 MISDKQPFELRXQE-UHFFFAOYSA-N 352.459 5.009 0 30 FKAC CN(C)c1ccc(C2O[C@H](c3ccccc3)C[C@@H](c3ccccc3)O2)cc1 1531861538 SJRMPIVJJKXQPC-GOTSBHOMSA-N 359.469 5.671 0 30 FKAC COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc1 1037034 CVBODMUKCAFWCU-HYBUGGRVSA-N 371.505 6.225 0 30 FKAC Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1cccc(Cl)c1 1045332 ORKWJAHJPTUEMB-NRFANRHFSA-N 367.901 6.029 0 30 FKAC CS(=O)(=O)c1cc(Cl)c(-c2ccc(Cl)cc2)c(Cl)c1Cl 6019535 MZLOIXKJSNAKPF-UHFFFAOYSA-N 370.084 5.371 0 30 FKAC CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1 3119792 GOOVRCVYQWRKGA-UHFFFAOYSA-N 357.910 5.607 0 30 FKAC O=C(O)CCCCCCCCCCCCCCCCCS(=O)(=O)O 5113079 SHSZDDUSTMLRBZ-UHFFFAOYSA-N 364.548 5.200 0 30 FKAC CC(C)c1cc(Cc2cc(C(C)C)cc(C(C)C)c2O)c(O)c(C(C)C)c1 38644516 VEQGPPAIMRVTQA-UHFFFAOYSA-N 368.561 7.182 0 30 FKAC CCCCCCCCCCCCCCCCCc1nc(C(=O)O)c[nH]1 111895443 NPSQOIASPSALLK-UHFFFAOYSA-N 350.547 6.522 0 30 FKAC CCCCCC[C@@H]1C=C[C@@H](CCCCCCCC(=O)O)C[C@H]1C(=O)O 100050821 RYKIXDBAIYMFDV-GUDVDZBRSA-N 352.515 5.665 0 30 FKAC CCCCCCCCCCCCCCCC/C=C/NC(=O)/C=C/C(=O)O 111900124 XIYWXKBSZXPHIL-LKRWSQIDSA-N 365.558 6.129 0 30 FKAC CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(F)cc3)cc2)CC1 263584088 JSLAYZBQHHXVJR-IYARVYRRSA-N 354.465 6.509 0 30 FKAC Nc1nc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cs1 1038817 URKCZGXGRQONQI-UHFFFAOYSA-N 351.258 5.278 0 30 FKAC Cc1cccc([C@H]2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)c1C 100494777 JFYKXFLSIZYLRY-HXUWFJFHSA-N 350.502 5.949 0 30 FKAC CCCN(CCC)CCSC(=O)C(c1ccccc1)c1ccccc1 2038310 WEXRVFDKZKSKQS-UHFFFAOYSA-N 355.547 5.200 0 30 FKAC in-man CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC[C@H]1CO1 217470818 ACYNJBAUKQMZDF-TVQFWRQISA-N 360.538 6.074 0 30 FKAC CC(=O)Nc1ccc(C)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 1033025 ZWANPRVMNGGNCI-UHFFFAOYSA-N 368.289 5.069 0 30 FKAC Fc1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c(Cl)c1 1047063 LPBSUQCTNIBYOS-UHFFFAOYSA-N 358.678 5.095 0 30 FKAC Cc1ccc([C@H](C)NC(=O)c2c(-c3ccccc3Cl)noc2C)c(C)c1 1024804 MYYYETIMRQBGSF-AWEZNQCLSA-N 368.864 5.411 0 30 FKAC Cc1cc(C(=O)CSc2nccc(-c3cccs3)n2)ccc1Cl 1032575 OZAXREBXYGQYDQ-UHFFFAOYSA-N 360.891 5.142 0 30 FKAC FC(F)(F)c1ccncc1-c1noc(-c2cc(Cl)cc(Cl)c2)n1 1042918 NWDJJLIXHAZVAJ-UHFFFAOYSA-N 360.122 5.124 0 30 FKAC Clc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1Cl 3126103 GAKHZHDADCDJAB-IBGZPJMESA-N 366.251 5.983 0 30 FKAC Cc1ccc(-c2nc3cc(C)c(C)cc3nc2-c2ccc(Cl)cc2)cc1 3179510 KSNWOTDXIGTOQL-UHFFFAOYSA-N 358.872 6.542 0 30 FKAC O=C(/C=C/c1cccc2ccccc12)N(C1CCCCC1)C1CCCCC1 3185756 QJAAIVDMBDZPLL-VHEBQXMUSA-N 361.529 6.347 0 30 FKAC COc1ccccc1C1CCN(Cc2ccc(Cl)cc2Cl)CC1 4321652 NBFBVQYZYYRFRH-UHFFFAOYSA-N 350.289 5.382 0 30 FKAC CCCC[C@H](CC)Cn1c2ccccc2c2ccc(Br)cc21 139973335 KUHJVARVXWNMAR-HNNXBMFYSA-N 358.323 6.773 0 30 FKAC O=C(Sc1ccc(C(F)(F)F)cn1)c1ccc(C(F)(F)F)cc1 1047655 FPMRRPQCKQOVQZ-UHFFFAOYSA-N 351.271 5.052 0 30 FKAC O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1Cl 1037295 IBNQBFUQMVEVQX-UHFFFAOYSA-N 373.843 5.445 0 30 FKAC COc1cc(Cl)c(C(F)(F)F)cc1NC(=O)c1ccccc1Cl 1048587 KGBIXCYSMBOUIG-UHFFFAOYSA-N 364.150 5.273 0 30 FKAC O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(Cl)cc1Cl 1048975 GIVYWGABHAEAKS-XGICHPGQSA-N 369.045 5.249 0 30 FKAC Cc1c(OCc2ccccc2)c(OCc2ccccc2)c(C)c2[nH]ccc12 22001077 WAVCHVOKLORIOO-UHFFFAOYSA-N 357.453 5.943 0 30 FKAC COc1ccc(Oc2cccc(Cl)c2CNC(=O)c2ccccc2)cc1 1024367 ZTSJHAHKDHQXNN-UHFFFAOYSA-N 367.832 5.071 0 30 FKAC O=C(CSc1ssc(=S)c1-c1ccccc1)c1ccccc1 2152660 BKCWPFVAVFJTCY-UHFFFAOYSA-N 360.550 6.181 0 30 FKAC C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@H]1C=C[C@@H]2O 108452608 YWHIUZLVKVDQAM-KJWQXZETSA-N 360.497 5.259 0 30 FKAC Cc1ccc2c(c1)CCCN2C(=S)Nc1cccc(C(F)(F)F)c1 1026776 ZVLFZXORGLUQOO-UHFFFAOYSA-N 350.409 5.163 0 30 FKAC CSc1nn(CSc2c(Cl)cccc2Cl)c(=S)s1 1047757 ZSYUWNYLLMPEOK-UHFFFAOYSA-N 355.362 5.453 0 30 FKAC COc1ccc([C@H]2[C@H]3CSc4ccccc4C3=NN2c2ccccc2)cc1 4376031 PBSPMOFTODQNBN-REWPJTCUSA-N 372.493 5.383 0 30 FKAC CCCCc1ccc(C(=O)Oc2ccc(-c3ccc(CCC)cc3)cc2)cc1 5832105 SUHTWRQMBLXNFP-UHFFFAOYSA-N 372.508 6.868 0 30 FKAC C[C@@H](NC(=O)c1sccc1OCc1ccc(Cl)cc1)c1ccccc1 306146996 RFZPGNRLOKVZJY-CQSZACIVSA-N 371.889 5.472 0 30 FKAC ON=C(c1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 254288712 NPGQDHORGPOZSS-CABCVRRESA-N 350.643 5.085 0 30 FKAC Cc1c(OCc2ccc(Cl)cc2Cl)ccc2c1OC(C)(C)CC2=O 1043290 XOGOAYFRBRJMBN-UHFFFAOYSA-N 365.256 5.625 0 30 FKAC O=C(O)c1ccccc1Nc1cc(Cl)c(Cl)c(Cl)c1Cl 45820292 DZIHHTQYIQEWMP-UHFFFAOYSA-N 351.016 5.742 0 30 FKAC O=[N+]([O-])c1ccc(/N=N/c2ccc3[nH]c4ccccc4c3c2)c(Cl)c1 6117852 SZVQEOMBVJZINC-QURGRASLSA-N 350.765 6.298 0 30 FKAC O=C(CCCCCCCCC(=O)OC1CCCCC1)OC1CCCCC1 5188827 OQCGQYSHNVXOJM-UHFFFAOYSA-N 366.542 5.859 0 30 FKAC O=C(C=C(C(F)(F)F)C(F)(F)F)c1c2ccccc2cc2ccccc12 1623445 PYROREKRSROOQY-UHFFFAOYSA-N 368.276 6.227 0 30 FKAC Oc1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1 2510824 BEHKYOVJBSHZRC-UHFFFAOYSA-N 366.485 6.832 0 30 FKAC CSc1cccc(/N=c2\ssc(SC)c2-c2ccccc2)c1 4377033 MTGQSFKWCRDQMQ-VLGSPTGOSA-N 361.582 6.153 0 30 FKAC O=C(ON=Cc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 254704050 DIQLGPYPJBTFJT-UHFFFAOYSA-N 365.816 5.110 0 30 FKAC O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCCc2ccccc21 1034667 YHHPFIVJTRNMRK-UHFFFAOYSA-N 358.441 5.250 0 30 FKAC CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@H]21 3831163 GECBBEABIDMGGL-RBUKOAKNSA-N 372.549 6.264 0 30 FKAC biogenic,in-man COc1ccc([C@@H]2[C@H]3CSc4ccccc4C3=NN2c2ccccc2)cc1 4376028 PBSPMOFTODQNBN-NZQKXSOJSA-N 372.493 5.383 0 30 FKAC CC1(C)[C@]2(C)CC[C@@]1(C(=O)O[C@@H]1/C=C\CCCCCCCCC1)OC2=O 100091182 LIBXEFHIEGCCRU-ZOSPKRACSA-N 362.510 5.101 0 30 FKAC C[C@H](NC(=O)CCc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1 214495576 ZZUYQIKCSITLIO-HNNXBMFYSA-N 371.402 5.669 0 30 FKAC Cn1nc(-c2ccccc2)c(C=Nc2cccc(C(F)(F)F)c2)c1Cl 254713575 LRDXVTRKTAHMNB-UHFFFAOYSA-N 363.770 5.510 0 30 FKAC C[C@@H](Oc1ccccc1-c1ccccc1)c1nnc(S)n1-c1ccccc1 1037105 PKNZXNZKQODKJU-MRXNPFEDSA-N 373.481 5.363 0 30 FKAC Fc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1 1037041 CVDXAAYWVCQGOR-JTSKRJEESA-N 361.441 5.802 0 30 FKAC O=C1c2ccccc2C(=Cc2ccc(C(F)(F)F)cc2)c2ccccc21 2155464 BFMVWXQTGYNUFK-UHFFFAOYSA-N 350.339 5.839 0 30 FKAC CC(C)(COCc1cccc(Cc2ccccc2)c1)c1ccc(Cl)cc1 33884452 UWNDANYZAJMRGB-UHFFFAOYSA-N 364.916 6.425 0 30 FKAC Cc1cc(C)c2cc(C(=O)N(Cc3ccccc3)Cc3ccccn3)[nH]c2c1 1033796 ATZIODUMPMPVFL-UHFFFAOYSA-N 369.468 5.022 0 30 FKAC CCCCc1ccc(NC(=O)NCc2csc3ccccc23)c(C)c1 4371495 ZRQOBIXYPOOGTM-UHFFFAOYSA-N 352.503 5.874 0 30 FKAC c1ccc(-c2ccc(C3=Nn4c(nnc4-c4cccs4)SC3)cc2)cc1 1035378 WAYXXANMOSKOGB-UHFFFAOYSA-N 374.494 5.032 0 30 FKAC c1ccc(SCCCNCCC(c2ccccc2)c2ccccc2)cc1 4217577 NUWWGCMQIKROIJ-UHFFFAOYSA-N 361.554 5.981 0 30 FKAC in-man C[C@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2c1CCC=C2 201569063 VPQWHHXHXLLCGV-INIZCTEOSA-N 359.435 5.948 0 30 FKAC Clc1ccc(Nc2nc(-c3cc(-c4ccccc4)no3)cs2)cc1 3155313 PLFUKQNWMNKKIR-UHFFFAOYSA-N 353.834 5.862 0 30 FKAC C[Si](C)(C)C1=CC([Si](C)(C)C)([Si](C)(C)C)C=C1[Si](C)(C)C 195780456 JDTXWWPLNWPLQX-UHFFFAOYSA-N 354.835 6.564 0 30 FKAC COc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(O)c1 984732 MJIHVLNAIDXQTF-JOCHJYFZSA-N 361.466 5.759 0 30 FKAC C[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 1024760 KMZYEKYHJBROPY-SNVBAGLBSA-N 361.285 5.215 0 30 FKAC Sc1nnc(CSCc2cccc3ccccc23)n1-c1ccccc1 1043351 LNEIXPKLGSHCMO-UHFFFAOYSA-N 363.511 5.143 0 30 FKAC COc1ccc(OCc2nc(-c3sc4ccccc4c3C)cs2)cc1 1046830 YPSQGSWWLDIZCN-UHFFFAOYSA-N 367.495 5.921 0 30 FKAC Clc1cccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 2568321 JHJMZCXLJXRCHK-UHFFFAOYSA-N 360.882 7.274 0 30 FKAC in-vitro Cc1ccc(-n2cccc2)c(NC(=S)Nc2c(C)cccc2Cl)c1 1046696 QMIGJCJHHQTYAA-UHFFFAOYSA-N 355.894 5.556 0 30 FKAC Cc1onc(-c2c(Cl)cccc2Cl)c1CSC(=S)N(C)C 1048712 UEYMDKYXYGGVLW-UHFFFAOYSA-N 361.319 5.037 0 30 FKAC CCN(CC)c1ccc([C@@]2(c3ccc(C)cc3)OC(=O)c3ccccc32)cc1 111895020 ITVGBYWULHOXRJ-RUZDIDTESA-N 371.480 5.304 0 30 FKAC FC(F)(F)c1ccc(-c2nc(-c3cc(-c4ccccc4)no3)cs2)cc1 1031602 NTGYWOGEGGQQKD-UHFFFAOYSA-N 372.371 6.151 0 30 FKAC Fc1cccc(Cn2c(C=Cc3ccccc3Cl)nc3ccccc32)c1 2265278912 WRILPPLBMKRYJC-UHFFFAOYSA-N 362.835 6.048 0 30 FKAC Clc1cc(Cl)c(Nc2nc3c(s2)Cc2ccccc2-3)cc1Cl 4322075 ZAASHKVLMBXIQU-UHFFFAOYSA-N 367.688 6.418 0 30 FKAC CCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C 38656958 FPMPNVIMFPEKRN-UHFFFAOYSA-N 368.646 8.227 0 30 FKAC O=C(Nc1cc2cc(Cl)cc(Cl)c2oc1=O)c1ccc(Cl)cc1 42837104 LWCLMHSLNQFRMH-UHFFFAOYSA-N 368.603 5.006 0 30 FKAC Cn1nc(-c2ccccc2)c(C=Nc2ccc(F)c(Cl)c2F)c1Cl 254620019 HRGAWQNKTLJYOK-UHFFFAOYSA-N 366.198 5.423 0 30 FKAC Clc1ccc(SCc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 2161285 CTIOVYKOXSWYKZ-UHFFFAOYSA-N 350.874 6.176 0 30 FKAC CCCC[C@H](CC)COC(=O)CCCOc1ccc(Cl)cc1Cl 5822101 HHWWAFPHDKZSKB-AWEZNQCLSA-N 361.309 5.912 0 30 FKAC COc1cc(OCc2ccccc2)ccc1CN1CCCc2cc(C)ccc21 1032684 ZPFJOLGPWVMRGQ-UHFFFAOYSA-N 373.496 5.535 0 30 FKAC Clc1ccc(OCc2ncc(-c3ccc4c(c3)OCCCO4)s2)cc1 4394871 PTNFSCZAJHNISA-UHFFFAOYSA-N 373.861 5.204 0 30 FKAC FC(F)(F)c1cnc(COc2ccc(Cl)cc2Cl)c(Cl)c1 1028208 XMBRRPNPJWUJCJ-UHFFFAOYSA-N 356.558 5.640 0 30 FKAC COc1ccccc1[C@H]1CC(c2ccccc2O)=Nc2ccccc2S1 1043795 COQMYOKLDGRWKY-JOCHJYFZSA-N 361.466 5.759 0 30 FKAC CCc1ccc(/C(=C(\Br)c2ccccc2)c2ccccc2)cc1 8214508 OQCYTSHIQNPJIC-DQRAZIAOSA-N 363.298 6.561 0 30 FKAC in-man FC(F)Oc1cccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 1047028 SMFPKOVGDPKSHY-UHFFFAOYSA-N 371.330 6.097 0 30 FKAC Cc1ccccc1[C@@H]1Sc2ccccc2N=C2c3ccccc3SC[C@@H]21 4343866 HUVJQMFYZLUDNR-MBSDFSHPSA-N 373.546 6.685 0 30 FKAC COc1cc2[nH]c3c(C/C=C(\C)CCC=C(C)C)c(O)ccc3c2cc1C 15206004 RTEIBQDXHHQYRJ-CXUHLZMHSA-N 363.501 6.579 0 30 FKAC endogenous,in-man CCCCCC[C@H](O)C[C@H](Cl)[C@@H](Cl)CCCCCCCC(=O)O 256087800 AODBHFIRNOOMDL-ULQDDVLXSA-N 369.373 5.738 0 30 FKAC Cc1cc(C)cc(NC(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 1033268 FHOIMCZVYXHUIL-UHFFFAOYSA-N 374.366 5.152 0 30 FKAC Cc1ccc(SCc2ccc(C(=O)Nc3ccc(C)cc3O)cc2)cc1 1037881 MWQZATWQEZQVAS-UHFFFAOYSA-N 363.482 5.554 0 30 FKAC Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(Cl)cc2Cl)c(C)c1C 1048731 YXGLMTZVWYKQGI-UHFFFAOYSA-N 372.317 5.336 0 30 FKAC O=C(Nc1ccc(F)cc1)[C@@H](Sc1ccc(Cl)cc1)c1ccccc1 3135203 FTSCUVSWGHFKKN-IBGZPJMESA-N 371.864 5.951 0 30 FKAC N=c1scc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1Cl 4306928 YOQSKXPKSCJVKE-UHFFFAOYSA-N 355.677 5.645 0 30 FKAC Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccc3c(c2)OCO3)cc1 4371702 HRUAGARLNLHWIZ-OAQYLSRUSA-N 356.425 5.079 0 30 FKAC CCCCc1c(-c2ccc(C)cc2C)ccc2c1[C@H](CCCC)C(=O)O2 100050485 BNAOQKULFPHAHL-NRFANRHFSA-N 350.502 6.506 0 30 FKAC CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C=CCC[C@]4(C)[C@H]3CC[C@@]21C 118930540 SFBMPHLOQAKIBY-CJPSHIORSA-N 370.665 8.274 0 30 FKAC O=C(Nc1ccccc1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F 1043886 YOPWOMIHFWZUBT-UHFFFAOYSA-N 365.738 5.871 0 30 FKAC C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@@]21C 33820809 FEGCPHIPSRBREU-HVATVPOCSA-N 374.565 5.283 0 30 FKAC Fc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1 4343830 IKWVUZFIWHXYBO-CVDCTZTESA-N 359.469 6.356 0 30 FKAC CCCCCCCCCCCCCCCCCC[C@@H](C)[C@H](C)C(=O)OC 141692441 QNAJTCHFJVPQHR-PKTZIBPZSA-N 368.646 8.083 0 30 FKAC Clc1ccc2c(c1Cl)Oc1c(Cl)c(Cl)cc(Cl)c1O2 5784471 KLLFLRKEOJCTGC-UHFFFAOYSA-N 356.419 6.852 0 30 FKAC O=C(Sc1ccc(C(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 3119952 MFKQICNEOCJQJE-UHFFFAOYSA-N 366.282 5.537 0 30 FKAC CC(C)=CCc1cccc2c(C(C)(C)/C=C/c3ccc4cc[nH]c4c3)c[nH]c12 223751673 QLEWZPONEOHLMI-WYMLVPIESA-N 368.524 7.149 0 30 FKAC O=C(Nc1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 1034301 DYJWZMATIGUHGA-UHFFFAOYSA-N 355.385 5.011 0 30 FKAC Cc1cc(C)c(Nc2ncc(-c3ccc4c(c3)OCCCO4)s2)c(C)c1 4366096 GIJKWLIMBJHTQT-UHFFFAOYSA-N 366.486 5.640 0 30 FKAC Cc1cc(-c2onc(C)c2C(=O)Sc2c(Cl)cccc2Cl)no1 1047744 RVYIIWPNNLOQNK-UHFFFAOYSA-N 369.229 5.186 0 30 FKAC COc1ccccc1C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 4321654 KXFYGCOGCADHLM-UHFFFAOYSA-N 350.289 5.382 0 30 FKAC CC/C(=C(\c1ccccc1)c1ccc(OCCNC)cc1)c1ccc(O)cc1 22056302 KLPBCGLMGLFHNY-IZHYLOQSSA-N 373.496 5.360 0 30 FKAC in-vitro O=C(C[C@@H](C(=O)c1ccccc1)c1cccs1)c1ccc(Cl)cc1 1043109 SLBCSDIPOZQOJZ-QGZVFWFLSA-N 354.858 5.641 0 30 FKAC CCOc1cc(-c2ccccc2)nc(SCc2c(F)cccc2Cl)n1 3179870 FQAQZOZRKIWWAL-UHFFFAOYSA-N 374.868 5.627 0 30 FKAC Fc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4OC[C@H]32)cc1 4343850 CVDXAAYWVCQGOR-VGOFRKELSA-N 361.441 5.802 0 30 FKAC O=c1c(Cc2ccc(Cl)cc2)c(-c2ccccc2)sc2ccccc12 4344309 QNZCJYJTHDCLIS-UHFFFAOYSA-N 362.881 6.173 0 30 FKAC CC(C)=CC[C@@H](CC[C@H](C)C(=O)O)c1coc(-c2cc(O)ccc2O)c1 223702134 VCDSBBIDUCDNJF-GJZGRUSLSA-N 358.434 5.299 0 30 FKAC Cc1c(C)c(C)c(CSCC(=O)Nc2ccc(F)cc2F)c(C)c1C 1040914 CPOBUMNTDKYKEK-UHFFFAOYSA-N 363.473 5.379 0 30 FKAC Cc1cc(C)c2c(-n3cccc3)c(C(=O)c3ccc(Cl)cc3)sc2n1 1042435 MVGGXAHLWXDNDO-UHFFFAOYSA-N 366.873 5.588 0 30 FKAC c1ccc(CCCN(CCCc2ccccc2)CCCc2ccccc2)cc1 59371606 GNVPWZYSAKXMIR-UHFFFAOYSA-N 371.568 6.187 0 30 FKAC Cc1cc(OC(=O)c2c(Cl)cccc2Cl)c(Cl)c(C)c1Cl 2161168 KAFPYVXDVLVHOX-UHFFFAOYSA-N 364.055 6.136 0 30 FKAC Clc1ccc(-c2csc(-c3ccc4c(c3)OCCO4)n2)cc1Cl 1025390 FNSCCCSNFAMHOS-UHFFFAOYSA-N 364.253 5.555 0 30 FKAC C[C@@H]1CC(C2=[N+](C)c3ccccc3C2(C)C)=NN1c1ccccc1Cl 38635727 KYVFAYFQFWMOJR-CQSZACIVSA-N 352.889 5.001 0 30 FKAC ON=C(c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 254288722 NPGQDHORGPOZSS-LSDHHAIUSA-N 350.643 5.085 0 30 FKAC Clc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C[C@@H]32)cc1 4343914 NXJOEMUMGLDHJB-AVRDEDQJSA-N 361.897 6.480 0 30 FKAC CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 13478185 PJPBVOAEXHKPAB-WOJBJXKFSA-N 370.577 7.251 0 30 FKAC COc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)o2)cc1 1048625 KDXCDQBOFXHCCU-UHFFFAOYSA-N 373.861 5.486 0 30 FKAC CSc1cccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1 4323847 VOBZTRLVMYTHFL-UHFFFAOYSA-N 358.850 5.278 0 30 FKAC FC(F)(F)Oc1ccc2nc(C=Cc3ccco3)c3c(c2c1)SCC3 2265279421 XTTLYQJIBNYKKL-UHFFFAOYSA-N 363.360 5.545 0 30 FKAC Clc1ccc(-c2cnc(SCc3c(Cl)cccc3Cl)o2)cc1 3119936 ULBCIUPQSMPCAS-UHFFFAOYSA-N 370.688 6.594 0 30 FKAC FC(F)(F)c1cccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)c1 3134037 PIEQVFLPVABUSP-UHFFFAOYSA-N 359.134 5.729 0 30 FKAC CCCN(CCC)CC(=O)Nc1c(C)cc(Oc2ccccc2)cc1C 2018194 RSUWQAVSPOGTFD-UHFFFAOYSA-N 354.494 5.156 0 30 FKAC CCC[C@H]1CC[C@H](C(=O)Oc2ccc([C@H]3CC[C@H](CCC)CC3)cc2)CC1 329051919 UZJWKZVGCKRFQL-CTOYOCAESA-N 370.577 7.272 0 30 FKAC COc1ccc([C@H]2[C@@H]3CSc4ccccc4C3=NN2c2ccccc2)cc1 4376027 PBSPMOFTODQNBN-OFNKIYASSA-N 372.493 5.383 0 30 FKAC Cc1nc(C(F)(F)F)c(C(=O)Sc2cccc(C(F)(F)F)c2)s1 4394868 JXYSXYDYVQRVPH-UHFFFAOYSA-N 371.327 5.422 0 30 FKAC CC(C)CCCCCCCCCCCCCCCOC(=O)c1ccccc1 113382710 BDEHGQOUMOLWCN-UHFFFAOYSA-N 374.609 7.961 0 30 FKAC O=C(Oc1ccccc1)c1cc2c(s1)-c1cc(Cl)ccc1SC2 1039432 UPFOEBXCHYOITD-UHFFFAOYSA-N 358.871 5.893 0 30 FKAC Clc1c(Cl)c(Cl)c2c(oc3c(Cl)ccc(Cl)c32)c1Cl 5784902 KFFUZIROJGXTQH-UHFFFAOYSA-N 374.865 7.506 0 30 FKAC CCCC[C@H](CC)C(=O)OCC(C)(C)COC(=O)[C@H](CC)CCCC 31879685 GORMSINSWZJIKL-HDICACEKSA-N 356.547 5.532 0 30 FKAC Clc1cccc(-c2nnn(Cc3c(Cl)cccc3Cl)n2)c1Cl 1044955 QMDSIIQOOJWWKZ-UHFFFAOYSA-N 374.058 5.002 0 30 FKAC CC(C)=CCC[C@@H](C)CC(n1ccc2ccccc21)n1ccc2ccccc21 5141692 RYWJPLGWOMDLNH-OAQYLSRUSA-N 370.540 7.416 0 30 FKAC Clc1cccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C[C@H]32)c1 4343905 WXBPCAALBKLWFH-GCJKJVERSA-N 361.897 6.480 0 30 FKAC OCc1ccc(-c2ccc(-c3ccc(-c4ccc(CO)cc4)cc3)cc2)cc1 223485209 CLXUUNBBAOZNII-UHFFFAOYSA-N 366.460 5.672 0 30 FKAC Cc1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1C 34330502 XSRQYQRFQNGZKR-UHFFFAOYSA-N 354.342 5.948 0 30 FKAC C=CC(=O)OCCCCCCCCCCCCCCCCCC(C)C 38656331 JWGFUZXFJMCXON-UHFFFAOYSA-N 352.603 7.613 0 30 FKAC Clc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1 4324239 KICAOIGOCAEZOA-UHFFFAOYSA-N 350.668 5.893 0 30 FKAC CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1cccs1 13465835 TVMPTDDDIVIKTA-HOJAQTOUSA-N 355.547 5.851 0 30 FKAC Cc1cc2nc(C=Cc3ccccc3)n(Cc3cccc(F)c3)c2cc1C 2265276921 UNJQCZAYSGTECC-UHFFFAOYSA-N 356.444 6.011 0 30 FKAC Cc1onc(-c2c(Cl)cccc2Cl)c1[C@@H](O)c1ccc(F)cc1 1048968 VGZNMMFZBPVJTO-KRWDZBQOSA-N 352.192 5.178 0 30 FKAC O=C(Cc1ccc(Br)cc1)c1ccc2c(c1)Cc1ccccc1-2 2159222 FTJGAKJRSSADPN-UHFFFAOYSA-N 363.254 5.446 0 30 FKAC Cc1ccc(C(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)cc1 1034040 NYTPDYGZLFNYOM-UHFFFAOYSA-N 360.457 5.732 0 30 FKAC Cc1ccc(C)c(NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)c1 1037265 BNLKWYLAWUIWNI-UHFFFAOYSA-N 359.709 6.073 0 30 FKAC C[C@H](Cc1ccccc1)NP(=O)(Oc1ccccc1)Oc1ccccc1 1615659 POARXUUKTQVRQQ-GOSISDBHSA-N 367.385 5.473 0 30 FKAC O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1csc2ccccc12 1033562 CIAFJGWWANOTQG-UHFFFAOYSA-N 360.438 6.338 0 30 FKAC CCCC(=O)N1c2ccccc2N=C(c2ccccc2)C[C@H]1c1ccccc1 1043919 WECJHNKFMMLWRT-DEOSSOPVSA-N 368.480 6.086 0 30 FKAC C=C(C(=O)O)[C@@H](CCCCCCCCCCCCCC[C@@H](C)O)C(=O)O 14454698 HJXLPGSJISFNMG-IEBWSBKVSA-N 370.530 5.170 0 30 FKAC biogenic O=C(CSc1ccc(C(F)(F)F)cn1)c1cccc(C(F)(F)F)c1 1024985 MTZUPQYSAZBGKP-UHFFFAOYSA-N 365.298 5.094 0 30 FKAC CNc1cccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c12 32289160 SMBONASSNFDWML-UHFFFAOYSA-N 359.472 7.369 0 30 FKAC CC1(C)CCC(C)(C)c2cc(CBr)c(Br)cc21 143544068 JLWXXXTUYQNILX-UHFFFAOYSA-N 360.133 5.693 0 30 FKAC CC(=O)c1ccc(OCc2ccccc2)c(C)c1OC(=O)c1cccs1 1043144 ORUDJGXVACXXER-UHFFFAOYSA-N 366.438 5.057 0 30 FKAC CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccccc2OC(F)(F)F)cc1 4390553 DWWOTGBTWCTIGN-CQSZACIVSA-N 365.395 5.526 0 30 FKAC CC(C)(C)c1ccc(Oc2ccc(NC(=O)c3cccs3)cn2)cc1 1034036 RSZCEIOLVSQGKM-UHFFFAOYSA-N 352.459 5.485 0 30 FKAC Cc1cc(C)cc(N=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1 254483755 RSJMQEONJHMPRW-UHFFFAOYSA-N 374.871 5.624 0 30 FKAC O=C(NCc1ccc(Cl)cc1Cl)c1cc2cc(Cl)ccc2[nH]1 1034299 ZUXRJBHJPIGLSM-UHFFFAOYSA-N 353.636 5.058 0 30 FKAC CCC(=O)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1ccccc1 1043918 QANWFXLRXJOXFE-HSZRJFAPSA-N 354.453 5.695 0 30 FKAC O=C(Nc1ccc(Cl)cc1OC(F)(F)F)c1ccc(Cl)cc1 1046459 KTIBCNRJFLKVOV-UHFFFAOYSA-N 350.123 5.144 0 30 FKAC O=P(OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1 1594294 OACSUWPJZKGHHK-UHFFFAOYSA-N 368.369 5.745 0 30 FKAC Cc1c(C2=C(c3c(C)n(C)c4ccccc34)CCCC2)sc2ccccc12 204976779 YFZFDJWITWDQCU-UHFFFAOYSA-N 371.549 7.495 0 30 FKAC S=C(Nc1ccccc1)N(Cc1ccccc1)c1cccc2ccccc12 1037152 KCLMSKAEQBFEQQ-UHFFFAOYSA-N 368.505 6.243 0 30 FKAC Cc1nc(C(F)(F)F)nc(Sc2cccc(C(F)(F)F)c2)c1C 1031516 DVAAOOJGQWUFIW-UHFFFAOYSA-N 352.303 5.282 0 30 FKAC O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Sc1cccs1 1037654 SOQPBSSFSKISPG-UHFFFAOYSA-N 364.854 5.339 0 30 FKAC CC[n+]1c(/C=C2/C=C3C=C(N(C)C)CC[C@@H]3CC2)sc2ccccc21 39440325 YFHPBDIGHHILSA-KRWDZBQOSA-N 351.539 5.168 0 30 FKAC Cc1ccc(Sc2ncccc2NC(=O)c2cccc3ccccc23)cc1 1043453 RTAYVKZFHMLBSI-UHFFFAOYSA-N 370.477 5.947 0 30 FKAC Clc1ccc(OCc2nc(-c3cc(-c4ccccc4)no3)cs2)cc1 3155314 WOPALYWAUGVGOI-UHFFFAOYSA-N 368.845 5.698 0 30 FKAC FC(F)(F)c1ccc(-c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 4395011 YSPPCRXXIIJOMG-UHFFFAOYSA-N 363.448 6.297 0 30 FKAC CCCCCCNc1cc(NCc2ccccc2)n2ncc(C(C)C)c2n1 575319710 RGBNZILVUGVYEF-UHFFFAOYSA-N 365.525 5.457 0 30 FKAC Nc1sc(-c2ccccc2)cc1-c1n[nH]c(=S)n1C1CCCCC1 13658543 JNKAQAPVOKSRMK-UHFFFAOYSA-N 356.520 5.424 0 30 FKAC CCCCCC[C@@H]1C=C[C@@H](CCCCCCCC(=O)O)[C@@H](C(=O)O)C1 38655530 JMUKALCRCFJQTI-QRVBRYPASA-N 352.515 5.665 0 30 FKAC Cc1ccc([C@@H]2CN=N[C@@]23C(=O)c2ccccc2O[C@H]3c2ccccc2)cc1 4343414 NAICJOWMLQHUQW-NKKJXINNSA-N 368.436 5.300 0 30 FKAC C[C@H](Oc1ccccc1-c1ccccc1)c1nnc(S)n1-c1ccccc1 1037104 PKNZXNZKQODKJU-INIZCTEOSA-N 373.481 5.363 0 30 FKAC ClC1=CC(c2ccccc2)=C(Cl)C(Cl)(Cl)C1(Cl)Cl 2265362022 TZWFBLAIVAAJPY-UHFFFAOYSA-N 362.898 6.121 0 30 FKAC Clc1ccc(C(=CCCc2ccccc2)c2ccc(Cl)cc2)cc1 3129294 QZQSEHJKWOXPJR-UHFFFAOYSA-N 353.292 7.058 0 30 FKAC CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@]1(C)CCc2ccccc2O1 299803572 ZKMUFXANNOXADS-ZEVJAHDQSA-N 372.637 8.209 0 30 FKAC Fc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc1 4343828 IKWVUZFIWHXYBO-XXBNENTESA-N 359.469 6.356 0 30 FKAC CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C)CC1 5550842 HOQSLFZFFMMYMC-IAGOWNOFSA-N 371.565 5.972 0 30 FKAC O=c1c2ccccc2c(-c2cc(Cl)cc(Cl)c2)nn1-c1ccccc1 4366811 QLVMIGRUWQSBBL-UHFFFAOYSA-N 367.235 5.360 0 30 FKAC Clc1ccc(Oc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 33868577 FFNLKVDSJPIJAN-UHFFFAOYSA-N 359.816 5.651 0 30 FKAC Cc1oc(C(C)(C)C)cc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 1047061 SCFMHJKVADESRC-UHFFFAOYSA-N 366.339 5.501 0 30 FKAC O=C(CC=NOCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 254757783 DWLAPAUAIACWEG-UHFFFAOYSA-N 356.636 5.422 0 30 FKAC CCCC1CCC([C@H]2CC[C@H](c3ccc(OCC)c(F)c3F)CC2)CC1 299803235 CFJCNWQXOICKIF-NZKYNAJMSA-N 364.520 7.244 0 30 FKAC O=C(c1cccs1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 1035041 IFTMMPSISDXONW-QGZVFWFLSA-N 359.903 5.251 0 30 FKAC COc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1OC1CCCC1 1040097 PEYBSVPRFTYXKW-UHFFFAOYSA-N 370.836 5.387 0 30 FKAC Cc1ccc(C(=O)C[C@H](Sc2ccccc2N)c2ccsc2)cc1 1046036 PSCQMLDSVXTISV-FQEVSTJZSA-N 353.512 5.745 0 30 FKAC Clc1cccc(Cl)c1SCSc1c(Cl)cccc1Cl 2168538 AVTCJJLHTGALOJ-UHFFFAOYSA-N 370.153 7.142 0 30 FKAC Cc1cccc(C(=O)O)c1N(C(=O)c1ccccc1)c1ccccc1Cl 143538983 UMOSFTWDIWDBOA-UHFFFAOYSA-N 365.816 5.325 0 30 FKAC CCOc1ccc(Br)cc1C=Cc1nc2ccccc2s1 2265278866 JHTZMJFEQFZMJX-UHFFFAOYSA-N 360.276 5.628 0 30 FKAC O=C(Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccco1 1023321 FTDIMBZNNZDAQH-UHFFFAOYSA-N 363.291 5.223 0 30 FKAC c1csc(-c2cncc(-c3nnc(-c4cccc5ccccc45)o3)c2)c1 1034138 YAEXDACPYFYYQG-UHFFFAOYSA-N 355.422 5.680 0 30 FKAC CCCCCc1ccc(-c2n[nH]c(SCC(=O)c3ccccc3)n2)cc1 3046103 QWZFHFYONXONMB-UHFFFAOYSA-N 365.502 5.179 0 30 FKAC Clc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1Cl 3126104 GAKHZHDADCDJAB-LJQANCHMSA-N 366.251 5.983 0 30 FKAC CC(C)(C)c1cc(-c2csc(-c3ccno3)n2)cc(C(C)(C)C)c1O 1047021 KBQPLMGPKDLAMJ-UHFFFAOYSA-N 356.491 5.766 0 30 FKAC FC(F)(F)Oc1ccc(SCc2c(Cl)cccc2Cl)cc1 2157139 QRZXLPVKQRXTNZ-UHFFFAOYSA-N 353.192 6.184 0 30 FKAC Cc1onc(-c2ccccc2)c1-c1csc(-c2ccc(Cl)cc2)n1 1031700 RBAJUPRLRBMNCH-UHFFFAOYSA-N 352.846 6.094 0 30 FKAC CSc1sc(C(=O)OC2CCCCC2)c2c1C(=O)CC(C)(C)C2 1037833 ZYPKIVVNFSUTMP-UHFFFAOYSA-N 352.521 5.115 0 30 FKAC C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820886 AZFLHSKQKSZOET-NWFSOSCSSA-N 374.565 5.283 0 30 FKAC Cc1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)c(Cl)c2)cc1Cl 1026708 ZVBZDNCMTOBXBP-MRXNPFEDSA-N 372.704 5.734 0 30 FKAC O=C(C[C@H](C(=O)c1cccnc1)c1cccs1)c1ccc(Cl)cc1 1043110 REYXUZPEDDIYDH-INIZCTEOSA-N 355.846 5.036 0 30 FKAC Cc1oc(C(C)(C)C)cc1C(=O)NCc1csc(-c2cccs2)n1 4389381 SJAUEIGHIUGINF-UHFFFAOYSA-N 360.504 5.001 0 30 FKAC N#COc1ccc([C@H]2C[C@@H]3C[C@H]2[C@@H]2C[C@H](c4ccc(OC#N)cc4)C[C@@H]32)cc1 214710090 ZYDCNZOJNSJLMS-YQNFLSFGSA-N 370.452 5.340 0 30 FKAC CCCCC[C@H]1CC[C@H](C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1 2265362061 TXHFUCYJBLLNIG-POSCCBCBSA-N 366.511 7.764 0 30 FKAC COc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 1046831 MQFJUBVEENNCFJ-UHFFFAOYSA-N 365.376 5.417 0 30 FKAC O=[N+]([O-])c1ccc(OCC2=C(Cl)c3cc(Cl)ccc3SC2)cc1 1039484 YNATVISEQPCJTE-UHFFFAOYSA-N 368.241 5.383 0 30 FKAC CCCCCC[C@@H](C)OC(=O)COc1cc(Cl)c(Cl)cc1Cl 2382708 LNNVYVOLCDEYEU-LLVKDONJSA-N 367.700 5.928 0 30 FKAC biogenic,in-vitro O=C(SCc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 4323380 PVHFUMKVFODABV-UHFFFAOYSA-N 365.203 6.086 0 30 FKAC O=Cc1ccccc1OCCCCCCCCOc1ccccc1C=O 196578151 YHGVQYTZPXCUGC-UHFFFAOYSA-N 354.446 5.110 0 30 FKAC O=c1c(O)cc2ccc(C=Cc3ccccc3)nc2cc1-c1ccccc1 2265383460 DKLSXLGYIVNOAH-UHFFFAOYSA-N 351.405 5.138 0 30 FKAC Cc1c(-c2csc(COc3ccccc3Cl)n2)sc2ccccc12 4390756 QPFYSUMPPRIUSI-UHFFFAOYSA-N 371.914 6.566 0 30 FKAC O=C(Sc1c(Cl)cccc1Cl)c1ccc(OC(F)(F)F)cc1 4394537 HRSHTOSZGGAWFR-UHFFFAOYSA-N 367.175 5.825 0 30 FKAC CCN(CC)c1nc(-c2ccc(Cl)cc2)nc(N(CC)CC)c1Cl 36047512 CERCDFNJTFNYOO-UHFFFAOYSA-N 367.324 5.143 0 30 FKAC CCO[P@](=O)(CCCCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 5862391 YSTLIYOIWSLSIK-RUZDIDTESA-N 363.350 5.226 0 30 FKAC C[C@@H](CCOC(=O)/C=C\C(=O)OCC[C@H](C)CC(C)(C)C)CC(C)(C)C 44709685 ZVGNLPOWWIWPER-WBNOOXNUSA-N 368.558 5.554 0 30 FKAC Cc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)c(Cl)c2)cc1Cl 1026710 ZVBZDNCMTOBXBP-INIZCTEOSA-N 372.704 5.734 0 30 FKAC Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 1042055 DTRRFYNBBLHQCN-NRFANRHFSA-N 367.901 6.029 0 30 FKAC C[C@H]1CN=C(N(C(=O)Nc2ccc(Cl)cc2)[C@@H](C)c2ccccc2)S1 1044147 ANLUEOGLPRCYTA-KBPBESRZSA-N 373.909 5.426 0 30 FKAC Cc1ccc(N=c2oc3ccccc3cc2C(=O)Nc2ccc(C)cc2)cc1 254616947 HTJOKUCLHWEIAH-UHFFFAOYSA-N 368.436 5.534 0 30 FKAC Cc1nc(C)c(Oc2ccc(Cl)cc2Cl)c(N2CCCCC2)n1 1047920 MGDAQRCITCDRMI-UHFFFAOYSA-N 352.265 5.183 0 30 FKAC FC(F)(F)c1cccc(CON=C2COc3ccc4ccccc4c32)c1 5518483 ZVBCAQKNDXIZNR-UHFFFAOYSA-N 357.331 5.172 0 30 FKAC O=C(Nc1ccccc1)Nc1ccc(Cl)cc1SCc1ccccc1 1040910 YXAPZVQBYUPABW-UHFFFAOYSA-N 368.889 6.276 0 30 FKAC CC(C)(C=NOCc1ccc([N+](=O)[O-])cc1)Sc1ccc(Cl)cc1 254571192 SVVSAJYUXGFDRX-UHFFFAOYSA-N 364.854 5.322 0 30 FKAC CC(C)(C)c1ccc(NC(=O)Nc2ccccc2N2CCCCC2)cc1 1034017 HCDZRTZJKWJJJX-UHFFFAOYSA-N 351.494 5.618 0 30 FKAC O=C(Nc1ccccc1)c1cc2c(s1)-c1cc(Cl)ccc1SC2 1039431 VLNIDXUXZYTEIN-UHFFFAOYSA-N 357.887 5.927 0 30 FKAC COc1cc(CCCCCc2cc(OC)c(C)cc2OC)c(OC)cc1C 4343955 NAAINCOKNFGHAM-UHFFFAOYSA-N 372.505 5.293 0 30 FKAC Clc1ccc(CSc2nnc(Nc3ccc(Cl)cc3)s2)cc1 4377448 SKAOLFKESPJZNU-UHFFFAOYSA-N 368.314 5.881 0 30 FKAC COc1ccc2cc([C@@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2c1 1046288 NNGYKXDLDSEIEI-GFCCVEGCSA-N 374.267 5.897 0 30 FKAC CCCc1ccc(C(=S)NC2c3ccccc3Oc3ccccc32)cn1 991332 KYAHXMUCDGGANA-UHFFFAOYSA-N 360.482 5.195 0 30 FKAC Clc1ccc([C@@H](c2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1 1599361 LMNGXUAFBMMCLT-ZDUSSCGKSA-N 354.491 6.496 0 30 FKAC O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(Cl)(Cl)Cl 3162280 ADIHTTMPLFMPBK-UHFFFAOYSA-N 374.495 5.033 0 30 FKAC O=C(Sc1c(Cl)cccc1Cl)c1ccccc1OC(F)(F)F 3046494 JOUPBNNXZDJWSU-UHFFFAOYSA-N 367.175 5.825 0 30 FKAC CC(C)c1ccc(NC(=O)CSc2nccc(-c3cccs3)n2)cc1 4324994 UUBHDKPSKIQBFE-UHFFFAOYSA-N 369.515 5.059 0 30 FKAC Clc1cccc(Cl)c1Cn1nnc(-c2c(Cl)cccc2Cl)n1 1027305 KFKNMZATUMVGDZ-UHFFFAOYSA-N 374.058 5.002 0 30 FKAC CSc1sc(SC)c(-c2ccccc2)c(=O)c1-c1ccccc1 15444004 DAHAOYUEQTUWCG-UHFFFAOYSA-N 356.537 5.886 0 30 FKAC CC(C)CCCCCOC(=O)CSCC(=O)OCCCCCC(C)C 5758435 KICFDIUUBONLHK-UHFFFAOYSA-N 374.587 5.239 0 30 FKAC C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2c1cccnc1 39178192 KSNHBAFYACINHV-STPKKNLZSA-N 353.550 5.569 0 30 FKAC C1=C/[C@@H]2[C@@H](C[C@@H]3CCCC[C@H]32)NCCCN[C@@H]2C[C@@H]3CCCC[C@H]3[C@@H]2/C=C/1 101001358 ZKTFUNZCYRUILZ-XVMYYXKMSA-N 368.609 5.072 0 30 FKAC CC1=CC(C)(C)Nc2cccc(Cc3cccc4c3C(C)=CC(C)(C)N4)c21 585138896 RCFUTUXYOJMUBG-UHFFFAOYSA-N 358.529 6.492 0 30 FKAC Cc1ccc(Oc2ncccc2NC(=O)Nc2ccccc2)c2c1CCC2 1034342 GHNOODGLKCPSBE-UHFFFAOYSA-N 359.429 5.315 0 30 FKAC Clc1cc(Cl)c2c(oc3c(Cl)cc(Cl)c(Cl)c32)c1Cl 5783899 FAHIPPHRJJJQOG-UHFFFAOYSA-N 374.865 7.506 0 30 FKAC CC/C(=C(/c1ccc(OCCNC)cc1)c1cccc(O)c1)c1ccccc1 22056273 QPHNKIXIKDPNDI-OCOZRVBESA-N 373.496 5.360 0 30 FKAC in-vitro O=C(O[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc(Cl)cc1Cl 1043516 RBPJVTSCXRGKLY-AWEZNQCLSA-N 363.162 5.324 0 30 FKAC COc1ccc([C@H](CC(=O)c2ccccc2)Sc2ccccc2C)cc1 1041682 KPZQSNCXMJDCEE-QHCPKHFHSA-N 362.494 6.110 0 30 FKAC Oc1ccc(Cc2ccccc2)c(Cc2ccccc2)c1Cc1ccccc1 33605252 XDESGXRLUIHEJT-UHFFFAOYSA-N 364.488 6.165 0 30 FKAC c1cc(N2CCN(c3cccc4sccc34)CC2)c2ccsc2c1 148947288 XPNZFZVNUDTXBN-UHFFFAOYSA-N 350.512 5.443 0 30 FKAC in-vitro Cc1ccc(/N=c2\scc(C(C)(C)C)n2-c2ccc(C)c(C)c2)cc1C 2162429 JUTMMJCTGVARQV-GYHWCHFESA-N 364.558 6.302 0 30 FKAC O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(-c2cccs2)n[nH]1 1039815 FFYIDVRMLJNJDK-UHFFFAOYSA-N 353.234 5.089 0 30 FKAC CCCCCc1cc2c(c(O)c1C(=O)O)[C@H]1C=C(C)CC[C@@H]1C(C)(C)O2 14722844 UCONUSSAWGCZMV-HOTGVXAUSA-N 358.478 5.434 0 30 FKAC biogenic CSc1nccc(-c2cccnc2Oc2c(C)ccc3c(N)cccc23)n1 2114849239 ZEVAILJHSXOUBY-UHFFFAOYSA-N 374.469 5.097 0 30 FKAC Cc1ccc(Sc2ccccc2NC(=O)c2c(F)cccc2F)cc1 4377428 JQGHUZCDQHNYPP-UHFFFAOYSA-N 355.409 5.677 0 30 FKAC C[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 42275187 UIEKNYJKPHPXQU-NSHDSACASA-N 358.201 5.319 0 30 FKAC Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1 2568317 AQONCPKMJSBHQT-UHFFFAOYSA-N 360.882 7.274 0 30 FKAC biogenic,in-vitro CC(C)(c1ccc(O)cc1)c1ccc(O)c(C(C)(C)c2ccc(O)cc2)c1 5284419 VPVTXVHUJHGOCM-UHFFFAOYSA-N 362.469 5.455 0 30 FKAC CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C)CC1 5551251 HOQSLFZFFMMYMC-IRXDYDNUSA-N 371.565 5.972 0 30 FKAC O=C(O[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(Cl)cc1Cl 1043517 RBPJVTSCXRGKLY-CQSZACIVSA-N 363.162 5.324 0 30 FKAC Cc1onc(-c2ccccc2)c1CNC(=O)Nc1csc2ccccc12 1035604 WVYPUUUSSFEJCK-UHFFFAOYSA-N 363.442 5.186 0 30 FKAC Clc1ccc(SCc2ccc(-c3nc4ccccc4s3)cc2)cc1 3126457 BDVJIZDUYVWBEW-UHFFFAOYSA-N 367.926 6.909 0 30 FKAC CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@]1(C)CCc2ccccc2O1 90768928 ZKMUFXANNOXADS-JCYRPKCISA-N 372.637 8.209 0 30 FKAC S=c1scc(-c2ccc(Cl)c(Cl)c2)n1Nc1ccccc1 2157891 WOKWIQKLFONRCK-UHFFFAOYSA-N 353.299 6.128 0 30 FKAC O=C(Oc1ccc(Cl)cc1Cl)c1cc2ccc3ccccc3c2s1 3126625 UBHFIJCJTZOYSO-UHFFFAOYSA-N 373.260 6.581 0 30 FKAC CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC=C3CC[C@]21C 2539179 WMOBVRVMMICQCT-ZEFLZXIKSA-N 368.649 8.172 0 30 FKAC CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC)cc3F)cc2)CC1 267327330 KOACYBYJGMVDEO-MEMLXQNLSA-N 352.537 7.909 0 30 FKAC CC(C)(C)P(CCP(c1ccccc1)C(C)(C)C)c1ccccc1 2381433 QCGQZQVMBJGWNL-UHFFFAOYSA-N 358.446 6.198 0 30 FKAC FC(F)(F)c1cccc(-c2nnc(SCc3ccc(Cl)cc3)o2)n1 3126028 ZUFGCLFUPQNGMY-UHFFFAOYSA-N 371.771 5.096 0 30 FKAC O=C(NCc1c(F)cccc1Sc1ccc(Cl)cc1)c1ccccc1 4323454 YBCHPOKOEBETPT-UHFFFAOYSA-N 371.864 5.560 0 30 FKAC CC(C)(C)c1cc2nc(C(F)(F)F)cc(Sc3ccccc3)n2n1 4362675 CZKHAEFTKLJKNO-UHFFFAOYSA-N 351.397 5.197 0 30 FKAC Cc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1 4343840 QKZUHYLONHBVDQ-FDDCHVKYSA-N 357.478 5.971 0 30 FKAC c1ccc(CN(c2ccccc2)N(Cc2ccccc2)c2ccccc2)cc1 6096278 KNOVBQXEURFNTO-UHFFFAOYSA-N 364.492 6.315 0 30 FKAC O=C(/C=C/c1ccsc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1026297 MFGQXOZGVVVYAV-OWOJBTEDSA-N 365.298 5.438 0 30 FKAC S=C(NCc1ccco1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 1045706 ZNKMEDRTTCAOSU-UHFFFAOYSA-N 358.850 5.212 0 30 FKAC CC(C)(C)C1=NN(c2ccccc2)C(=O)C1=Cc1cccc2ccccc12 6159211 ZXERCNQUZWABHC-UHFFFAOYSA-N 354.453 5.672 0 30 FKAC O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cnccc1C(F)(F)F 1042908 ACDQHEOCJVDMML-UHFFFAOYSA-N 350.127 5.051 0 30 FKAC c1ccc2c(-c3csc(-c4ccc(-c5ccno5)s4)n3)csc2c1 12340423 DZJFLIJFDPMINL-UHFFFAOYSA-N 366.492 6.408 0 30 FKAC O=C(Nc1cccnc1Oc1ccc(Cl)cc1)c1ccccc1Cl 1043416 BSIMMNLUQMFTJU-UHFFFAOYSA-N 359.212 5.433 0 30 FKAC Cn1nc(-c2ccccc2)c(C=Nc2c(Cl)cccc2Cl)c1Cl 254381143 VOXALXVFXPAOQL-UHFFFAOYSA-N 364.663 5.798 0 30 FKAC CC(=O)c1ccc(N(c2ccc(C(C)=O)cc2)c2ccc(C(C)=O)cc2)cc1 5481252 HMBWJXBLKJUNEP-UHFFFAOYSA-N 371.436 5.764 0 30 FKAC c1ccc2c(-c3csc(-c4ccc5c(c4)OCCO5)n3)csc2c1 1025395 KXIWPJDROJCUOB-UHFFFAOYSA-N 351.452 5.463 0 30 FKAC CCCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnn1-c1ccccc1 1031188 YGPAHBCFENFJSJ-UHFFFAOYSA-N 373.378 5.096 0 30 FKAC O=C(c1cccs1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 1035042 IFTMMPSISDXONW-KRWDZBQOSA-N 359.903 5.251 0 30 FKAC CCO[P@@](=O)(CCCCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 5861642 YSTLIYOIWSLSIK-VWLOTQADSA-N 363.350 5.226 0 30 FKAC O=S(=O)(Oc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 3170794 YIXYMIUNPOZVLO-UHFFFAOYSA-N 372.056 5.068 0 30 FKAC CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCN1C(=O)C=CC1=O 206551612 GZNZRHSGGQUYAP-CGRWFSSPSA-N 369.549 6.057 0 30 FKAC ON=C(c1ccc(Br)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 254288713 NPGQDHORGPOZSS-GJZGRUSLSA-N 350.643 5.085 0 30 FKAC FC(F)(F)c1cnc(CSc2c(Cl)cccc2Cl)c(Cl)c1 1028204 JGBYSFUBWDUQAW-UHFFFAOYSA-N 372.626 6.353 0 30 FKAC CC(C)(C)c1ccc(-n2c(C(C)(C)C)cs/c2=N/c2ccccn2)cc1 100252037 RWBHJJDAQMTOHH-HIXSDJFHSA-N 365.546 5.761 0 30 FKAC CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](C)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 96331805 SFNSGHUMGYWJGF-VONOTQQISA-N 372.549 5.332 0 30 FKAC Cc1cc(Oc2nc3cc(Cl)ccc3s2)c2cc(Cl)ccc2n1 1042636 BFYCPMOSYCGPLJ-UHFFFAOYSA-N 361.253 6.252 0 30 FKAC Cc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4SC[C@H]32)cc1 4343869 KLKAXPKRJXGJAH-WZONZLPQSA-N 373.546 6.685 0 30 FKAC Cc1ccc(-c2cc(-c3csc(COC(=O)C(C)(C)C)n3)on2)cc1C 3046827 DMHFQQAZVNLXIZ-UHFFFAOYSA-N 370.474 5.171 0 30 FKAC Cc1ccc2cc(NC(=O)c3cccnc3Sc3ccccc3)ccc2n1 4334897 IOHYQIICHFZJED-UHFFFAOYSA-N 371.465 5.342 0 30 FKAC Cc1ccc(Sc2ccccc2NC(=O)C(Cl)(Cl)Cl)cc1 1045765 OFJBCEHYTJCLSA-UHFFFAOYSA-N 360.693 5.455 0 30 FKAC COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)c(OC)c1 4336659 ARGAJEQEUOAKBU-QFIPXVFZSA-N 358.441 5.060 0 30 FKAC CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 4390551 SHNZTPXJAIOQKC-CYBMUJFWSA-N 350.289 5.934 0 30 FKAC O=C(Nc1ccc(Cl)cc1)Nc1ccc(C2SCCS2)cc1 1037379 XHUQOBHNGWGJAP-UHFFFAOYSA-N 350.896 5.463 0 30 FKAC Clc1ccc(C([C@H]2C=Nc3ccccc32)[C@H]2C=Nc3ccccc32)cc1 669367211 LMBUQSNCUQVJMW-PMACEKPBSA-N 356.856 6.423 0 30 FKAC Cc1cc(C)c(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)c1 1046651 SIXYTXZYVRTILD-UHFFFAOYSA-N 369.892 5.000 0 30 FKAC O=C(NCc1ccco1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F 1043802 PYFYRLJSXCDAGY-UHFFFAOYSA-N 369.726 5.142 0 30 FKAC C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2c1C=CCC2 140671775 CKVAPABQGMRCSS-MRXNPFEDSA-N 359.435 5.948 0 30 FKAC Cc1cccc(C)c1C(=O)NC(=O)Nc1c(Cl)cc(Cl)cc1Cl 1023852 OBTVGDAWLDEAQB-UHFFFAOYSA-N 371.651 5.226 0 30 FKAC S=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1 1044473 HFGKJMKOTGBAOO-UHFFFAOYSA-N 366.100 6.109 0 30 FKAC Cc1c(O)c(C)c2sc(Nc3cc(Cl)c(O)c(Cl)c3)nc2c1C 39127698 CWDFSGAHQWHXPL-UHFFFAOYSA-N 369.273 5.683 0 30 FKAC Nc1ccccc1S[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccsc1 1046034 DJYRIMMIWNMXAL-IBGZPJMESA-N 373.930 6.090 0 30 FKAC S=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc2[nH]ccc2c1 1043229 RQCRWMUSOFNJKF-UHFFFAOYSA-N 373.481 5.556 0 30 FKAC CSc1sc(C(=O)O)cc1-c1nc(-c2ccc(Cl)cc2)cs1 3138482 GHIPQRTXISTCRE-UHFFFAOYSA-N 367.904 5.612 0 30 FKAC CCCC[C@H](CC)C(=O)NCCCCCCNC(=O)[C@H](CC)CCCC 13967555 XZVMGPSLFYINSC-BGYRXZFFSA-N 368.606 5.212 0 30 FKAC CC(C)NC(=O)N(Cc1cccs1)Cc1cccc(Cl)c1Cl 4382793 NCLJQQABNPQNSS-UHFFFAOYSA-N 357.306 5.175 0 30 FKAC C[C@@H](c1ccccc1)N(C(=O)Nc1cccc(Cl)c1)C1=NC[C@@H](C)S1 1044144 BDQMMSVSXWXVTE-KGLIPLIRSA-N 373.909 5.426 0 30 FKAC Cc1c(C)c(C)c(S(=O)(=O)Oc2c(Cl)cccc2Cl)c(C)c1C 3170105 KSJPHBLDVGDCEE-UHFFFAOYSA-N 373.301 5.303 0 30 FKAC C[C@H](NCCCc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1 205481071 ILSUSBULBRBBLD-INIZCTEOSA-N 357.419 6.142 0 30 FKAC S=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@H]1c1cccs1 3171111 MSQNZKKREVVRFP-ZDUSSCGKSA-N 357.331 5.589 0 30 FKAC O=C(CC=NOCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 254386732 WSTPFAANEKPIFI-UHFFFAOYSA-N 356.636 5.422 0 30 FKAC c1ccc(COc2cc(OCc3ccccc3)c(-c3ccccc3)nn2)cc1 1044286 SCMQBBRVBBZDNF-UHFFFAOYSA-N 368.436 5.302 0 30 FKAC CCOC(=O)c1sc2sc(C(=O)OCC)c(-c3ccccc3)c2c1C 1106185 LTRUVNMDPFTFCV-UHFFFAOYSA-N 374.483 5.292 0 30 FKAC Cc1onc(-c2c(Cl)cccc2Cl)c1[C@H](O)c1ccc(F)cc1 1048967 VGZNMMFZBPVJTO-QGZVFWFLSA-N 352.192 5.178 0 30 FKAC O=c1c(-c2ccccc2)c(O)c(Cl)c(-c2ccccc2)n1-c1ccccc1 2557666 NRAIPRSFZBQYKG-UHFFFAOYSA-N 373.839 5.531 0 30 FKAC Clc1ccc(CSc2nccn2-c2cc(Cl)ccc2Cl)cc1 1041902 QTZSLPHYWFXHNY-UHFFFAOYSA-N 369.704 6.125 0 30 FKAC Cc1cc(C)c(O)c(C(C[C@H](C)CC(C)(C)C)c2cc(C)cc(C)c2O)c1 6069685 RPWDFMGIRPZGTI-KRWDZBQOSA-N 368.561 6.926 0 30 FKAC Cc1onc(-c2ccccc2)c1-c1csc(Nc2ccccc2Cl)n1 1031713 DSNXYXBRCMXCHA-UHFFFAOYSA-N 367.861 6.171 0 30 FKAC Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl 2568312 RVWLHPJFOKUPNM-UHFFFAOYSA-N 360.882 7.274 0 30 FKAC biogenic,in-vitro Cc1cc(Cl)c(OC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 4382102 YONXVCMORXODIP-UHFFFAOYSA-N 350.028 5.828 0 30 FKAC Clc1cc(Cl)cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1 2568324 ZEATXTCWXKQPHO-UHFFFAOYSA-N 360.882 7.274 0 30 FKAC biogenic Cc1cc(C(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)nc2)c(C)o1 1034039 ZELSORIYJSGHKW-UHFFFAOYSA-N 364.445 5.634 0 30 FKAC Oc1ccc(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)cc1 1043899 RJSHIIMXIGGILA-NRFANRHFSA-N 365.885 6.404 0 30 FKAC CCCCCOc1cccc(NC(=O)O[C@@H]2CCCC[C@H]2N2CCCC2)c1 4217596 HVYGHQWGUABUST-NHCUHLMSSA-N 374.525 5.211 0 30 FKAC in-man COc1ccc(-n2cccc2)c(NC(=S)Nc2cccc(Cl)c2C)c1 1048227 UMTGCMFLYBCCGL-UHFFFAOYSA-N 371.893 5.257 0 30 FKAC Clc1cccc(Cl)c1CSC1=NCCCN1C1CCCCC1 3126524 UDTFXJZLIIABCN-UHFFFAOYSA-N 357.350 5.621 0 30 FKAC Fc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc1 4343826 IKWVUZFIWHXYBO-AUSIDOKSSA-N 359.469 6.356 0 30 FKAC O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@@H]1CCCc2ccccc21 1032897 PBCMDRJRPJEGSM-HSZRJFAPSA-N 372.468 5.465 0 30 FKAC COc1ccccc1C1CCN(Cc2sc3ccccc3c2C)CC1 4333148 XXFJGKOFLBSBRZ-UHFFFAOYSA-N 351.515 5.598 0 30 FKAC CCN(CC)CC(CN(CC)CC)[C@H](c1ccccc1)C1CCCCC1 33647139 QDMORDTWFMWOFA-XMMPIXPASA-N 358.614 5.650 0 30 FKAC in-man FC(F)(F)c1cnc(NN=C(Cl)c2ccc(Cl)cc2)c(Cl)c1 254487632 PIWCMMGJORQLDH-UHFFFAOYSA-N 368.573 5.420 0 30 FKAC CCCCc1ccc(NC(=S)NCc2csc3ccccc23)cc1 4347868 WRUIPZHABMHUCZ-UHFFFAOYSA-N 354.544 5.731 0 30 FKAC O=C(c1ccccc1)N1c2cc(Cl)ccc2O[C@@H]1c1ccc(Cl)cc1 1024667 UIFOMOHRVWVIFQ-HXUWFJFHSA-N 370.235 5.731 0 30 FKAC Cc1ccc(C(=O)Nc2cccnc2Oc2ccc(C(C)(C)C)cc2)cc1 1043395 NBMQZUXDVCPGLD-UHFFFAOYSA-N 360.457 5.732 0 30 FKAC C[C@]12C=CC(=O)C=C1C=C(c1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 6067828 NMLPFJDDIKKFFL-OWUXGNKUSA-N 358.481 5.167 0 30 FKAC O=C(c1cccc2ccccc12)c1cn(CC2CCCCC2)c2ccccc12 2265366054 HGJYPIZWMHHQKS-UHFFFAOYSA-N 367.492 6.606 0 30 FKAC COc1ccc([C@H]2CC(c3ccc(C)cc3)=Nc3ccccc3S2)cc1 1045081 CGKRRUPJJLXLCB-HSZRJFAPSA-N 359.494 6.362 0 30 FKAC CCCCc1ccc(NC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 4333169 KPTAXWBDZGWTMW-UHFFFAOYSA-N 351.494 5.664 0 30 FKAC Fc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2c2ccccc2)cc1 4377866 OKGKKNMLKYGCRD-VWLOTQADSA-N 366.439 6.335 0 30 FKAC CC1(C)C2=CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)Cc2cnoc21 4214912 AXLOCHLTNQDFFS-BESJYZOMSA-N 355.522 5.038 0 30 FKAC in-man Cc1c(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)oc2ccccc12 1043227 WKCOCQBCHFEATA-UHFFFAOYSA-N 360.291 5.357 0 30 FKAC CCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CC 5460278 HFEFYTCEBRSONX-UHFFFAOYSA-N 356.547 5.676 0 30 FKAC COc1oc(CSc2ccccc2)cc1-c1ccc(Cl)cc1Cl 223761422 NSCLOWLVRLPRFS-UHFFFAOYSA-N 365.281 6.554 0 30 FKAC CCCN(CCC)CCCNc1c2c(nc3c(Cl)cccc13)CCCC2 1855750 RXETZBCYQSWMKB-UHFFFAOYSA-N 373.972 5.691 0 30 FKAC O=C(Nc1ccccc1N1CCCCC1)c1cc(Cl)sc1Cl 1034020 PZNFBHJAINDHOS-UHFFFAOYSA-N 355.290 5.298 0 30 FKAC C(/C=C/N1CCCC1)=C\c1cc(-c2ccccc2)c(-c2ccccc2)cn1 59602426 VTWMOWFPHCWJLH-BGPOSVGRSA-N 352.481 6.038 0 30 FKAC CCC(=O)N1c2ccccc2N=C(c2ccccc2)C[C@H]1c1ccccc1 1043917 QANWFXLRXJOXFE-QHCPKHFHSA-N 354.453 5.695 0 30 FKAC Cc1cc(C(C)(C)C)c(O)c(Cc2c(C)c(C)cc(C(C)(C)C)c2O)c1C 34332761 CVWCOXJKYNCOJN-UHFFFAOYSA-N 368.561 6.517 0 30 FKAC CC(C)CCC[C@@H](C)[C@H]1CCC2=C3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 299803368 LOYUFUGUVLIJNJ-FVGLWHFYSA-N 370.665 8.562 0 30 FKAC S=c1[nH]nc(CSCc2cccc3ccccc23)n1C1CCCCC1 1043354 MOBKMJLDUNPPBG-UHFFFAOYSA-N 369.559 6.032 0 30 FKAC S=C(NCc1cccnc1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 1045705 MGILJUQENVVCSR-UHFFFAOYSA-N 369.877 5.014 0 30 FKAC Clc1c(Br)c(Br)cc2oc3ccccc3c12 6117833 XSJQZVFAJMCPFA-UHFFFAOYSA-N 360.432 5.764 0 30 FKAC O=C(O)c1cc2ccccc2c(/N=N/c2ccc(Cl)cc2[N+](=O)[O-])c1O 111889533 VNYYTZFSRNZNFU-FMQUCBEESA-N 371.736 5.221 0 30 FKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@@H]3CC[C@]12C 1721575 YWHWYTRNKBGSRE-RFNJHMLVSA-N 370.665 8.418 0 30 FKAC c1ccc2c(c1)N=C(c1ccc3ccccc3c1)C[C@@H](c1ccsc1)S2 4377622 SJOOEQYNWNIRJR-QHCPKHFHSA-N 371.530 7.259 0 30 FKAC COc1ccc2[nH]c3c(C)c4c(cc3c2c1)[C@@H](C)N(Cc1ccccc1)CC4 111899620 SNWJXHHMBDJMIW-QGZVFWFLSA-N 370.496 5.757 0 30 FKAC CCCC[C@@H](CC)Cn1c2ccccc2c2ccc(Br)cc21 139973180 KUHJVARVXWNMAR-OAHLLOKOSA-N 358.323 6.773 0 30 FKAC Clc1cc(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl 78073410 QYEGXUUXWMKHHS-UHFFFAOYSA-N 369.289 7.414 0 30 FKAC COc1ccc(OCc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 1046828 BJVPCYGVRXGESB-UHFFFAOYSA-N 366.269 5.705 0 30 FKAC c1ccc2c(c1)N=C(c1ccc3ccccc3c1)C[C@H](c1ccsc1)S2 4377623 SJOOEQYNWNIRJR-HSZRJFAPSA-N 371.530 7.259 0 30 FKAC CC(C)=CC[C@H](CC[C@@H](C)C(=O)O)c1coc(-c2cc(O)ccc2O)c1 223702079 VCDSBBIDUCDNJF-HUUCEWRRSA-N 358.434 5.299 0 30 FKAC CCCCCCCC/C=C(/CCCCCCCC(=O)O)S(=O)(=O)O 111412809 JEXDTYLVDKNUPY-VKAVYKQESA-N 362.532 5.324 0 30 FKAC Fc1ccc(-c2nnc(CSCc3cccc4ccccc34)o2)cc1 1043343 AGQIZANXIQYXAT-UHFFFAOYSA-N 350.418 5.462 0 30 FKAC CCOC(=O)c1cc(C)n(-c2cccc(Cl)c2Cl)c1-c1ccccc1 3129515 MZEVELGLJPIDTI-UHFFFAOYSA-N 374.267 5.936 0 30 FKAC CCOC(=S)SCc1c(-c2c(Cl)cccc2Cl)noc1C 4322887 GVAFBMSEIVLXEG-UHFFFAOYSA-N 362.303 5.511 0 30 FKAC O=C(Oc1cccc(C(F)(F)F)c1)c1cc2ccc3ccccc3c2s1 2158731 QHVVGVCEKBGXMF-UHFFFAOYSA-N 372.367 6.293 0 30 FKAC O=C(O)CCc1c(C(c2ccccc2)c2ccccc2)[nH]c2ccccc12 5850073 RPABWLHQMXVQFR-UHFFFAOYSA-N 355.437 5.365 0 30 FKAC Cc1cc(C)c2c(n1)sc1c(SCc3ccc(F)cc3)ncnc12 1035339 GMPOOMXNJTYLBQ-UHFFFAOYSA-N 355.463 5.288 0 30 FKAC Cc1cccc(C)c1-n1c(SCc2ccccc2)nc2ccccc2c1=O 3126657 NJSILBDVIWXURV-UHFFFAOYSA-N 372.493 5.295 0 30 FKAC Cc1cc(Oc2ccc(C(F)(F)F)cc2-n2cccc2)cc(C)c1Cl 1036294 XHLOAGQEAKLYDY-UHFFFAOYSA-N 365.782 6.559 0 30 FKAC Cc1ccc(Oc2c(C)nc(SCc3ccc(Cl)cc3)[nH]c2=O)cc1 5176631 PZKHZPSFWDKRHW-UHFFFAOYSA-N 372.877 5.125 0 30 FKAC COC(=O)c1sc2c(C)cc(Cl)c(C)c2c1C(=O)Oc1ccccc1 1041353 GCNFWRUHZQYKBP-UHFFFAOYSA-N 374.845 5.177 0 30 FKAC CCN(C(=O)c1cnc(SC)cc1C(F)(F)F)c1ccc(Cl)cc1 1042962 PEWIHNVWVOGMBT-UHFFFAOYSA-N 374.815 5.142 0 30 FKAC CC(C)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2265351543 FBCZMVKZFVTWFK-UNHDTSEGSA-N 372.637 7.287 0 30 FKAC Cc1cc(Cl)c(OC(=O)c2c(Cl)cccc2Cl)c(Cl)c1 4323027 LLXWDHGSVDSWRN-UHFFFAOYSA-N 350.028 5.828 0 30 FKAC CN(C)c1oc(/C=N/c2ccc(Cl)c(Cl)c2)cc1Br 137761049 KOBNVTMVDYMZMZ-REZTVBANSA-N 362.054 5.166 0 30 FKAC CC(C)n1c(SCC(=O)c2ccc(F)cc2)nc2cc(Cl)ccc21 1030582 ABSPUHKPNNNONY-UHFFFAOYSA-N 362.857 5.385 0 30 FKAC CCCC1CCC([C@H]2CC[C@H](c3ccc(OC)c(F)c3F)CC2)CC1 328977113 FRGPBGWMABUJNC-VNGAXPGBSA-N 350.493 6.854 0 30 FKAC Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)c1ccc(F)cc1 1048965 KDERXCASLWMWFB-UHFFFAOYSA-N 350.176 5.327 0 30 FKAC Cc1ccc(Oc2ncccc2NC(=O)Nc2cccs2)c2c1CCC2 1034345 ZLXACSQGDALWCP-UHFFFAOYSA-N 365.458 5.377 0 30 FKAC COc1cc(NC(=S)Nc2ccc(Cl)cc2)cc(C(F)(F)F)c1 1046466 RVMUOALYPHCTJU-UHFFFAOYSA-N 360.788 5.176 0 30 FKAC CCc1cc2c(cc1C(=O)CSc1ccccn1)C(C)(C)CCC2(C)C 3161775 WAMRVIYDUIJHLF-UHFFFAOYSA-N 367.558 5.968 0 30 FKAC CCCCCCCCC/C=C/C[C@@H](CC(=O)OCc1ccccc1)C(=O)O 111849825 DTZCEDKZDHFJOH-OQHXPNFOSA-N 374.521 5.908 0 30 FKAC Clc1cccc([C@H]2Sc3ccccc3N=C3c4ccccc4C[C@@H]32)c1 4343903 WXBPCAALBKLWFH-PGRDOPGGSA-N 361.897 6.480 0 30 FKAC COc1ccc(-c2csc(-c3ccc(-c4ccccn4)s3)n2)cc1 1031080 HHQFXJUOPPPZJR-UHFFFAOYSA-N 350.468 5.609 0 30 FKAC Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1cccc(Cl)c1 1045333 ORKWJAHJPTUEMB-OAQYLSRUSA-N 367.901 6.029 0 30 FKAC CCCCN(CCCC)C(=S)SCc1ccc2cccnc2c1O 38643713 GHUMBRRHICYOPL-UHFFFAOYSA-N 362.564 5.361 0 30 FKAC Clc1ccc(CON=C2c3ccccc3-c3ncccc32)c(Cl)c1 254300804 NZLRNTPMDQEBIK-UHFFFAOYSA-N 355.224 5.338 0 30 FKAC CC(C)SC1=NC(C=Cc2c(Cl)cccc2Cl)=CC(C)(C)N1 2265276484 JXIOCQTVUSXBEH-UHFFFAOYSA-N 355.334 5.770 0 30 FKAC Fc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2c2ccccc2)cc1 4377867 OKGKKNMLKYGCRD-RUZDIDTESA-N 366.439 6.335 0 30 FKAC Cc1cc(Br)ccc1NC(=O)C=Cc1cccc2ccccc12 2265279655 NJPTWAREGQALRK-UHFFFAOYSA-N 366.258 5.563 0 30 FKAC C1=C\CC[C@@H](N2CCCCC2)[C@H]2CC[C@@H](S2)[C@H](N2CCCCC2)CC/1 256004336 UJAQOHJCAKZQSY-RWZXNAQSSA-N 362.627 5.090 0 30 FKAC Fc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1 4343827 IKWVUZFIWHXYBO-WMZHIEFXSA-N 359.469 6.356 0 30 FKAC CC[n+]1c(/C=C2/C=C3C=C(N(C)C)CC[C@H]3CC2)sc2ccccc21 39440323 YFHPBDIGHHILSA-QGZVFWFLSA-N 351.539 5.168 0 30 FKAC O=C(c1ccc(F)cc1)c1sc(Nc2ccccc2)nc1-c1ccccc1 4334054 BOMRYTBKNHNVSS-UHFFFAOYSA-N 374.440 5.924 0 30 FKAC Clc1ccc([C@H](c2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1 95795465 LMNGXUAFBMMCLT-CYBMUJFWSA-N 354.491 6.496 0 30 FKAC CCCCN(N=Cc1ccc2c(c1)c1ccccc1n2CC)c1ccccc1 256605036 WUJYNCPGAXBZMF-UHFFFAOYSA-N 369.512 6.455 0 30 FKAC Cc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4OC[C@H]32)cc1 1037038 QKZUHYLONHBVDQ-WZONZLPQSA-N 357.478 5.971 0 30 FKAC O=C(NCc1ccc(-c2cccs2)s1)c1c(Cl)cccc1Cl 1039546 IBCIUSNVYJNNMN-UHFFFAOYSA-N 368.310 5.713 0 30 FKAC Clc1cc2c(oc3c(Cl)cc(Cl)c(Cl)c32)c(Cl)c1Cl 2569961 CKDDYGBBKXIHRY-UHFFFAOYSA-N 374.865 7.506 0 30 FKAC CCCCC[C@@](C)(O)CC[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 5821060 JERCJPRNXXOPNI-DBXWQHBBSA-N 354.531 5.118 0 30 FKAC in-man CC(C)(C)Cc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 6022813 JNMZGRFHQIXWTC-UHFFFAOYSA-N 365.911 5.247 0 30 FKAC FC(F)(F)Oc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1 2159092 RJTPYEAXNPCOPJ-UHFFFAOYSA-N 374.240 5.321 0 30 FKAC Brc1cncc(-c2cccc(C3SCCCS3)c2)c1 15042823 JPBFXRQTJYRSNC-UHFFFAOYSA-N 352.322 5.380 0 30 FKAC Fc1ccc(CON=Cc2ccc(Sc3ccc(Cl)cc3)nc2)cc1 254837531 DFYNPZYKTVHSIS-UHFFFAOYSA-N 372.852 5.576 0 30 FKAC CS(=O)(=O)c1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1Cl 6019544 AIFBLMGMNFTMDI-UHFFFAOYSA-N 370.084 5.371 0 30 FKAC CC(C)(C)Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(O)cc1 2265356108 ZUJUDNNWZQBYJB-NOZRDPDXSA-N 372.508 6.431 0 30 FKAC Cc1c(Cc2c(Cl)cccc2Cl)c(=O)oc2cc(O)c(Cl)cc12 4376035 SMQTYMROTQHDFV-UHFFFAOYSA-N 369.631 5.358 0 30 FKAC Fc1ccc(-n2c(-c3cccs3)cs/c2=N\c2ccccn2)cc1 13465670 JCADGKQXPPDODY-UZYVYHOESA-N 353.447 5.034 0 30 FKAC CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 86861131 CRRKVZVYZQXICQ-PXZFESRASA-N 358.522 5.086 0 30 FKAC CC(=O)CCCCCCCCCCCCCCc1ccc2ccccc2n1 231556054 JXYQGXGGTKRURC-UHFFFAOYSA-N 367.577 7.438 0 30 FKAC CSc1sc(C(=O)c2ccc(Cl)cc2)c2c1C(=O)CC(C)(C)C2 1037779 HQLSOPIOLLLAJV-UHFFFAOYSA-N 364.919 5.510 0 30 FKAC c1ccc(CNc2cccc3c2c2ccccc2n3Cc2ccccc2)cc1 2507146 IMBAGJROPLCJOX-UHFFFAOYSA-N 362.476 6.455 0 30 FKAC CCCc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(Cl)cc1 1026479 SZPVEPYNYZJFGC-UHFFFAOYSA-N 374.271 5.384 0 30 FKAC CCCCCCCCC/C=C/C[C@H](CC(=O)OCc1ccccc1)C(=O)O 111849827 DTZCEDKZDHFJOH-PAGBRTJLSA-N 374.521 5.908 0 30 FKAC CC(C)Cc1ccc([C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 4390552 SHNZTPXJAIOQKC-ZDUSSCGKSA-N 350.289 5.934 0 30 FKAC CC1(C)CSc2cc(Cc3ccc4c(c3)SCC(C)(C)N4)ccc2N1 38636325 RMKZWXPGSUJDMO-UHFFFAOYSA-N 370.587 5.870 0 30 FKAC Cc1c(Cl)cccc1NC(=S)Nc1c(C(C)C)cccc1C(C)C 3119309 ZBSMUMWFMQCVCE-UHFFFAOYSA-N 360.954 6.704 0 30 FKAC COc1ccc([C@]2(c3ccccc3)[C@H](c3ccccc3)C2(Cl)Cl)cc1 29404744 ZYRUTUIIYQZZOH-LEWJYISDSA-N 369.291 5.953 0 30 FKAC O=C(CSCc1csc2ccccc12)Nc1ccc(F)c(Cl)c1 1032855 ZZLOYHKRESEIBS-UHFFFAOYSA-N 365.882 5.566 0 30 FKAC Fc1cccc(Cl)c1CSc1nc2cc(Cl)c(Cl)cc2[nH]1 1033921 FPKUZSFMJARNKQ-UHFFFAOYSA-N 361.656 5.955 0 30 FKAC O=C(Nc1ccccc1)Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1 1034030 VJVHBAKJGLVJFU-UHFFFAOYSA-N 373.334 5.537 0 30 FKAC Cc1ccc(-c2cc(-c3ccccc3)cc(C)c2C(=O)c2ccccc2)cc1 2159325 WZYKAZVUGCEYAX-UHFFFAOYSA-N 362.472 6.868 0 30 FKAC CC(=NOC(=O)c1ccc(Cl)cc1)c1sc(-c2ccccc2)nc1C 254498173 MMLVBVRAJQDIOM-UHFFFAOYSA-N 370.861 5.353 0 30 FKAC CC[C@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 214496056 BPZJAIVMCBNBHB-QFIPXVFZSA-N 371.446 6.532 0 30 FKAC Clc1cccc(Cl)c1COc1ccc(C2SCCS2)cc1 3129578 JQIYKXWLBFXKLY-UHFFFAOYSA-N 357.327 6.051 0 30 FKAC O=C(NCCCSc1ccccc1F)c1ccc(Cl)cc1Cl 2149146 HGXGLSJDGWPTLF-UHFFFAOYSA-N 358.265 5.045 0 30 FKAC O=C(Oc1ccc(C2SCCS2)cc1)c1c(F)cccc1Cl 1047286 FVGLROILJUQYKD-UHFFFAOYSA-N 354.855 5.177 0 30 FKAC CC(C)(C)c1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 21984484 IVEQKIQHNZNLLP-XMMPIXPASA-N 354.497 6.340 0 30 FKAC Cn1nc(-c2ccc(Sc3ccc(Cl)cc3)s2)cc1C(F)(F)F 1038422 GVHJNXGIGRJJEJ-UHFFFAOYSA-N 374.840 5.972 0 30 FKAC CCOc1ccc(C=CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 2265279629 JZXWMRRINBPBCC-UHFFFAOYSA-N 359.425 5.530 0 30 FKAC Cc1onc(-c2ccccc2)c1NC(=O)N1c2ccc(F)cc2CC[C@@H]1C 1036367 DUQSNCZQJIDXHJ-ZDUSSCGKSA-N 365.408 5.162 0 30 FKAC CCN1/C(=C/C=C/c2cc[n+](CC)c3ccccc23)Sc2ccccc21 38609614 DJAQPUXEDANWNL-UHFFFAOYSA-N 359.518 5.634 0 30 FKAC C[C@H](CCOC(=O)/C=C\C(=O)OCC[C@H](C)CC(C)(C)C)CC(C)(C)C 44709684 ZVGNLPOWWIWPER-BJDFZXPUSA-N 368.558 5.554 0 30 FKAC CC(C)n1c(SCc2c(F)cccc2Cl)nc2cc(Cl)ccc21 4302238 NDDBUIDMOYRQAR-UHFFFAOYSA-N 369.292 6.355 0 30 FKAC Cc1ccc(CSc2nnc(-c3ccc(C(F)(F)F)cn3)s2)cc1 4394800 IVNRMNSXENBBJP-UHFFFAOYSA-N 367.421 5.220 0 30 FKAC C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820803 AZFLHSKQKSZOET-WFVDQZAMSA-N 374.565 5.283 0 30 FKAC FC(F)(F)c1ccncc1-c1noc(-c2ccc(Cl)cc2Cl)n1 1042917 OXLFTQSYGGEYHY-UHFFFAOYSA-N 360.122 5.124 0 30 FKAC COc1cc(/C(C)=C\C=C\C=C\C=C\c2[nH]ccc2Cl)oc(=O)c1C 3794059 TUFFAFAPFQNIRB-KDZWSXRISA-N 357.837 5.167 0 30 FKAC investigational Cc1cc(S(=O)(=O)Cc2c(F)cccc2Cl)c(Cl)cc1Cl 1042658 QUHDWGOSZKFDED-UHFFFAOYSA-N 367.656 5.068 0 30 FKAC COc1cccc2c1C(=O)c1c(oc3cc(Br)ccc13)C2(C)C 1774020965 UKKMKBGKFGPLNY-UHFFFAOYSA-N 371.230 5.074 0 30 FKAC O=C(Nc1ccccc1)Nc1sccc1-c1nc2ccccc2s1 1035200 XLJKPNBNTOIINN-UHFFFAOYSA-N 351.456 5.669 0 30 FKAC COc1ccc([C@@H](CC(=O)c2ccccc2)Sc2ccccc2C)cc1 1041683 KPZQSNCXMJDCEE-HSZRJFAPSA-N 362.494 6.110 0 30 FKAC CCCCCC[C@@H]1C=C[C@H](CCCCCCCC(=O)O)[C@H](C(=O)O)C1 113176019 JMUKALCRCFJQTI-CEXWTWQISA-N 352.515 5.665 0 30 FKAC Cc1ccc(-n2cccc2)c(NC(=S)Nc2ccc(C(C)(C)C)cc2)c1 1046695 LAHYIIINACEDFL-UHFFFAOYSA-N 363.530 5.892 0 30 FKAC C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 42275190 UIEKNYJKPHPXQU-LLVKDONJSA-N 358.201 5.319 0 30 FKAC C/C(=C/[C@](C)(CC(C)(C)c1ccccc1)c1ccccc1)c1ccccc1 96336200 LEOZNBAZHMBUST-JRPHYPICSA-N 354.537 7.416 0 30 FKAC CC(C)C[Sn](Br)(CC(C)C)CC(C)C 195765463 YQQBSHJWYVTQTA-UHFFFAOYSA-M 369.963 5.295 0 30 FKAC CC(C)CCCCCCc1ccc(O)c(/C(=N/O)c2ccccc2Cl)c1 38656318 BGNZDRWQKYSHJP-ZNTNEXAZSA-N 373.924 6.421 0 30 FKAC CCN(C(=O)c1cnccc1C(F)(F)F)c1ccc(Cl)cc1Cl 1042907 MXSIWBNKJHCXNQ-UHFFFAOYSA-N 363.166 5.074 0 30 FKAC CC(C)Nc1ccc(C(=O)OCc2ccccc2)cc1Oc1ccccc1 142441556 VRMRZOGZZQZGAC-UHFFFAOYSA-N 361.441 5.656 0 30 FKAC CC(C)=CCc1cccc2c([C@H](C=C(C)C)c3c[nH]c4ccccc34)c[nH]c12 13365942 MFLJSVIXUBIVEJ-JOCHJYFZSA-N 368.524 7.256 0 30 FKAC biogenic Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)c(C)c1 4301205 JSMWXVJTUPVULE-QHCPKHFHSA-N 360.888 6.313 0 30 FKAC O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1)c1ccccc1 4334090 HRTGYNGWKGLHFI-UHFFFAOYSA-N 358.319 5.145 0 30 FKAC Cc1cc(N(Cc2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)no1 1042842 OMZUVIPCRDYZBI-UHFFFAOYSA-N 361.228 5.137 0 30 FKAC CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(=O)c1c(F)cccc1F 228944306 BKAYOOBKJUBEMJ-UHFFFAOYSA-N 367.779 5.196 0 30 FKAC FC(F)(F)c1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 4390733 GULBZCGYUCDYAM-UHFFFAOYSA-N 373.321 6.515 0 30 FKAC Clc1cc(Cl)cc(/N=c2\ssnc2-c2ccccc2Cl)c1 4363792 YQPCGXFUTCLGGK-JXAWBTAJSA-N 373.717 6.064 0 30 FKAC Cc1c(C)c(C)c([C@H](C)O[C@H](C)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C 17749957 HJPUYZSEGWLQKH-PSWAGMNNSA-N 366.589 7.610 0 30 FKAC C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CCC2=O 4166593 HKUKRSLIEVXDMS-APDHKMKFSA-N 374.480 5.331 0 30 FKAC biogenic,in-vitro CC(C)(C)c1ccc(NC(=O)C(Cl)(Cl)Cl)c(Br)c1 1042740 GMOBRKXLLLISKR-UHFFFAOYSA-N 373.505 5.055 0 30 FKAC CCOC(=O)C(CC=Cc1ccccc1)(CC=Cc1ccccc1)C(C)=O 2265278995 QNQGBIMFGVFSCT-UHFFFAOYSA-N 362.469 5.332 0 30 FKAC O=C(c1ccc(Br)cc1)c1cc2cc(Cl)cc(Cl)c2o1 1043375 AFUUYEUHAVIPJI-UHFFFAOYSA-N 370.029 5.733 0 30 FKAC COc1ccc(OC)c(CCCCCCc2cc(OC)ccc2OC)c1 4321714 AISNDRMYWZHLPC-UHFFFAOYSA-N 358.478 5.067 0 30 FKAC Cc1cc(C)c2c(N)c(C(=O)c3ccc(-c4ccccc4)cc3)sc2n1 8636823 JXMLBUBGZZECAN-UHFFFAOYSA-N 358.466 5.393 0 30 FKAC O=C(Nc1ccccc1)Oc1cccc(F)c1OC(=O)Nc1ccccc1 1043165 KIXWNCLXZVOIMG-UHFFFAOYSA-N 366.348 5.048 0 30 FKAC CS(=O)(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc(Cl)c1Cl 6019557 NPOQAWWYZIAGCQ-UHFFFAOYSA-N 370.084 5.371 0 30 FKAC O=C(Nc1cc(Cl)c(-n2cccc2)cc1Cl)c1ccc(Cl)cc1 1023871 XPBOURWCHCEZQN-UHFFFAOYSA-N 365.647 5.690 0 30 FKAC Fc1ccc(-c2cnc3cc(C(F)(F)F)cc(Br)c3n2)cc1 95626618 CVEOIHBSRMUUSL-UHFFFAOYSA-N 371.131 5.217 0 30 FKAC C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(C)(C)C)cc1 4377446 RRPRJZIJDYQJCN-GFCCVEGCSA-N 366.288 5.697 0 30 FKAC CC(=NOC(=O)c1c(Cl)cccc1Cl)[C@H]1C[C@@H]1c1ccc(F)cc1 4091587 LHZIYWLWDILKIM-ZIAGYGMSSA-N 366.219 5.469 0 30 FKAC CCc1c(O)c(-c2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1 3126175 JHUWHRCMCKFQPV-UHFFFAOYSA-N 367.448 5.440 0 30 FKAC CCc1ccc(-n2nc(-c3cc4ccccc4o3)c3c2NCCCC3)cc1 3695134 QFQXSWCZDKJFSB-UHFFFAOYSA-N 357.457 5.596 0 30 FKAC FC(F)Oc1ccc(-c2n[nH]cc2Sc2ccc(Cl)cc2)cc1 1035964 TUXDTNOORAHULV-UHFFFAOYSA-N 352.793 5.483 0 30 FKAC O=C(Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 1047843 ADPWHUADORISTE-UHFFFAOYSA-N 352.164 5.340 0 30 FKAC CCOC(=O)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1 1042244 FMSLGHCXBXSTIE-UHFFFAOYSA-N 373.619 5.043 0 30 FKAC C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@@H]1C=C[C@H]2O 254870155 YWHIUZLVKVDQAM-MQZWXTIWSA-N 360.497 5.259 0 30 FKAC Cc1cc(C)c(CSCCNC(=O)Nc2ccc(Cl)cc2)c(C)c1 4390603 YXZYKTXGVHDMMA-UHFFFAOYSA-N 362.926 5.320 0 30 FKAC CCOC(=O)c1sc2ccc(NC(=O)c3ccccc3Cl)cc2c1C 1024781 XHIWEJGAXNQFTJ-UHFFFAOYSA-N 373.861 5.292 0 30 FKAC Cc1onc(-c2ccccc2)c1-c1csc(Nc2ccc(Cl)cc2)n1 1031711 MZZMFEAQQJQMIA-UHFFFAOYSA-N 367.861 6.171 0 30 FKAC O=C(c1ccc(Cl)cc1)n1cc2c(n1)-c1cc(Cl)ccc1SC2 1039435 RWEWVRABTMNPAZ-UHFFFAOYSA-N 361.253 5.151 0 30 FKAC Cc1ccc(-c2csc(-c3ccc(C4SCCS4)cc3)n2)c(C)c1 4390741 VCWBJOLHXSFHFS-UHFFFAOYSA-N 369.580 6.573 0 30 FKAC FC(F)(F)c1cnc(C=CNc2ccc(Cl)cc2Cl)c(Cl)c1 2265276304 PQHOBVJPBBFCER-UHFFFAOYSA-N 367.585 6.143 0 30 FKAC Clc1cc2c(cc1Cl)Oc1c(Cl)c(Cl)cc(Cl)c1O2 2573793 QUPLGUUISJOUPJ-UHFFFAOYSA-N 356.419 6.852 0 30 FKAC c1cc(-c2cc3c(N4CCNCC4)cccc3s2)c2ccsc2c1 642882285 OYQMPLBCUUGIEM-UHFFFAOYSA-N 350.512 5.193 0 30 FKAC C[C@@H](c1ccccc1)c1cc([C@@H](C)c2ccccc2)c(O)c(C(C)(C)C)c1 6030413 FSKWPMWCAAAHCA-OALUTQOASA-N 358.525 6.993 0 30 FKAC ON=C(c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl 254293049 VZCLLMDAMDVQMG-UHFFFAOYSA-N 369.557 5.287 0 30 FKAC CSc1ss/c(=N\c2ccc(F)c(F)c2)c1-c1ccccc1 4377034 WWDFPJZSZJESMH-CYVLTUHYSA-N 351.468 5.709 0 30 FKAC FC(F)(F)c1cccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3n2)c1 3127691 AFRASGGRIDVZSD-UHFFFAOYSA-N 365.664 5.087 0 30 FKAC CCCCCCCCCCCCCCCCc1ccc(O)c(C(=O)O)c1 100124589 VCLDAIPENLEIRV-UHFFFAOYSA-N 362.554 7.114 0 30 FKAC CS(=O)(=O)c1cc(Cl)c(-c2ccc(Cl)cc2Cl)cc1Cl 6019549 YZEHRYWBHHGNDS-UHFFFAOYSA-N 370.084 5.371 0 30 FKAC CCCC[C@H](CC)C(=O)OCCCCCCCCCCCCCC(C)C 60258537 PHTZMGCAFZLFOL-QHCPKHFHSA-N 368.646 8.083 0 30 FKAC CC(C)(C)c1ccc(NC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 1033508 FEFYGQYCYUHUNU-UHFFFAOYSA-N 351.494 5.618 0 30 FKAC CCOC(=O)c1sc(-c2ccccc2)nc1OCc1ccccc1Cl 1047628 DHEOBYJYHSKGCA-UHFFFAOYSA-N 373.861 5.219 0 30 FKAC CC(C)CCCCCCOP(=O)(O)OCCCCCCC(C)C 96328811 CELFQJLWIWWAPB-UHFFFAOYSA-N 350.480 6.333 0 30 FKAC FC(F)(F)c1cc(NC(=S)NC2CCCCC2)cc(C(F)(F)F)c1 1045688 XQNDDOSPVFNUPP-UHFFFAOYSA-N 370.362 5.343 0 30 FKAC CCCc1ccc(C(=O)Nc2cccnc2Oc2ccc(Cl)cc2)cc1 1043415 NAWIBDNSZXEQAH-UHFFFAOYSA-N 366.848 5.732 0 30 FKAC CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 86861128 CRRKVZVYZQXICQ-IISWQVLISA-N 358.522 5.086 0 30 FKAC CCOC(=O)c1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCS3)cc1 13652277 YWQVMUBBTCKAMA-JQIJEIRASA-N 366.526 6.197 0 30 FKAC CCCCOC(=O)Oc1cc2cc(Cl)ccc2n1C(=O)OCCCC 196089454 DJFYFCXMHDOCPH-UHFFFAOYSA-N 367.829 5.395 0 30 FKAC C[C@@H](c1ccccc1)N(C(=O)Nc1ccc(Cl)cc1)C1=NC[C@@H](C)S1 1044148 ANLUEOGLPRCYTA-KGLIPLIRSA-N 373.909 5.426 0 30 FKAC Cn1c(Cc2ccsc2)nnc1SCc1c(Cl)cccc1Cl 1047544 LLPOKNCSPOLERL-UHFFFAOYSA-N 370.330 5.067 0 30 FKAC C[C@H]1CC(C2=[N+](C)c3ccccc3C2(C)C)=NN1c1ccccc1Cl 38635729 KYVFAYFQFWMOJR-AWEZNQCLSA-N 352.889 5.001 0 30 FKAC Clc1cccc([C@H]2NCc3c(sc4c3CCCC4)-n3cccc32)c1 58070438 ACMUPPDDQFBFEE-LJQANCHMSA-N 354.906 5.264 0 30 FKAC CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 84759260 KDLNOQQQEBKBQM-PNWWQQJASA-N 372.549 5.476 0 30 FKAC biogenic CC(C)(C)c1ccc(-c2nc(-c3ccc(OC(F)F)cc3)cs2)cc1 4390714 CCURWMLPFJSKOT-UHFFFAOYSA-N 359.441 6.376 0 30 FKAC CSc1cccc(NC(=S)Nc2c(C(C)C)cccc2C(C)C)c1 1045224 PFGHDFUGFOZNRY-UHFFFAOYSA-N 358.576 6.464 0 30 FKAC O=C(Oc1ccc2ccccc2c1C1SCCS1)c1cccs1 1047312 GZEZPVAVRQTTIU-UHFFFAOYSA-N 358.509 5.599 0 30 FKAC Cc1c(C)c(C)c(S(=O)(=O)Oc2cc(Cl)cc(Cl)c2)c(C)c1C 3170792 HFUMZJQOCVJPSE-UHFFFAOYSA-N 373.301 5.303 0 30 FKAC Cc1onc(-c2ccccc2)c1-c1csc(-c2ccc(C(C)(C)C)cc2)n1 2142116 VUXYBNNMPUHQPU-UHFFFAOYSA-N 374.509 6.738 0 30 FKAC C[C@](OCCN1CCCCCCC1)(c1ccccc1)c1ccc(Cl)cc1 6067238 UTJCUSNUTZBJBU-QHCPKHFHSA-N 371.952 5.886 0 30 FKAC in-man CC(C)(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 21984482 IVEQKIQHNZNLLP-DEOSSOPVSA-N 354.497 6.340 0 30 FKAC C=CC(=O)NCCCCCCCCCCCCCCCCCC(C)C 98089905 ZZYZJTZMILHCMI-UHFFFAOYSA-N 351.619 7.186 0 30 FKAC CC(C)CCCCCCOC(=O)/C=C\C(=O)OCCCCCCC(C)C 111406238 CBWMVXMQKDYZDQ-NXVVXOECSA-N 368.558 5.842 0 30 FKAC CSc1nsc(SC)c1C(=O)Nc1ccc(C(C)(C)C)cc1 1034951 JNTFUXNMXGOBOY-UHFFFAOYSA-N 352.550 5.137 0 30 FKAC C[C@H](CCOC(=O)/C=C\C(=O)OCC[C@@H](C)CC(C)(C)C)CC(C)(C)C 31361419 ZVGNLPOWWIWPER-ZWHYWQQASA-N 368.558 5.554 0 30 FKAC CC(C)CCCCCCCOP(O)OCCCCCCCC(C)C 116486405 WCYCLRZMWNHMFD-UHFFFAOYSA-N 362.535 7.232 0 30 FKAC CC1(C)C(=O)C(C)(C)C12ON(c1ccccc1)[C@H](c1ccccc1)S2 142219993 KPRDONQAWOJKFW-KRWDZBQOSA-N 353.487 5.202 0 30 FKAC CCCc1c(C(=O)Sc2ccc(Cl)cc2)cnn1-c1ccccc1 1026519 PPOFNXRUVSFANG-UHFFFAOYSA-N 356.878 5.411 0 30 FKAC Cc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1 4343841 QKZUHYLONHBVDQ-MBSDFSHPSA-N 357.478 5.971 0 30 FKAC Clc1cccc(Cl)c1SCc1ccc(-c2ncns2)cc1 3126866 DZPIGKZHJWMJED-UHFFFAOYSA-N 353.299 5.804 0 30 FKAC Clc1cccc(Nc2nc3ccccc3nc2/C=C/c2cccs2)c1 4344087 HGJWAZSWBLAKAT-ZHACJKMWSA-N 363.873 6.259 0 30 FKAC CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2ccccc2O1 90768922 ZKMUFXANNOXADS-PPJWLVRDSA-N 372.637 8.209 0 30 FKAC N#COc1ccc([C@H]2C[C@@H]3C[C@H]2[C@H]2C[C@H](c4ccc(OC#N)cc4)C[C@@H]32)cc1 245224624 ZYDCNZOJNSJLMS-FEXDQFBZSA-N 370.452 5.340 0 30 FKAC Cc1cc(C)c(Nc2nc(-c3cc(-c4ccccc4)no3)cs2)c(C)c1 1031629 UIQPQFVFXOFJDM-UHFFFAOYSA-N 361.470 6.134 0 30 FKAC Cc1ccc(/N=C/c2c(-c3ccccc3Cl)[nH]c3ccccc23)cc1C 4381898 VBSZZDDVPXBQTG-AFUMVMLFSA-N 358.872 6.856 0 30 FKAC O[C@@H](Cc1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1 6096544 MSFKWIPDXNDLPZ-FQEVSTJZSA-N 353.259 5.392 0 30 FKAC O=C(Nc1ccc(C(F)(F)F)cn1)Nc1ccc(-c2ccccc2)s1 1034067 QIOVNMJKRWRIHQ-UHFFFAOYSA-N 363.364 5.473 0 30 FKAC Cc1onc(-c2ccccc2)c1NC(=O)Nc1c(Cl)cccc1Cl 1048106 WNERLKISQHMLLU-UHFFFAOYSA-N 362.216 5.601 0 30 FKAC FC(F)(F)c1ccc(CSc2ncc(-c3ccc(Cl)cc3)o2)cc1 2157794 MRUWAIFSAMGQJZ-UHFFFAOYSA-N 369.795 6.306 0 30 FKAC CC[N+](C)(CC)[C@H](C(=O)Nc1c(C)cc(C)cc1C)c1ccccc1Cl 223680582 WAUUJOMXWPEURW-NRFANRHFSA-O 373.948 5.431 0 30 FKAC COc1ccccc1C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 1044211 ZCIDKUCRJZBFKM-UHFFFAOYSA-N 351.490 5.013 0 30 FKAC c1ccc([C@@H]2[C@@H]3CCCC[C@@H]3[C@H](c3ccccc3)N2c2ccccc2)cc1 141009544 UNYZBQGRTBTNCX-POYMRFPPSA-N 353.509 6.796 0 30 FKAC Clc1ccccc1-n1ccnc1SCc1c(Cl)cccc1Cl 1023998 GCAMVWCSDSVSFX-UHFFFAOYSA-N 369.704 6.125 0 30 FKAC CC(C)(C)/C(=C(/O)c1ccccc1)[C@@]12CC[C@@H]([C@@H](C(C)(C)C)C1=O)C2(C)C 146274786 AVEAKUXEUBBFLC-PYLKMTIFSA-N 368.561 6.669 0 30 FKAC CC(=NNc1nnc(Nc2ccc(Cl)c(Cl)c2)s1)c1ccco1 254618903 TWTQSBFZBGLDDA-UHFFFAOYSA-N 368.249 5.018 0 30 FKAC CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C)CC1 5551224 HOQSLFZFFMMYMC-DLBZAZTESA-N 371.565 5.972 0 30 FKAC ON=C(c1cc2cc3ccccc3nc2s1)c1ccc(Cl)cc1Cl 254791064 JDKKDJZXSLRXNE-UHFFFAOYSA-N 373.264 5.983 0 30 FKAC O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1sccc1Cl 2154304 BQXCGZDUJWGWRF-UHFFFAOYSA-N 373.705 5.691 0 30 FKAC C=C(c1ccc(C(=O)OC)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 13831397 YNHDHMOGKZWQBF-UHFFFAOYSA-N 363.501 5.587 0 30 FKAC in-vitro O=C(C[C@@H](C(=O)c1cccnc1)c1cccs1)c1ccc(Cl)cc1 1043111 REYXUZPEDDIYDH-MRXNPFEDSA-N 355.846 5.036 0 30 FKAC CCCCCCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 5511642 PVYDPFXQCMGQTK-UHFFFAOYSA-N 369.075 5.477 0 30 FKAC CN1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(C(F)(F)F)cc1 4377871 PELXYJMVHMDLKQ-FQEVSTJZSA-N 354.375 5.640 0 30 FKAC O=C(CC=NOCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1 254557769 AANHPUOMJWEOKL-UHFFFAOYSA-N 371.651 5.178 0 30 FKAC Cn1nc(C(F)(F)F)c(C=Nc2ccc(Cl)c(Cl)c2)c1Cl 254699859 OEJXFKPSQNIMME-UHFFFAOYSA-N 356.562 5.150 0 30 FKAC Cc1cc(OC(=O)c2sc3ccccc3c2Cl)c2cc(F)ccc2n1 1026961 XMDMYZRVQYJXEM-UHFFFAOYSA-N 371.820 5.770 0 30 FKAC Cc1ccccc1[C@@H]1Sc2ccccc2N=C2c3ccccc3SC[C@H]21 4343863 HUVJQMFYZLUDNR-JPYJTQIMSA-N 373.546 6.685 0 30 FKAC COC(=O)c1ccc(/C=C/c2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 5782155 QQKFUTGTZXPBGA-SNAWJCMRSA-N 369.420 5.760 0 30 FKAC COc1ccc(C(OCCc2ccccc2)OCCc2ccccc2)cc1 33637084 MCHNHTONQUYDHQ-UHFFFAOYSA-N 362.469 5.212 0 30 FKAC Cc1cccc2cc3c(N)c4c(C(F)(F)F)ccc(Cl)c4nc3nc12 38804767 YVHMZHQZQZJKFW-UHFFFAOYSA-N 361.754 5.499 0 30 FKAC CC[C@H](COC(=O)COc1cc(Cl)c(Cl)cc1Cl)CC(C)C 5651116 FSXCVPNYCBTUSM-NSHDSACASA-N 367.700 5.641 0 30 FKAC CC[C@@H](COC(=O)COc1cc(Cl)c(Cl)cc1Cl)CC(C)C 5651448 FSXCVPNYCBTUSM-LLVKDONJSA-N 367.700 5.641 0 30 FKAC FC(F)(F)c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 1035934 YYJSKEWCSKWUOW-UHFFFAOYSA-N 363.360 5.267 0 30 FKAC Cc1ccc2c(c1)CCCN2CC(=O)N(c1ccccc1)C1CCCCC1 1029726 ZNJIBFPWVMAJLM-UHFFFAOYSA-N 362.517 5.114 0 30 FKAC Clc1ccc(/C=C2\CCC[C@H]3C2=NN[C@@H]3c2ccc(Cl)cc2)cc1 4323584 HDSLHZWRUNNLHN-BDZHWRPJSA-N 357.284 5.877 0 30 FKAC CCCCCCCCCCCCCCCCCCN(CCO)CC(=O)O 111406856 DTHMQQOATHKDNI-UHFFFAOYSA-N 371.606 5.627 0 30 FKAC C[C@H]1CN=C(N(C(=O)Nc2ccc(Cl)cc2)[C@H](C)c2ccccc2)S1 1044149 ANLUEOGLPRCYTA-UONOGXRCSA-N 373.909 5.426 0 30 FKAC FC(F)(F)c1cc(Oc2ccc(Cl)cc2)c2cc(Cl)ccc2n1 4347628 IAYQANJTHHCWRR-UHFFFAOYSA-N 358.146 6.353 0 30 FKAC CCCC[C@@H](CC)C(=O)OCCCCCCCCCCCCCC(C)C 60258535 PHTZMGCAFZLFOL-HSZRJFAPSA-N 368.646 8.083 0 30 FKAC COc1ccc2c(c1)C(C)(C)c1oc3cc(Br)ccc3c1C2=O 114803677 NWWJWZBLIPBAHI-UHFFFAOYSA-N 371.230 5.074 0 30 FKAC O=C(Sc1ccc(OC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 2151957 SGUCUEJLZBOSAA-UHFFFAOYSA-N 366.282 5.537 0 30 FKAC CC(C)(C)c1csc(-c2ccc(N3CCC(C(F)(F)F)CC3)nc2)n1 20230191 UJWAYPIVWRMNPU-UHFFFAOYSA-N 369.456 5.281 0 30 FKAC C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@H]1C=C[C@H]2O 254870157 YWHIUZLVKVDQAM-VUXRACJTSA-N 360.497 5.259 0 30 FKAC Clc1cc(Cl)c2oc3c(Cl)c(Cl)c(Cl)c(Cl)c3c2c1 2569949 UCFGNWHERVQWMZ-UHFFFAOYSA-N 374.865 7.506 0 30 FKAC O=C(O)CCCCCCCCCCCCCCCCCC1CCCCC1 96336247 PAEWIVILEVTEGH-UHFFFAOYSA-N 366.630 8.283 0 30 FKAC CSc1nc(NCc2ccccc2)c2c3c(sc2n1)C[C@@H](C)CC3 1034716 JDRMOQXPCSTLEQ-LBPRGKRZSA-N 355.532 5.150 0 30 FKAC O=C(Nc1ccccc1)n1nccc1C(c1ccccc1)c1ccccc1 4323424 VHBWOPLCRURDFT-UHFFFAOYSA-N 353.425 5.144 0 30 FKAC Cc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc1 4343817 QOHIIMCHEJRGSH-HYBUGGRVSA-N 355.506 6.525 0 30 FKAC C[C@@H](NC(=O)CCc1ccc(C(F)(F)F)cc1)c1cccc2ccccc12 214495497 RCLBQCZMBFPNOQ-OAHLLOKOSA-N 371.402 5.669 0 30 FKAC FC(F)(F)c1sc(-c2nc(-c3ccccc3)no2)cc1-c1ccccc1 2143791 PJHDZYVIURRTBF-UHFFFAOYSA-N 372.371 6.151 0 30 FKAC CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)CC[C@@H]32)C1 211209436 YAZVIHSCBXWIRW-XCMMUJMZSA-N 360.538 5.022 0 30 FKAC CCCCCCCCCCCCCCC/C=C/C[C@@H](CC(=O)O)C(=O)O 111409340 OVQJAEGJPUEXQD-NIQRWSHPSA-N 368.558 6.590 0 30 FKAC Cl[Sn](Cl)(C1CCCCC1)C1CCCCC1 195784514 NXLNBJXGFFFGIT-UHFFFAOYSA-L 355.925 5.575 0 30 FKAC CCOc1ccc(C=CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 2265233866 KUYODTRIVBVNIY-UHFFFAOYSA-N 371.480 5.328 0 30 FKAC C[C@@H](Cc1ccccc1)NP(=O)(Oc1ccccc1)Oc1ccccc1 6021055 POARXUUKTQVRQQ-SFHVURJKSA-N 367.385 5.473 0 30 FKAC O=C(c1ccccc1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl 1033629 GFWLLMAIHVVOFL-UHFFFAOYSA-N 371.267 5.231 0 30 FKAC CSc1cccc(-n2c(C(C)(C)C)cs/c2=N/c2ccccn2)c1 1040754 UJCWRUDEQQWKAZ-DYTRJAOYSA-N 355.532 5.186 0 30 FKAC C[C@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2c1CCCC2 210643574 DYEQMULKZQBEKD-INIZCTEOSA-N 361.451 5.868 0 30 FKAC O=S(=O)(C=Cc1ccccc1)Oc1c(Cl)cc(Cl)cc1Cl 2265267914 MZOFHFZEKXZVQK-UHFFFAOYSA-N 363.649 5.026 0 30 FKAC CCCCCC(=O)Nc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1 2163059 PARUZQMLPCOPQP-UHFFFAOYSA-N 369.852 5.576 0 30 FKAC CCCCCCOc1ccccc1NC(=O)OC1CCN(CCC)CC1 5512241 NHQUOTQZFXGABZ-UHFFFAOYSA-N 362.514 5.069 0 30 FKAC Cc1ccc2oc(/C=C/c3ccc(-c4nc5cc(C)ccc5o4)cc3)nc2c1 5782154 UYEBVQUTQHTYOU-KPKJPENVSA-N 366.420 6.423 0 30 FKAC CC(C)c1ccc(NC(=O)CSCc2csc3ccccc23)cc1 1032893 ZQMXMUBOVRTRQQ-UHFFFAOYSA-N 355.528 5.897 0 30 FKAC C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(S)n1-c1ccccc1 1037102 UGWBKWPRIVHHGS-SNVBAGLBSA-N 366.273 5.003 0 30 FKAC Cc1ccc(S(=O)(=O)n2ccc3c(C4CCCCC4)cccc32)cc1 22001160 XENRXFRJCBHFNW-UHFFFAOYSA-N 353.487 5.234 0 30 FKAC Fc1cccc(F)c1-c1csc(Nc2cccc(C(F)(F)F)c2)n1 1042771 DIKCRKPVBCTKGL-UHFFFAOYSA-N 356.319 5.851 0 30 FKAC CC(C)CCCCCCCCCCCCCCC1=NC(CO)(CO)CO1 38644910 LLLDDDDBYVCSGR-UHFFFAOYSA-N 369.590 5.256 0 30 FKAC Cc1nc2ccccn2c1-c1ccnc(SCc2ccc(Cl)cc2)n1 1031560 CIVIUEATLQYLCR-UHFFFAOYSA-N 366.877 5.045 0 30 FKAC COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)cc1 1026247 OQCCZKUFFXQPQV-UHFFFAOYSA-N 366.870 5.130 0 30 FKAC FC(F)(F)c1cc(-c2ccc3c(c2)CCC3)nc2cc(-c3ccco3)nn12 1040246 FJAHKHMPCDFAPL-UHFFFAOYSA-N 369.346 5.164 0 30 FKAC Cc1cc2c(cc1C)CSC(c1ccc(N(C)C)cc1Cl)SC2 2160515 NOQPWTVRTNEOBZ-UHFFFAOYSA-N 363.979 6.202 0 30 FKAC Cc1sc(Nc2ccccc2)nc1-c1ccc(-c2ccccc2F)cc1 3045954 WSCQNFGYMSPUFR-UHFFFAOYSA-N 360.457 6.668 0 30 FKAC CCC(=O)C(CCCCCCOc1ccc(OC)cc1Cl)C(=O)CC 4211998 DIXRMZGIJNJUGL-UHFFFAOYSA-N 368.901 5.252 0 30 FKAC in-man COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1 4343824 CVBODMUKCAFWCU-GBXCKJPGSA-N 371.505 6.225 0 30 FKAC O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2nsnc2c1 12340900 IEUAZQIRCOGUNS-UHFFFAOYSA-N 362.414 5.128 0 30 FKAC O=C(CC=NOCc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1 263622633 WOHKUUXURDDIDO-UHFFFAOYSA-N 371.651 5.178 0 30 FKAC Cc1cc(C)c2c(c1)CC(C)(C)c1[nH]c(-c3ccc(Cl)cc3Cl)nc1-2 4301524 IIIRRPWXULDRKI-UHFFFAOYSA-N 371.311 6.501 0 30 FKAC Clc1ccc(C=Cc2nnc(SCc3ccccc3)o2)c(Cl)c1 2265278990 OZVJKAAQQAWXCT-UHFFFAOYSA-N 363.269 5.839 0 30 FKAC O=C(NCc1csc2ccc(Cl)cc12)Nc1cccc2ccccc12 1032488 GUFQXVIXJIRBTP-UHFFFAOYSA-N 366.873 6.030 0 30 FKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C 2265352035 YWHWYTRNKBGSRE-NRDXEPGDSA-N 370.665 8.418 0 30 FKAC CSc1nc(NCc2ccccc2)c2c3c(sc2n1)C[C@H](C)CC3 1034717 JDRMOQXPCSTLEQ-GFCCVEGCSA-N 355.532 5.150 0 30 FKAC Clc1cc(Cl)c2c(c1)Oc1c(cc(Cl)c(Cl)c1Cl)O2 5783997 VKDGHBBUEIIEHL-UHFFFAOYSA-N 356.419 6.852 0 30 FKAC Cc1ccc([C@@H]2CN=N[C@]23C(=O)c2ccccc2O[C@@H]3c2ccccc2)cc1 13465791 NAICJOWMLQHUQW-ZTCOLXNVSA-N 368.436 5.300 0 30 FKAC Cc1cc(SCc2c(Cl)cccc2Cl)c(Cl)cc1Cl 3118293 DSWAURJRSDDCNH-UHFFFAOYSA-N 352.113 6.901 0 30 FKAC Cc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)c(C)c1 4301206 JSMWXVJTUPVULE-HSZRJFAPSA-N 360.888 6.313 0 30 FKAC FC(F)(F)Oc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 4390772 GEDDJRZAQPPHSN-UHFFFAOYSA-N 374.240 5.321 0 30 FKAC FC(F)(F)c1cnc(NN=Cc2ccc(Cl)cc2Cl)c(Cl)c1 263629161 ZBNLITJZKSGMGA-UHFFFAOYSA-N 368.573 5.507 0 30 FKAC Clc1cc2c(oc3c(Cl)c(Cl)cc(Cl)c32)c(Cl)c1Cl 2569964 OGTZINCGZYXZCR-UHFFFAOYSA-N 374.865 7.506 0 30 FKAC C[C@@](OCCN1CCCCCCC1)(c1ccccc1)c1ccc(Cl)cc1 4214026 UTJCUSNUTZBJBU-HSZRJFAPSA-N 371.952 5.886 0 30 FKAC in-man Clc1ccc(N=Nc2cnc(-c3cccnc3)nc2-c2ccco2)cc1 254757552 XUTKEVYBLXJEPH-UHFFFAOYSA-N 361.792 5.867 0 30 FKAC CCOC(=O)C1(C)CCC(N(Cc2ccccc2)Cc2ccccc2)CC1 888084739 JYXLOPWZKHCMKJ-UHFFFAOYSA-N 365.517 5.201 0 30 FKAC CC(C)(C=NOCc1ccc(Cl)cc1)Sc1ccc(Cl)cc1 254573382 RNPCJTJHCGDSNF-UHFFFAOYSA-N 354.302 6.067 0 30 FKAC Nc1c(Cl)cc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl 1037867 FTIJAJZMCMUIAK-UHFFFAOYSA-N 350.032 5.135 0 30 FKAC CC(C)(C)c1ccc(C(=O)NCc2csc3ccc(Cl)cc23)cc1 2152562 DVAHFIUSKNUXPV-UHFFFAOYSA-N 357.906 5.782 0 30 FKAC COc1c(Cl)c(Cl)c(Cl)c(-c2ccccc2Cl)c1OC 5998575 IPHVCCXKFMRAOG-UHFFFAOYSA-N 352.044 5.984 0 30 FKAC CC(C)(C)c1ccc(Oc2cccc(C=Cc3ccnc4ncnn34)c2)cc1 2265279110 CNPLRLBPZMFCMQ-UHFFFAOYSA-N 370.456 5.385 0 30 FKAC O=C(c1cn(CCCCCF)c2ccccc12)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 2265364075 WBLLMFXPGHZFFP-YGMNDUCWSA-N 367.508 6.180 0 30 FKAC CCOc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1OC 4336655 WIXLSPWGEOWDJJ-QFIPXVFZSA-N 372.468 5.450 0 30 FKAC [N-]=[N+]=Nc1ccc(/C=C2\CC(O)C/C(=C\c3ccc(N=[N+]=[N-])cc3)C2=O)cc1 38614223 QUVZIPHUYYZGMW-KAVGSWPWSA-N 372.388 5.761 0 30 FKAC CSc1ss/c(=N\c2ccc(C)c(Cl)c2)c1-c1ccccc1 3120165 CBELNDFUAAGGFI-MNDPQUGUSA-N 363.960 6.393 0 30 FKAC CCCCCCCCCCCCCCCCCC[C@H](C)[C@@H](C)C(=O)OC 141692264 QNAJTCHFJVPQHR-XZOQPEGZSA-N 368.646 8.083 0 30 FKAC O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(Cl)cc(Cl)c1 1024572 UGBRZTFAAYLZEQ-UHFFFAOYSA-N 367.235 5.360 0 30 FKAC Cc1onc(-c2ccccc2)c1NC(=O)N1c2ccc(F)cc2CC[C@H]1C 1036366 DUQSNCZQJIDXHJ-CYBMUJFWSA-N 365.408 5.162 0 30 FKAC Clc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C[C@H]32)cc1 4343909 NXJOEMUMGLDHJB-XMSQKQJNSA-N 361.897 6.480 0 30 FKAC C[C@H]1CN=C(N(C(=O)Nc2cccc(Cl)c2)[C@@H](C)c2ccccc2)S1 1044143 BDQMMSVSXWXVTE-KBPBESRZSA-N 373.909 5.426 0 30 FKAC CCCCOc1cc(NC(=O)c2ccccc2)c(OCCCC)cc1[N+]#N 5514296 JKRUPKVOFQRUIG-UHFFFAOYSA-O 368.457 5.781 0 30 FKAC COc1ccc(-c2ccnc(SCc3c(F)cccc3Cl)n2)cc1 1040330 JUMZTYGXLKILEZ-UHFFFAOYSA-N 360.841 5.237 0 30 FKAC O=C(c1ccccc1)N1c2cc(Cl)ccc2O[C@H]1c1ccc(Cl)cc1 1024666 UIFOMOHRVWVIFQ-FQEVSTJZSA-N 370.235 5.731 0 30 FKAC CC(C)n1c(SCC(=O)C(C)(C)C)nc2cc(C(F)(F)F)ccc21 1047634 ZUGVUTBLYZKMAF-UHFFFAOYSA-N 358.429 5.343 0 30 FKAC Fc1ccc(-c2csc(-c3ccc(-c4cccs4)s3)n2)cc1F 3467254 MONFQDYSAJPFHU-UHFFFAOYSA-N 361.463 6.545 0 30 FKAC CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)(C)C 5440781 JSOVGYMVTPPEND-UHFFFAOYSA-N 354.619 7.693 0 30 FKAC CS(=O)(=O)c1cc(Cl)c(-c2ccc(Cl)c(Cl)c2)cc1Cl 33650447 JQUKTDLZMGSALF-UHFFFAOYSA-N 370.084 5.371 0 30 FKAC CCCCc1ccc(Cn2cc[n+](Cc3ccc(CCCC)cc3)c2)cc1 60248884 WBVDNSOLWOROFJ-UHFFFAOYSA-N 361.553 5.557 0 30 FKAC Cc1onc(-c2ccccc2Cl)c1NC(=O)Nc1c(F)cccc1F 1048583 DDNZKLMOBJXZNE-UHFFFAOYSA-N 363.751 5.226 0 30 FKAC O=C(CCCCCCCC(=O)OCc1ccccc1)OCc1ccccc1 5933525 AEPUKSBIJZXFCI-UHFFFAOYSA-N 368.473 5.204 0 30 FKAC CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1NCC(=O)N(c1ccccc1)C1CCCCC1 13464302 UESVZIGYWSMKFB-JKFKMHIGSA-N 368.565 5.157 0 30 FKAC Oc1ccccc1-c1nnc(Nc2ccc(Cl)cc2)n1-c1ccccc1 38174776 HKBDKEDHEYTSLB-UHFFFAOYSA-N 362.820 5.037 0 30 FKAC Cc1c(S(=O)(=O)Nc2ccc(Cl)cc2)sc2ccc(Cl)cc12 1040523 HPJKFUQBFRYZLO-UHFFFAOYSA-N 372.298 5.317 0 30 FKAC O=C(CCSc1c(Cl)cccc1Cl)c1ccc(Cl)s1 1040604 IKVPCJHBHJUIHD-UHFFFAOYSA-N 351.707 6.073 0 30 FKAC CCSc1cc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2)cn1 1042955 VDNYFPDHQOLCFN-UHFFFAOYSA-N 360.788 5.118 0 30 FKAC CC(C)(C)n1c(-c2ccc(F)cc2)csc1=NCc1ccc(Cl)cc1 254849104 OCBUCTZXXHUIBN-UHFFFAOYSA-N 374.912 5.865 0 30 FKAC CC(=NOC(=O)c1cccc(C)c1)c1sc(-c2ccccc2)nc1C 254865657 RHBWSRQRWUDTTE-UHFFFAOYSA-N 350.443 5.008 0 30 FKAC CCCCCC[C@H](O)C[C@@H](Cl)[C@@H](Cl)CCCCCCCC(=O)O 256087804 AODBHFIRNOOMDL-YESZJQIVSA-N 369.373 5.738 0 30 FKAC COc1ccc2cc([C@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2c1 1046287 NNGYKXDLDSEIEI-LBPRGKRZSA-N 374.267 5.897 0 30 FKAC N#COc1ccc([C@@H]2C[C@H]3[C@H]4C[C@@H]([C@H]3C2)[C@H](c2ccc(OC#N)cc2)C4)cc1 101789107 ZYDCNZOJNSJLMS-MZICDQERSA-N 370.452 5.340 0 30 FKAC COc1ccc(C(=O)Nc2nc(-c3ccc(C)c(Cl)c3)c(C)s2)cc1 1029312 LNYVYLMXZWGKTC-UHFFFAOYSA-N 372.877 5.341 0 30 FKAC Clc1ccccc1[C@@H]1[C@H]2CCc3ccccc3C2=NN1c1ccccc1 4335018 XLCDVAKWKSHORV-NZQKXSOJSA-N 358.872 5.868 0 30 FKAC CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C[C@H](C)C4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 263584115 KDLNOQQQEBKBQM-GBRBOHNZSA-N 372.549 5.476 0 30 FKAC CC(C)(C)SC(=S)SCC(=O)c1ccc(Cl)c(Cl)c1 2148797 ODGCMPURSGHMBR-UHFFFAOYSA-N 353.361 5.726 0 30 FKAC Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1-c1ccc(Cl)cc1 2159268 SGWNBCVIEISSMP-UHFFFAOYSA-N 355.868 7.044 0 30 FKAC CC(C)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2265351542 FBCZMVKZFVTWFK-FNSNMFKQSA-N 372.637 7.287 0 30 FKAC CC(C)(C)c1ccc(-c2cc3ncnc(Nc4ccccc4)c3s2)cc1 4307238 FCDXLYXYKFLUCB-UHFFFAOYSA-N 359.498 6.399 0 30 FKAC O=C(Nc1ccc(F)cc1)Nc1sccc1-c1nc2ccccc2s1 1035199 RUVRTBVETDHJQY-UHFFFAOYSA-N 369.446 5.808 0 30 FKAC O=C(NCc1c(Cl)cccc1Oc1ccccc1)Nc1ccccc1 1032512 OHXGDRBSQPDOHG-UHFFFAOYSA-N 352.821 5.454 0 30 FKAC O=C(O)c1cccc2cccc(Sc3cccc4cccc(CO)c34)c12 1039003 MKRLUVBXVXIKTG-UHFFFAOYSA-N 360.434 5.335 0 30 FKAC Cc1nn(-c2ccccc2)c(C)c1-c1nc(-c2ccc(C(C)(C)C)cc2)no1 1043625 USPYZYABGMIAAH-UHFFFAOYSA-N 372.472 5.504 0 30 FKAC CC(=NOC(=O)c1c(Cl)cccc1Cl)[C@H]1C[C@H]1c1ccc(F)cc1 4091590 LHZIYWLWDILKIM-KGLIPLIRSA-N 366.219 5.469 0 30 FKAC FC(F)(F)c1ccc(-c2csc(COc3ccccc3Cl)n2)cc1 4390761 VEFCYBFCGFMJNM-UHFFFAOYSA-N 369.795 6.061 0 30 FKAC Clc1cc2oc3c(Cl)cc(Cl)c(Cl)c3c2c(Cl)c1Cl 5784180 WLGQZUOHEXTWFH-UHFFFAOYSA-N 374.865 7.506 0 30 FKAC O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2F)cc1 1043877 YRPNZWCOFWBDTQ-UHFFFAOYSA-N 359.322 5.764 0 30 FKAC Cc1ccc2cc(CN(Cc3ccco3)C(=O)C3CC3)c(Cl)nc2c1C 1367728 VSEYVOWSVGSHRR-UHFFFAOYSA-N 368.864 5.037 0 30 FKAC Cc1c(C)c(C)c(CSCc2c(C)c(C)c(C)c(C)c2C)c(C)c1C 3161747 BASWJUSWJMKCCQ-UHFFFAOYSA-N 354.603 7.204 0 30 FKAC CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C)CC1 5550861 HOQSLFZFFMMYMC-SJORKVTESA-N 371.565 5.972 0 30 FKAC Cc1c(COC(=O)Nc2ccc(Cl)cc2Cl)sc2ccccc12 2151812 ONZRWGCCZHNCMH-UHFFFAOYSA-N 366.269 6.265 0 30 FKAC CC(C)Cc1ccc(C=CC(=O)Nc2ccc(C3CCCCC3)cc2)cc1 2265279598 CYEUSDQKXVPRST-UHFFFAOYSA-N 361.529 6.585 0 30 FKAC CCCC[C@H](CC)C(=O)NCCCCCCNC(=O)[C@@H](CC)CCCC 5822033 XZVMGPSLFYINSC-PMACEKPBSA-N 368.606 5.212 0 30 FKAC O=C(Nc1ccc(F)cc1)[C@H](Sc1ccc(Cl)cc1)c1ccccc1 3135204 FTSCUVSWGHFKKN-LJQANCHMSA-N 371.864 5.951 0 30 FKAC C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1 202783912 ILSUSBULBRBBLD-MRXNPFEDSA-N 357.419 6.142 0 30 FKAC CCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(CC)cc3)cc2)CC1 250221966 XFAMGWJNYCCGTL-MXVIHJGJSA-N 350.502 6.542 0 30 FKAC O=C(Oc1ccc(Cl)cc1)c1c(-c2ccccc2)nnc2ccccc12 1039981 YPPIKWJGAUDIMP-UHFFFAOYSA-N 360.800 5.169 0 30 FKAC COc1ccc(COC(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1 2581995 UDCSECKCIHHFRO-UHFFFAOYSA-N 361.608 5.371 0 30 FKAC CCO[C@]1(c2ccccc2)SC(c2ccccc2)=NN1c1ccccc1 142236559 GUUNEWFFBJHSOE-JOCHJYFZSA-N 360.482 5.449 0 30 FKAC Cc1ccc(CNC(=O)c2cccnc2Sc2cccc(Cl)c2)cc1 1044550 VBDVIBKDKNTCPA-UHFFFAOYSA-N 368.889 5.125 0 30 FKAC Cc1cc(NC(=O)c2ccc(CSCc3ccc(Cl)cc3)cc2)no1 1047314 XAXJEKVVJQPBBZ-UHFFFAOYSA-N 372.877 5.322 0 30 FKAC CC(C)=CCc1cccc2c([C@@H](C=C(C)C)c3c[nH]c4ccccc34)c[nH]c12 13365939 MFLJSVIXUBIVEJ-QFIPXVFZSA-N 368.524 7.256 0 30 FKAC biogenic CC(C)(C)c1ccc(OC(=O)C2c3ccccc3Oc3ccccc32)cc1 2145748 UCODUMWFPMROQC-UHFFFAOYSA-N 358.437 5.827 0 30 FKAC C[C@H](NCc1ccc(C(F)(F)F)cc1)c1cccc(Br)c1 35231293 JMKAIHHGGYELPC-NSHDSACASA-N 358.201 5.319 0 30 FKAC CCCC1=C(C(C)C)NC(C(C)C)=C([C@@H](C)O)[C@@H]1c1ccc(F)cc1O 101774066 OINVVPOIGFSNHM-JLTOFOAXSA-N 361.501 5.219 0 30 FKAC CC(C)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2265351541 FBCZMVKZFVTWFK-FLUFWIIWSA-N 372.637 7.287 0 30 FKAC COc1ccc(C(=O)NCc2c(Cl)cccc2Oc2ccccc2)cc1 1046687 JVSCXAOOKKIZRL-UHFFFAOYSA-N 367.832 5.071 0 30 FKAC CCCCC[Sn](Cl)(CCCCC)CCCCC 195753053 LKGICXFRDGZQHA-UHFFFAOYSA-M 367.593 6.741 0 30 FKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@]12C 2265351342 DTGDZMYNKLTSKC-FDEHDPPTSA-N 370.665 8.418 0 30 FKAC O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1csc2ccccc12 1035603 UVZPNHRHCDUEDK-UHFFFAOYSA-N 352.337 5.444 0 30 FKAC CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1cccs1 13465839 TVMPTDDDIVIKTA-RLLQIKCJSA-N 355.547 5.851 0 30 FKAC CCCCCC[Sn](Cl)(Cl)CCCCCC 195764205 AXQSJCWCXATTNE-UHFFFAOYSA-L 359.957 6.067 0 30 FKAC Cc1cccc(C(C)(C)C)c1NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 1048716 RPEAHGBEDSDDPK-UHFFFAOYSA-N 373.562 5.635 0 30 FKAC CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 2265347484 CRRKVZVYZQXICQ-SZMVRVGJSA-N 358.522 5.086 0 30 FKAC CC(C)(C)Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@H]2c1ccc(O)cc1 2265356107 ZUJUDNNWZQBYJB-ILBGXUMGSA-N 372.508 6.431 0 30 FKAC CSc1nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2s1 1040332 PLCZRVQCNCDWLT-UHFFFAOYSA-N 368.405 5.289 0 30 FKAC FC(F)(F)c1cc(NC(=S)N2CCCCCC2)cc(C(F)(F)F)c1 1045681 PSZCSVOCSIJLFE-UHFFFAOYSA-N 370.362 5.297 0 30 FKAC FC(F)(F)c1cc(-c2nc(-c3ccccc3)cs2)cc(C(F)(F)F)c1 3138717 ZOIZQTYPMKESAR-UHFFFAOYSA-N 373.321 6.515 0 30 FKAC CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](C)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 96331680 SFNSGHUMGYWJGF-SHQMNJCLSA-N 372.549 5.332 0 30 FKAC O=C(C[C@H](C(=O)c1ccccc1)c1cccs1)c1ccc(Cl)cc1 1043108 SLBCSDIPOZQOJZ-KRWDZBQOSA-N 354.858 5.641 0 30 FKAC CCCCCCCCCc1ccc(C(=O)c2ccccc2C(=O)O)cc1 100060294 RIMAJWNGTMFZOT-UHFFFAOYSA-N 352.474 5.909 0 30 FKAC O=C(O)c1ccc2cc(Nc3ccc4cc(C(=O)O)ccc4c3)ccc2c1 1774021002 QCRBBYHQQSIYKL-UHFFFAOYSA-N 357.365 5.133 0 30 FKAC CCOP(=O)(CC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)OCC 1776031973 PSFYAOJGSHGYLT-UHFFFAOYSA-N 368.454 5.730 0 30 FKAC O=C(Nc1ccc(Cl)cc1)Nc1cc(C2CC2)nn1-c1ccccc1 1037296 MOPGJLMTQGVSOG-UHFFFAOYSA-N 352.825 5.047 0 30 FKAC Clc1ccccc1OCc1nc(-c2ccc3c(c2)OCCCO3)cs1 1047010 ZOWYXWKOEHARCJ-UHFFFAOYSA-N 373.861 5.204 0 30 FKAC Cc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4SC[C@@H]32)cc1 4343871 KLKAXPKRJXGJAH-FDDCHVKYSA-N 373.546 6.685 0 30 FKAC Clc1ccc(-c2csc(COc3ccccc3Cl)n2)cc1Cl 4390755 OTJUUWLHTKOOLV-UHFFFAOYSA-N 370.688 6.349 0 30 FKAC O=C(NCc1ccc(-c2cccs2)cc1)c1ncoc1-c1ccccc1 1034877 NFLDNXSDUWNOLW-UHFFFAOYSA-N 360.438 5.000 0 30 FKAC O=C(Oc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccn2)s1 1037673 FDWFVTFGTWVWGG-UHFFFAOYSA-N 350.226 5.336 0 30 FKAC FC(F)(F)C1CCN(c2nc3c(Cl)cc(Cl)cc3s2)CC1 1035847 QCJNXRNBKWDNGU-UHFFFAOYSA-N 355.212 5.382 0 30 FKAC CCOC(=O)c1csc(Cc2c(Cl)sc3ccc(Cl)cc23)n1 1040539 LHXNIUTZJXIPGG-UHFFFAOYSA-N 372.298 5.432 0 30 FKAC CCOC(=O)c1c(SC)nc2ccc(Cl)cc2c1Oc1ccccc1 1039870 ZUWCWCVVRVGUTM-UHFFFAOYSA-N 373.861 5.579 0 30 FKAC CCCCCC[C@@H]1C=C[C@H](CCCCCCCC(=O)O)[C@@H](C(=O)O)C1 113176015 JMUKALCRCFJQTI-QYZOEREBSA-N 352.515 5.665 0 30 FKAC ClC1=C(C=NOCc2ccc(Cl)cc2Cl)CCc2ccccc21 254849851 YKFFROOBAVJFJS-UHFFFAOYSA-N 366.675 6.092 0 30 FKAC O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2F)cc1 1043882 QJYCMNAWWBSURR-UHFFFAOYSA-N 359.322 5.764 0 30 FKAC O=C(Nc1ccccc1)c1cccnc1Oc1cccc(C(F)(F)F)c1 6096841 VHLJOTFFKVPIAA-UHFFFAOYSA-N 358.319 5.145 0 30 FKAC CC(C)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 5761619 JUHFQCKQQLMGAB-UHFFFAOYSA-N 368.369 6.455 0 30 FKAC in-vitro Brc1ccc2c(c1)-c1cccc3c(Br)ccc-2c13 90549971 BWEMYDQPGWAUSX-UHFFFAOYSA-N 360.048 6.012 0 30 FKAC O=C(Nc1ccccc1)Nc1cccc(NC(=O)Nc2ccccc2)c1F 1024127 GOKXHKONWYTAOW-UHFFFAOYSA-N 364.380 5.114 0 30 FKAC C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 96332221 BIGINLZPDKMEPQ-NJLKQEBUSA-N 362.554 5.117 0 30 FKAC O=C(NCc1ccc(-c2ccc(F)cc2F)o1)Nc1ccc(Cl)cc1 1024206 SDUVXDNHZBZMAV-UHFFFAOYSA-N 362.763 5.200 0 30 FKAC Cc1ccc(-c2nc(NC(=O)Nc3ccccc3)sc2C)cc1Cl 1033477 GJKNDOHISBJWPZ-UHFFFAOYSA-N 357.866 5.724 0 30 FKAC C(=C/C(c1ccccc1)c1ccccc1)\C(c1ccccc1)c1ccccc1 49181996 RGENHAIEWBJGMD-QURGRASLSA-N 360.500 7.207 0 30 FKAC c1ccc([C@@H]2C[C@H](c3ccccc3)[C@@H]3CCc4ccccc4[C@@H]3S2)cc1 604973072 NGMRZFICYASRNN-NDBXHCKUSA-N 356.534 6.952 0 30 FKAC O=C(NCc1c(Cl)cccc1Oc1ccccc1)c1ccc(Cl)cc1 3171193 YCWVUMHNBSKTEP-UHFFFAOYSA-N 372.251 5.716 0 30 FKAC CC(=O)O[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253497928 OCALFWPYWJWRRG-ZJUNXMLLSA-N 360.538 5.166 0 30 FKAC CC(=NOC(=O)c1c(Cl)cccc1Cl)[C@@H]1C[C@@H]1c1ccc(F)cc1 4091586 LHZIYWLWDILKIM-UONOGXRCSA-N 366.219 5.469 0 30 FKAC Cc1c(-c2csc(-c3ccc(C(C)(C)C)cc3)n2)sc2ccccc12 4390710 MITONVMFGDNWIN-UHFFFAOYSA-N 363.551 7.298 0 30 FKAC O=C(O)CCCSC(c1ccccc1)(c1ccccc1)c1ccccc1 90694834 UDFBOXVPLSTPEC-UHFFFAOYSA-N 362.494 5.577 0 30 FKAC CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1SCc1ccccc1 1031960 AMIRKYYODDGKCC-UHFFFAOYSA-N 368.889 5.600 0 30 FKAC COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1OC 4336654 XGBFTJIDMRDJBZ-OAQYLSRUSA-N 358.441 5.060 0 30 FKAC Cc1ccc(-c2nc(C)ncc2N=Nc2cc(Cl)cc(Cl)c2)cc1 254442391 YKUKSHOSICGXHX-UHFFFAOYSA-N 357.244 6.483 0 30 FKAC CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 2265347485 CRRKVZVYZQXICQ-ZEPKUMPTSA-N 358.522 5.086 0 30 FKAC O=c1c2ccccc2c(-c2ccccc2)nn1-c1cccc(C(F)(F)F)c1 1024708 TYJVVLCRQITWPD-UHFFFAOYSA-N 366.342 5.072 0 30 FKAC COc1cc(C(F)(F)F)c(-c2nc(-c3ccc(Cl)cc3)cs2)cn1 3126384 GIGCQNQEIYLDFJ-UHFFFAOYSA-N 370.783 5.553 0 30 FKAC CCCCCC[C@@H]1C=C[C@H](CCCCCCCC(=O)O)C[C@H]1C(=O)O 100050823 RYKIXDBAIYMFDV-IPMKNSEASA-N 352.515 5.665 0 30 FKAC Clc1ccc(CSc2nnc(C=Cc3ccccc3)o2)cc1Cl 2265278929 AQCVRVWEARPXFP-UHFFFAOYSA-N 363.269 5.839 0 30 FKAC Cc1ccc(C(=O)C[C@@H](Sc2ccccc2N)c2ccsc2)cc1 1046037 PSCQMLDSVXTISV-HXUWFJFHSA-N 353.512 5.745 0 30 FKAC O=C(Nc1ccc(-c2cccs2)cc1)Nc1ccc2nsnc2c1 12340888 PHTFTDASJDXHLF-UHFFFAOYSA-N 352.444 5.064 0 30 FKAC Clc1ccc(NN=Cc2ccc(OCc3ccccc3)cc2)c(Cl)c1 254315634 AJDSKVDGUMJXCF-UHFFFAOYSA-N 371.267 6.018 0 30 FKAC Clc1ccc([C@@H]([C@@H]2C=Nc3ccccc32)[C@H]2C=Nc3ccccc32)cc1 669367210 LMBUQSNCUQVJMW-NPHXMPSESA-N 356.856 6.423 0 30 FKAC CC(C)(C)c1ccc(CN2C(=O)SC(=Cc3ccc(F)cc3)C2=O)cc1 4105386 PMMFAYZUELIAGO-UHFFFAOYSA-N 369.461 5.360 0 30 FKAC S=C(NCCc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 1041694 OOEGYCYOIKNGCK-UHFFFAOYSA-N 359.709 5.176 0 30 FKAC CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(C(F)(F)F)cc2Cl)n1 4390640 MPGQEZJLEQAYKP-UHFFFAOYSA-N 358.835 6.140 0 30 FKAC O=C(Nc1ccc(F)cc1)c1ccc(CSc2ccc(Cl)cc2)o1 1048624 HJVCNPHUVXWDMA-UHFFFAOYSA-N 361.825 5.617 0 30 FKAC O=C(NCCSCc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 4390590 ZZKBKVUSCCBUSG-UHFFFAOYSA-N 373.827 5.022 0 30 FKAC Cc1csc2sc(-c3ccnc(SCc4ccccc4)n3)c(C)c12 1038246 YYWXRHXFUYZEPJ-UHFFFAOYSA-N 368.552 6.329 0 30 FKAC CCCCC[C@](C)(O)CC[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 4212836 JERCJPRNXXOPNI-UEXGIBASSA-N 354.531 5.118 0 30 FKAC in-man N#Cc1c(-c2ccco2)cc(-c2cccnc2)nc1-c1c[nH]c2ccccc12 238790937 HCTWSJWTHLGZEP-UHFFFAOYSA-N 362.392 5.424 0 30 FKAC CC(=O)O[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 253497925 OCALFWPYWJWRRG-FODKAXTRSA-N 360.538 5.166 0 30 FKAC Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1-c1ccccc1 1032528 KYSLWIOMMOXRMQ-UHFFFAOYSA-N 356.347 5.328 0 30 FKAC CNC(=O)Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1 1042763 HTWRSYNFSQEHHC-UHFFFAOYSA-N 362.216 5.067 0 30 FKAC Cc1cc2c(cc1C)Oc1cc(Br)c(Br)cc1O2 223518687 IIKSEONWAPAGCM-UHFFFAOYSA-N 370.040 5.726 0 30 FKAC Cc1ccc(-c2csc(-c3ccc(C4SCCS4)cc3)n2)cc1 4390742 PEKCJALWFNRNFQ-UHFFFAOYSA-N 355.553 6.264 0 30 FKAC C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3cccnc3)CC[C@@H]12 13782531 KSNHBAFYACINHV-NQQYONMLSA-N 353.550 5.569 0 30 FKAC O=C(CSc1ccc(F)cc1)Nc1ccc(C2SCCS2)cc1 1037372 VCUBOXISNHDJPA-UHFFFAOYSA-N 365.520 5.035 0 30 FKAC CCOC(=O)CCc1ccc(OCc2c(C)c(C)c(C)c(C)c2C)cc1 1048092 PLZYAVYPDCANLS-UHFFFAOYSA-N 354.490 5.303 0 30 FKAC CC(C)(C)CC(C)(C)NC(=O)[C@@H](Sc1ccccc1N)c1ccccc1 3135218 PUVQOSBIDPJDOM-IBGZPJMESA-N 370.562 5.433 0 30 FKAC O=C(Nc1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccco1 4324992 GQCRWVOLMRSKRW-UHFFFAOYSA-N 362.212 5.418 0 30 FKAC CSc1sc(C(=O)Sc2ccc(Cl)cc2)c2c1C=CCC2 4349740 QFTAVMKRFMHWCL-UHFFFAOYSA-N 352.933 6.015 0 30 FKAC Clc1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)s1 1028331 UQYHBGUMTUHNIG-UHFFFAOYSA-N 361.904 5.711 0 30 FKAC O=C(O)c1ccccc1C1c2cc(Cl)ccc2Oc2ccc(Cl)cc21 38632871 MVRFQTSVOAXJOW-UHFFFAOYSA-N 371.219 5.978 0 30 FKAC CCCC[C@@H](CC)C(=O)NCCCCCCNC(=O)[C@H](CC)CCCC 5821718 XZVMGPSLFYINSC-WOJBJXKFSA-N 368.606 5.212 0 30 FKAC C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@]45C[C@@H](CC[C@]4(C)[C@H]3CC[C@@]21C)O5 2265362179 YSTDFDDNDUJRJE-OQJBFGAMSA-N 374.565 5.668 0 30 FKAC Cc1cc(C(C)(C)C)c(C)c(Cc2c(C)c(C(C)(C)C)cc(C)c2O)c1O 38656551 DJSBWVGTMWCHHL-UHFFFAOYSA-N 368.561 6.517 0 30 FKAC CN(C(=O)CSc1cc(Cl)ccc1Cl)c1ccc(F)cc1F 1044556 OWCGSMOOVNHARW-UHFFFAOYSA-N 362.228 5.027 0 30 FKAC Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccc3c(c2)OCO3)cc1 4371699 HRUAGARLNLHWIZ-NRFANRHFSA-N 356.425 5.079 0 30 FKAC Clc1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 2568314 RUEIBQJFGMERJD-UHFFFAOYSA-N 360.882 7.274 0 30 FKAC Cc1nnsc1-c1nc(-c2ccc(-c3ccccc3F)cc2)c(C)s1 3045995 RRMJXHIPQAMTGT-UHFFFAOYSA-N 367.474 5.752 0 30 FKAC O=C(NCc1c(Cl)cccc1Oc1ccccc1)c1c(F)cccc1F 1046686 XPIKTGCANARYDM-UHFFFAOYSA-N 373.786 5.341 0 30 FKAC Cc1ccc2nc(C(F)(F)F)cc(N3CCC(n4cccc4)CC3)c2c1 20443739 RZGARPJEWGXZPO-UHFFFAOYSA-N 359.395 5.205 0 30 FKAC O=C(O)c1cc(-c2cnc(-c3cccc(Cl)c3)s2)n2ccccc12 953057210 KHQCALPGHHVSKI-UHFFFAOYSA-N 354.818 5.081 0 30 FKAC FC(F)(F)c1cnc(COc2cc(Cl)cc(Cl)c2)c(Cl)c1 1031903 DKPWEVSZPJKDAL-UHFFFAOYSA-N 356.558 5.640 0 30 FKAC Cc1nnc(SCc2ccccc2)nc1C=CNc1ccc(Cl)cc1 2265276943 YUEJPHHBWTVRPU-UHFFFAOYSA-N 368.893 5.209 0 30 FKAC CCCc1c(-c2nc(-c3ccc(Cl)cc3)no2)cnn1-c1ccccc1 1026469 AJSPVSOJRKJKDA-UHFFFAOYSA-N 364.836 5.195 0 30 FKAC CC(C)(C)c1ccc(NC(=O)C=Cc2ccc(-c3ccccc3)cc2)cc1 2265279675 RGPDNCKRMFCKFJ-UHFFFAOYSA-N 355.481 6.303 0 30 FKAC C[C@@H]1CN=C(N(C(=O)Nc2cccc(Cl)c2)[C@H](C)c2ccccc2)S1 1044146 BDQMMSVSXWXVTE-ZIAGYGMSSA-N 373.909 5.426 0 30 FKAC O=C(Sc1ccccc1)c1cc2c(s1)-c1cc(Cl)ccc1SC2 2151563 FLAZDECMGUBXPA-UHFFFAOYSA-N 374.939 6.607 0 30 FKAC Cc1nn(-c2ccccc2)c(C)c1C(=O)Oc1ccc(Cl)cc1Cl 1043618 HRGHSOTWNFRZCX-UHFFFAOYSA-N 361.228 5.015 0 30 FKAC CC1(C)C(=O)C(C)(C)C12ON(c1ccccc1)[C@@H](c1ccccc1)S2 142220221 KPRDONQAWOJKFW-QGZVFWFLSA-N 353.487 5.202 0 30 FKAC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1cccs1 1037029 TVMPTDDDIVIKTA-YZGWKJHDSA-N 355.547 5.851 0 30 FKAC Clc1ccc(-c2csc(-c3ccc(-c4cccs4)s3)n2)cc1 3466943 MNNSPYDPNMKCBJ-UHFFFAOYSA-N 359.928 6.921 0 30 FKAC CC(C)(C)Oc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@@H]2c1ccc(O)cc1 2265356110 ZUJUDNNWZQBYJB-ZCYQVOJMSA-N 372.508 6.431 0 30 FKAC Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)Nc1ccc(Cl)cc1 2144294 POFFGAXUKMYUGB-UHFFFAOYSA-N 357.690 5.203 0 30 FKAC CC(C)Cc1ccc([C@H](C)c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 4390573 NCJRGGANZJJXNU-AWEZNQCLSA-N 374.406 6.106 0 30 FKAC Cc1c(-c2cc(NC(=O)c3ccccc3)[nH]n2)sc2ccc(Cl)cc12 1040590 LFOPYMHIFKBUTQ-UHFFFAOYSA-N 367.861 5.506 0 30 FKAC CC(C)CCC[C@H](C)CCOC(=O)C(=O)OCC[C@@H](C)CCCC(C)C 33637086 JOXPDGWFATYEII-PMACEKPBSA-N 370.574 5.778 0 30 FKAC C[C@@H](NCCCc1ccccc1C(F)(F)F)c1cccc2ccccc12 204471932 GYYWMGJOMCUDDS-MRXNPFEDSA-N 357.419 6.142 0 30 FKAC in-vitro CC(C)(C)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 3131807 WTUIBANRKHZCIZ-UHFFFAOYSA-N 359.274 5.059 0 30 FKAC O=C(C1=NNC[C@@H]1c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 4343154 OFCRSYFFPLRDCE-QGZVFWFLSA-N 369.251 5.072 0 30 FKAC Cc1nc(-c2cc(-c3nc(-c4ccc(C(C)(C)C)cc4)no3)no2)cs1 1031498 KASGIGKLTHIVRY-UHFFFAOYSA-N 366.446 5.121 0 30 FKAC FC(F)(F)Oc1ccccc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1 2159037 SNOKKJFGBZSAPC-UHFFFAOYSA-N 374.240 5.321 0 30 FKAC O=C(CSc1nc2ccccc2cc1CC1CCCC1)NC1CCCC1 6393410 BVNGWBWNHKGEER-UHFFFAOYSA-N 368.546 5.118 0 30 FKAC CCOC1(c2ccccc2)C2Cc3ccccc3CC1Cc1ccccc1C2 196566575 SHPFBERYAMCRPX-UHFFFAOYSA-N 368.520 5.748 0 30 FKAC c1ccc([C@@H]2C[C@H](c3ccccc3)[C@H]3CCc4ccccc4[C@H]3S2)cc1 604973073 NGMRZFICYASRNN-ZKGSSEMHSA-N 356.534 6.952 0 30 FKAC Clc1cccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1Cl 2568310 WDLTVNWWEZJMPF-UHFFFAOYSA-N 360.882 7.274 0 30 FKAC CS(=O)(=O)c1cc(Cl)cc(-c2ccc(Cl)c(Cl)c2)c1Cl 6019564 OASFWKBBFHJGDH-UHFFFAOYSA-N 370.084 5.371 0 30 FKAC CCCCCCCCCCCCCCCCCC(=O)N(C)CCC(=O)O 59468693 GMHCJCQMNYOULB-UHFFFAOYSA-N 369.590 6.181 0 30 FKAC CCN(C)[C@H]1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)C1 22860885 HLPPSQPFFGNHHE-HKUYNNGSSA-N 372.965 5.114 0 30 FKAC Oc1ccc(/C(=C(\Br)c2ccccc2)c2ccccc2)cc1 31440965 XUBABWJOIJRXNS-VXPUYCOJSA-N 351.243 5.704 0 30 FKAC Nc1ccc(OCCCCCCCCCCOc2ccc(N)cc2)cc1 34099428 NGMJQNYIDZLGFP-UHFFFAOYSA-N 356.510 5.430 0 30 FKAC S=C(CCC(=S)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 1042288 PNAHVSPVWMXQAD-UHFFFAOYSA-N 369.342 5.952 0 30 FKAC Clc1cc2c(c(Cl)c1Cl)Oc1c(ccc(Cl)c1Cl)O2 2569332 VUMZAVNIADYKFC-UHFFFAOYSA-N 356.419 6.852 0 30 FKAC CSc1nnc(SCc2nc(-c3ccc(Cl)cc3)cs2)s1 1047505 VUFXKIIHJWRJFT-UHFFFAOYSA-N 371.965 5.329 0 30 FKAC Clc1ccc(SCc2nnc(-c3cc(Cl)cc(Cl)c3)o2)cc1 12369651 ZHCQYQLOVATLMT-UHFFFAOYSA-N 371.676 5.989 0 30 FKAC CCCCCc1cc2c(c(O)c1C(=O)O)[C@@H]1C=C(C)CC[C@@H]1C(C)(C)O2 14722846 UCONUSSAWGCZMV-CVEARBPZSA-N 358.478 5.434 0 30 FKAC biogenic FC(F)(F)c1cc(-c2cc(Cl)cc(Cl)c2)nc(-c2ccccc2)n1 217032882 XEQZNAROUWYBFQ-UHFFFAOYSA-N 369.173 6.136 0 30 FKAC CN[C@@H](C)[C@@H](OB1[C@H]2CCC[C@H](CCC2)[C@@H]1[Si](C)(C)C)c1ccccc1 2265340058 ZOZYQBFBLCMBTA-RXZUFOQRSA-N 371.450 5.946 0 30 FKAC Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(C(C)(C)C)cc1 4390799 MMTLTWXZMKVONF-UHFFFAOYSA-N 367.876 6.458 0 30 FKAC CC(C)(C)c1ccc(OP(=O)(O)Oc2ccc(C(C)(C)C)cc2)cc1 5439872 NMZURFAPYNEBQQ-UHFFFAOYSA-N 362.406 5.840 0 30 FKAC CCN(CC)c1ccc([C@]2(c3ccc(C)cc3)OC(=O)c3ccccc32)cc1 111895023 ITVGBYWULHOXRJ-VWLOTQADSA-N 371.480 5.304 0 30 FKAC ClC(Cl)(Cl)C(OCCc1ccccc1)OCCc1ccccc1 6096208 LMQHAMIDZPBQNY-UHFFFAOYSA-N 373.707 5.201 0 30 FKAC CC(C)c1cc(Br)c(Br)cc1Br 90764911 PVLAYJSXFLUWPB-UHFFFAOYSA-N 356.883 5.098 0 30 FKAC O=C(NCc1c(Cl)cccc1Oc1ccccc1)Nc1ccc(F)cc1 1032511 HGNOAIHRVMCXAI-UHFFFAOYSA-N 370.811 5.593 0 30 FKAC O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@H]1CCCc2ccccc21 1032896 PBCMDRJRPJEGSM-QHCPKHFHSA-N 372.468 5.465 0 30 FKAC Clc1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc1 1035057 WQORHUPMPBVFBB-UHFFFAOYSA-N 355.875 5.649 0 30 FKAC CCCOc1ccc(C=CC(=O)Nc2ccc(Br)c(C)c2)cc1 2265279694 VJCQGMWVRKAMFD-UHFFFAOYSA-N 374.278 5.198 0 30 FKAC Cc1c(/C=C/C(=O)Oc2c(Cl)cccc2Cl)sc2ccccc12 2151753 DJRXMGBQVOFMJI-MDZDMXLPSA-N 363.265 6.135 0 30 FKAC Cc1cc(OCc2c(C)c(C)c(C)c(C)c2C)c2cc(Cl)ccc2n1 1032990 SEZNBZPBPNAMGI-UHFFFAOYSA-N 353.893 6.318 0 30 FKAC CC(C)(C)C(=O)Oc1ccc(C(=O)C=Cc2cccc3ccccc23)cc1 4118260 FIVCFHHFTUZUBZ-UHFFFAOYSA-N 358.437 5.687 0 30 FKAC biogenic Cc1c(-c2ccccc2)s/c(=N\C(=O)c2ccccc2)n1-c1ccccc1 100109195 WCXNUUDVDSNLSW-VHXPQNKSSA-N 370.477 5.255 0 30 FKAC CC(C)C1=CC2=CC[C@H]3[C@]4(CCC[C@]3(C)[C@@H]2CC1)C(=O)OCC12CC4(C1)C2 201350135 KFQMNUPIUPNWIH-OPLQIVLISA-N 366.545 5.829 0 30 FKAC O=C(Oc1cccc(F)c1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 1034131 KXRARTYLFGYYLD-UHFFFAOYSA-N 367.159 5.737 0 30 FKAC CC(C)CCCCCCCCCCCCCCC(=O)NCCCN(C)C 5757988 NZXVYLJKFYSEPO-UHFFFAOYSA-N 368.650 6.172 0 30 FKAC C[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1Br 34992156 HNECDKANJSWXEX-NSHDSACASA-N 358.201 5.319 0 30 FKAC c1ccc([C@@H]2C[C@H](c3ccccc3)[C@@H]3CCc4ccccc4[C@H]3S2)cc1 604973071 NGMRZFICYASRNN-FQUZAXHOSA-N 356.534 6.952 0 30 FKAC CCCC[C@@H](CC)C(=O)OCC(C)(C)COC(=O)[C@H](CC)CCCC 5514652 GORMSINSWZJIKL-QZTJIDSGSA-N 356.547 5.532 0 30 FKAC Cc1cc(O)cc(C(C)(C)C)c1Sc1c(C)cc(O)cc1C(C)(C)C 5765163 MHIIENSHBMGNJE-UHFFFAOYSA-N 358.547 6.461 0 30 FKAC Fc1cccc(-c2csc(-c3ccc(C4SCCS4)cc3)n2)c1 1046848 QMRDTSXYOXPCMR-UHFFFAOYSA-N 359.516 6.095 0 30 FKAC CCCCC[Sn](CC)(CCCCC)CCCCC 196218411 CDWMCYFKJSPKDI-UHFFFAOYSA-N 361.202 7.026 0 30 FKAC O=C(/C=C/c1cccs1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1042307 WIPCKHZAWRSZTN-ONEGZZNKSA-N 365.298 5.438 0 30 FKAC COc1ccc(-c2c(-c3ccccc3)sc3ccc([N+](=O)[O-])cc23)cc1 5733549 VKUYFWWGGQCZBO-UHFFFAOYSA-N 361.422 6.152 0 30 FKAC N#Cc1ccc(-c2ccc(-c3nc(Cl)nc(-c4ccccc4)n3)cc2)cc1 219928566 HYNOBDZGTWEVRA-UHFFFAOYSA-N 368.827 5.398 0 30 FKAC CC(C)CCC[C@H](C)CCOC(=O)C(=O)OCC[C@H](C)CCCC(C)C 33637085 JOXPDGWFATYEII-BGYRXZFFSA-N 370.574 5.778 0 30 FKAC COc1ccc(Oc2ncccc2NC(=O)c2cccc3ccccc23)cc1 1043431 YMIWAQXNJMCYLV-UHFFFAOYSA-N 370.408 5.288 0 30 FKAC CCCCC/C=C(/C/C=C\CCCCCCCC(=O)O)S(=O)(=O)O 33953598 BLYFBIUJESJYLP-ZIBMQLNRSA-N 360.516 5.100 0 30 FKAC CC(C)CCC[C@@H](C)C1=C2CC[C@@H]3[C@@H]4CCCC[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 299803270 FJCFWXCCRMONIJ-NKEYDFRPSA-N 370.665 8.562 0 30 FKAC CCc1cc(CC)c(NC(=S)Nc2ccc(C)cc2Cl)c(CC)c1 2160941 DDIYJDLFYUPDKN-UHFFFAOYSA-N 360.954 6.145 0 30 FKAC O=C(Nc1ccc(C2SCCS2)cc1)c1ccc(Cl)cc1Cl 1037370 BBSPVUCRSVIYAU-UHFFFAOYSA-N 370.326 5.724 0 30 FKAC CCCC1=C(C(C)C)NC(C(C)C)=C([C@@H](C)O)[C@H]1c1ccc(F)cc1O 100130110 OINVVPOIGFSNHM-VLIAUNLRSA-N 361.501 5.219 0 30 FKAC CC(C)(C)c1ccc(SC(=O)c2ccc(OCC(F)(F)F)nc2)cc1 1035848 FKIWPQDVOKSZGE-UHFFFAOYSA-N 369.408 5.253 0 30 FKAC COC(=O)c1sc(C(C)(C)C)cc1CSc1ccc(Cl)cc1 3119691 GAJRAUUZLXCYDQ-UHFFFAOYSA-N 354.924 5.778 0 30 FKAC CC(C)(C)c1ccc(-c2nc(CSc3ccc(Cl)cc3)no2)s1 4389458 CNSWRWHZCAPKAB-UHFFFAOYSA-N 364.923 6.041 0 30 FKAC Cc1cc(-c2ccccc2)nc2oc(C(=O)c3ccc(Cl)cc3)c(N)c12 1033694 PTUPQUYNWMTMIC-UHFFFAOYSA-N 362.816 5.270 0 30 FKAC COc1cccc(C(=O)Nc2ccc(C=Cc3nc4ccccc4o3)cc2)c1 2265278940 GLPCVSUDRPSEBY-UHFFFAOYSA-N 370.408 5.259 0 30 FKAC CCOC(=O)c1c(C)csc1NC(=O)Nc1c(Cl)cccc1Cl 1026215 PIOUYKPCBYVKET-UHFFFAOYSA-N 373.261 5.184 0 30 FKAC Cc1nc(C)c(Oc2ccc(Cl)cc2Cl)c(NCc2ccccc2)n1 1035783 RHTYTHMRFIYBTK-UHFFFAOYSA-N 374.271 5.805 0 30 FKAC COc1ccc(C(=O)n2nccc2-c2ccc(-c3cccs3)s2)cc1 1039503 CNUUGOYQBZCJTA-UHFFFAOYSA-N 366.467 5.037 0 30 FKAC Oc1ccc(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C2)cc1 1043900 RJSHIIMXIGGILA-OAQYLSRUSA-N 365.885 6.404 0 30 FKAC Clc1ccc(-c2nnc(COc3ccccc3Cl)o2)cc1Cl 1047374 PZYLYMOXFFKQJR-UHFFFAOYSA-N 355.608 5.276 0 30 FKAC S=c1sc(Nc2cc(Cl)ccc2Cl)nn1-c1ccccc1 1045183 UDLCFASSRQYPAK-UHFFFAOYSA-N 354.287 5.714 0 30 FKAC CC(C)c1ccc(NC(=O)c2c(-c3ccccc3)nnc3ccccc23)cc1 1039984 GLTAHFIAHCUBAN-UHFFFAOYSA-N 367.452 5.673 0 30 FKAC O=C(Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1)C1CCC1 1047083 MECPTCATUIYUHL-UHFFFAOYSA-N 369.827 5.070 0 30 FKAC Clc1cccc(Cl)c1CSc1nnc(C=Cc2ccccc2)o1 2265279039 FBZCJGMFDNCPAE-UHFFFAOYSA-N 363.269 5.839 0 30 FKAC CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 5551472 DEWSJDIJFWQLOA-RTBURBONSA-N 356.506 5.956 0 30 FKAC O=C(Nc1ccccc1Oc1ccc(Cl)cc1Cl)c1cccs1 1040726 HWSNYTYMSRWZIW-UHFFFAOYSA-N 364.253 6.100 0 30 FKAC Cc1c(C)c(C)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1C 1048730 HDBWTYMFMFWFFU-UHFFFAOYSA-N 372.317 5.336 0 30 FKAC Clc1cc(Cl)c2c(oc3c(Cl)c(Cl)cc(Cl)c32)c1Cl 5783901 TURXXOIFVABBPW-UHFFFAOYSA-N 374.865 7.506 0 30 FKAC O=C(C=Cc1cccc2ccccc12)Nc1ccc(Oc2ccccc2)cc1 2265279698 VUIDCPIZGAFJJJ-UHFFFAOYSA-N 365.432 6.284 0 30 FKAC Cc1cc(OCc2ccc(Cl)cc2Cl)cc2c1C(=O)CC(C)(C)O2 1043282 BLKFXIUNQOBMCJ-UHFFFAOYSA-N 365.256 5.625 0 30 FKAC Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1 4391992 ZEQINFJCCRIZIB-UHFFFAOYSA-N 371.937 5.725 0 30 FKAC C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1Br 34992157 HNECDKANJSWXEX-LLVKDONJSA-N 358.201 5.319 0 30 FKAC Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1 2568313 XBBRGUHRZBZMPP-UHFFFAOYSA-N 360.882 7.274 0 30 FKAC in-vitro O=C(Oc1cccc(C(F)(F)F)c1)c1ccc(-c2cccs2)s1 1039574 WLZNGQKMTWQVTN-UHFFFAOYSA-N 354.374 5.715 0 30 FKAC O=C(Nc1ccccc1)Sc1cc(C(F)(F)F)cc(C(F)(F)F)c1 3149404 KKSHGEUAOJMCFB-UHFFFAOYSA-N 365.298 6.048 0 30 FKAC CCCc1c(NC(=O)Nc2ccc(F)cc2)cnn1-c1ccc(Cl)cc1 1026482 MUDXLSHABDQWGE-UHFFFAOYSA-N 372.831 5.261 0 30 FKAC O=C(C1=NNC[C@H]1c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 4343155 OFCRSYFFPLRDCE-KRWDZBQOSA-N 369.251 5.072 0 30 FKAC Clc1cc(Cl)c2c(c1)oc1c(Cl)c(Cl)c(Cl)c(Cl)c12 5784034 BKIXWRBZCQEZAQ-UHFFFAOYSA-N 374.865 7.506 0 30 FKAC Brc1ccc(N(Cc2ccccc2)Cc2ccccc2)nc1 136335057 UUZMHDDSEJRBJY-UHFFFAOYSA-N 353.263 5.051 0 30 FKAC Cc1c(CC(=O)Nc2ccc(Cl)cc2)sc2ccc(Cl)cc12 1040531 PXNMZSDHTYSSBD-UHFFFAOYSA-N 350.270 5.698 0 30 FKAC Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 1042056 DTRRFYNBBLHQCN-OAQYLSRUSA-N 367.901 6.029 0 30 FKAC COc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 32264523 KBUDNFPVYKDUSA-UHFFFAOYSA-N 366.460 6.066 0 30 FKAC Cc1cc(N(Cc2cccc(Cl)c2Cl)C(=O)c2ccccc2)no1 1042841 XUGHFSKODSWAQE-UHFFFAOYSA-N 361.228 5.137 0 30 FKAC COc1cccc(-c2cc(N)n(-c3c(Cl)cc(Cl)cc3Cl)n2)c1 1037380 XEVCDVHPWLEGJW-UHFFFAOYSA-N 368.651 5.090 0 30 FKAC Cc1cc(OCc2c(C)c(C)c(C)c(C)c2C)c2c(Cl)ccc(C)c2n1 3046285 NLRUOTIWVSFXFM-UHFFFAOYSA-N 367.920 6.626 0 30 FKAC O=C(Nc1ccncc1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F 1029332 LXNSRJDAVKXYBL-UHFFFAOYSA-N 366.726 5.266 0 30 FKAC O=C(c1ccccc1)c1sc(Nc2ccc(F)cc2)nc1-c1ccccc1 4334610 HGXUPBJZEHDXFQ-UHFFFAOYSA-N 374.440 5.924 0 30 FKAC C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33902791 AZFLHSKQKSZOET-HVATVPOCSA-N 374.565 5.283 0 30 FKAC COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2c2ccccc2)cc1 4301203 GVNLZOKWERIELU-XMMPIXPASA-N 356.469 5.668 0 30 FKAC CCCCCOc1ccccc1NC(=O)OC1CCN(CCCC)CC1 5513076 DWLOVEIGEBYBRZ-UHFFFAOYSA-N 362.514 5.069 0 30 FKAC COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc1 1037033 CVBODMUKCAFWCU-YKSBVNFPSA-N 371.505 6.225 0 30 FKAC O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(Cl)c(Cl)c1 1040874 GXIQMXVDYWUZDK-UHFFFAOYSA-N 371.072 5.101 0 30 FKAC O=C(Sc1ncccc1C(F)(F)F)c1cccc(C(F)(F)F)c1 1047867 WJHIDNKETWBTHS-UHFFFAOYSA-N 351.271 5.052 0 30 FKAC Clc1ccc2sc(SCc3c(Cl)cccc3Cl)nc2c1 4323877 HRIIDOFDOGAJJW-UHFFFAOYSA-N 360.718 6.549 0 30 FKAC O=C(C=Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(F)c(Cl)c1 2265279667 PPGGFBQTDPRJPX-UHFFFAOYSA-N 359.706 5.030 0 30 FKAC FC(F)(F)c1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1 90483982 USDUKEKZMWZZCR-UHFFFAOYSA-N 359.989 6.986 0 30 FKAC CC(C)(C)c1cc2nc(-c3ccc4c(c3)CCC4)cc(C(F)(F)F)n2n1 1040205 DSXYBRSZACOPQO-UHFFFAOYSA-N 359.395 5.201 0 30 FKAC Clc1ccc(/C=C2\CCC[C@@H]3C2=NN[C@H]3c2ccc(Cl)cc2)cc1 4323585 HDSLHZWRUNNLHN-PQOYOPPMSA-N 357.284 5.877 0 30 FKAC COc1ccc([C@@H]2[C@@H]3CSc4ccccc4C3=NN2c2ccccc2)cc1 4376026 PBSPMOFTODQNBN-NFBKMPQASA-N 372.493 5.383 0 30 FKAC CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C[C@H](C)C4=CCCC[C@]4(C)[C@@H]3CC[C@@]21C 263584117 KDLNOQQQEBKBQM-VOCCNPEBSA-N 372.549 5.476 0 30 FKAC Cc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc1 4343819 QOHIIMCHEJRGSH-YKSBVNFPSA-N 355.506 6.525 0 30 FKAC FC(F)(F)Oc1ccc(/C=C/c2nnc(-c3ccc(Cl)cc3)o2)cc1 4390588 CVCOUPZIJAPOHN-XCVCLJGOSA-N 366.726 5.459 0 30 FKAC CC(C)=CC[C@H](CC[C@H](C)C(=O)O)c1coc(-c2cc(O)ccc2O)c1 223702027 VCDSBBIDUCDNJF-LSDHHAIUSA-N 358.434 5.299 0 30 FKAC Clc1ccccc1[C@H]1[C@H]2CCc3ccccc3C2=NN1c1ccccc1 4335019 XLCDVAKWKSHORV-REWPJTCUSA-N 358.872 5.868 0 30 FKAC CC(C)(C)c1ccc(-c2nnc(SCc3ccc(Cl)cc3)s2)cc1 4377451 AFPZOWWZCZYXIO-UHFFFAOYSA-N 374.962 6.448 0 30 FKAC S=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(-c2cccs2)n[nH]1 1040141 ZFARAEWJXQDNTB-UHFFFAOYSA-N 369.302 5.254 0 30 FKAC Cc1c(Br)c(C(F)(F)F)nn1-c1c(Cl)cccc1Cl 536555958 SCCNNECWVRRFSF-UHFFFAOYSA-N 373.987 5.269 0 30 FKAC C(=Cc1ccccc1)CSc1nc2nccc(C=Cc3ccccc3)n2n1 2265279060 KFLLCMHCSPCOIK-UHFFFAOYSA-N 370.481 5.100 0 30 FKAC CCOC(=O)c1cc(C)ccc1NC(=O)c1sc2ccccc2c1Cl 1026752 RFFQGFQQCXZIJZ-UHFFFAOYSA-N 373.861 5.292 0 30 FKAC Cc1cc(C)c(Nc2nnc(SCC(=O)c3ccccc3)s2)cc1C 1045634 LINKNOBQEVHUFD-UHFFFAOYSA-N 369.515 5.182 0 30 FKAC Cc1c(S(=O)(=O)Oc2ccccc2Cl)sc2ccc(Cl)cc12 2147937 DAPXKPOUUOHSKJ-UHFFFAOYSA-N 373.282 5.284 0 30 FKAC CCCCC[C@](C)(O)CC[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 5820943 JERCJPRNXXOPNI-OPYAIIAOSA-N 354.531 5.118 0 30 FKAC in-man CC(C)(C)n1c(-c2ccccc2)csc1=NCc1ccc(Cl)cc1 254706384 RVWQAGXUKUBOIP-UHFFFAOYSA-N 356.922 5.726 0 30 FKAC CCc1cccc(CC)c1Nc1nc2c(Cl)c(Cl)ccc2s1 3086657 OHYNAQSLHCREKC-UHFFFAOYSA-N 351.302 6.472 0 30 FKAC N=c1scc(-c2ccc(Cl)cc2)n1-c1cccc(Cl)c1Cl 4306924 QWPGICICOZDKKB-UHFFFAOYSA-N 355.677 5.645 0 30 FKAC C[C@@H](NC(=O)CCc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1 214495630 ZZUYQIKCSITLIO-OAHLLOKOSA-N 371.402 5.669 0 30 FKAC Cc1cc(C(F)(F)F)nc2c(Cl)c(-c3ccc(C(C)(C)C)cc3)nn12 1037651 NWIGZRXADKYWJG-UHFFFAOYSA-N 367.802 5.674 0 30 FKAC CCCc1ccc(C(=O)Nc2cccnc2Oc2ccc(OC)cc2)cc1 1043422 BPEQUHXAIWFXMV-UHFFFAOYSA-N 362.429 5.087 0 30 FKAC Cc1ccccc1N=c1oc2ccccc2cc1-c1nc2ccccc2[nH]1 252676172 WFPGLINMIBVOOJ-UHFFFAOYSA-N 351.409 5.517 0 30 FKAC Cc1ccc(NC(=O)NCc2csc3ccc(Cl)cc23)cc1Cl 1032486 KPBZVOOUUPCSFW-UHFFFAOYSA-N 365.285 5.838 0 30 FKAC Cc1cccc(/N=c2\scc(-c3cccs3)n2Cc2ccccc2)n1 100223342 RDOLVNCDZRFRJH-XDOYNYLZSA-N 363.511 5.262 0 30 FKAC Cc1ccnc(C(C)C)c1NC(=O)c1cc(Cl)c(Cl)nc1Cl 2382215912 QZVFSQVVOBJRFK-UHFFFAOYSA-N 358.656 5.121 0 30 FKAC FC(F)(F)c1cnc(SCc2c(Cl)cccc2Cl)c(Cl)c1 2153731 XYJIHCYZJYVIPF-UHFFFAOYSA-N 372.626 6.353 0 30 FKAC Clc1cccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C[C@@H]32)c1 4343907 WXBPCAALBKLWFH-AVRDEDQJSA-N 361.897 6.480 0 30 FKAC COc1ccccc1[C@@H]1CC(c2ccccc2O)=Nc2ccccc2S1 1043894 COQMYOKLDGRWKY-QFIPXVFZSA-N 361.466 5.759 0 30 FKAC Clc1ccc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1 2568315 CXXRQFOKRZJAJA-UHFFFAOYSA-N 360.882 7.274 0 30 FKAC C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(S)n1-c1ccccc1 1037101 UGWBKWPRIVHHGS-JTQLQIEISA-N 366.273 5.003 0 30 FKAC c1ccc([C@@H]2[C@@H]3CCCC[C@H]3[C@@H](c3ccccc3)N2c2ccccc2)cc1 32224312 UNYZBQGRTBTNCX-VEYUFSJPSA-N 353.509 6.796 0 30 FKAC CCC[C@H]1CC[C@H](OC(=O)c2ccc([C@H]3CC[C@H](CC)CC3)cc2)CC1 267326110 HDTDVUVMQFJBQI-BGYRUQQZSA-N 356.550 6.886 0 30 FKAC Cc1ccc(C(=O)Nc2nc(-c3ccc(C)c(Cl)c3)c(C)s2)cc1 1029064 ZZPQCSYCVINTCF-UHFFFAOYSA-N 356.878 5.641 0 30 FKAC COc1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl 2242747 NGFRBDQAKZEZJX-UHFFFAOYSA-N 364.870 6.769 0 30 FKAC Cc1cccc2c1N(C(=O)Nc1ccc(OCc3ccccc3)cc1)CCC2 1034317 FCPQGKUNIIJMDF-UHFFFAOYSA-N 372.468 5.559 0 30 FKAC N=c1scc(-c2ccc(Cl)cc2)n1-c1cc(Cl)ccc1Cl 4306922 VNVXPCRHBUBKRB-UHFFFAOYSA-N 355.677 5.645 0 30 FKAC O=C(CSc1ncccc1C(F)(F)F)c1cccc(C(F)(F)F)c1 1047863 NTKFRQSBWVOLPD-UHFFFAOYSA-N 365.298 5.094 0 30 FKAC CC(C)(C)c1cc(C(C)(C)C)n(-c2ncc(C(F)(F)F)cc2Cl)n1 4390645 OVZNLCAOYQJADK-UHFFFAOYSA-N 359.823 5.535 0 30 FKAC CC(C)=CCC/C(C)=C\CC/C(C)=C\CNC(=O)c1ccccc1S 113558964 ZHQTWFUVMJMJTC-PCCVJEDISA-N 357.563 6.124 0 30 FKAC CC(C)C1=CC2=CC[C@@H]3[C@]4(CCC[C@]3(C)[C@@H]2CC1)C(=O)OCC12CC4(C1)C2 201350167 KFQMNUPIUPNWIH-YWWJEFOZSA-N 366.545 5.829 0 30 FKAC N#Cc1c(-c2ccccc2)cc(-c2cccnc2)nc1-c1c[nH]c2ccccc12 238790963 FFBZGKBRSWPBSS-UHFFFAOYSA-N 372.431 5.831 0 30 FKAC c1ccc(Oc2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc1 13376230 ZBABOJPAZZKCKF-UHFFFAOYSA-N 354.405 7.064 0 30 FKAC COc1cccc(Cc2nnc(-c3ccc(-c4cccs4)s3)o2)c1 1035273 VRZBGPDDXFSDBB-UHFFFAOYSA-N 354.456 5.126 0 30 FKAC Clc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl 2568323 ZAGRQXMWMRUYRB-UHFFFAOYSA-N 360.882 7.274 0 30 FKAC biogenic c1ccc(Oc2cccc(Oc3cccc(Oc4ccccc4)c3)c2)cc1 1687815 MVCITNPWSJQCBC-UHFFFAOYSA-N 354.405 7.064 0 30 FKAC O=C(Oc1ccccc1N1CCCCC1)c1sc2ccccc2c1Cl 4307718 NDZBHJNBSNUPAA-UHFFFAOYSA-N 371.889 5.764 0 30 FKAC CCCC[Sn](CCCC)(CCCC)C(F)=C(F)F 195846279 PWGPFNBKVNMDLK-UHFFFAOYSA-N 371.075 6.452 0 30 FKAC Clc1cc(Cl)c2c(c1)Oc1cc(Cl)c(Cl)c(Cl)c1O2 5783999 UAOYHTXYVWEPIB-UHFFFAOYSA-N 356.419 6.852 0 30 FKAC CC(C)(C)c1ccc(C(=O)N2N=C(Nc3ccccc3)SC2(C)C)cc1 2157112 DNITXSXGJDDCMH-UHFFFAOYSA-N 367.518 5.292 0 30 FKAC C1=C\CC[C@@H](N2CCCCC2)[C@H]2CC[C@@H](S2)[C@@H](N2CCCCC2)CC/1 256004334 UJAQOHJCAKZQSY-NDHOOYSVSA-N 362.627 5.090 0 30 FKAC Cc1ccc(-c2c3c(nn2-c2ccccc2)-c2cc(C)ccc2OCC3)cc1 33901474 WFRNUOVWNCRHCA-UHFFFAOYSA-N 366.464 5.758 0 30 FKAC CC(C)Sc1c(Cl)cccc1NC(=O)Nc1ccc(Cl)cc1 1040186 OVYZCZITDNHFOH-UHFFFAOYSA-N 355.290 6.138 0 30 FKAC CCCOc1ccc(C=CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 2265279699 VYAQWNLEAJCENJ-UHFFFAOYSA-N 373.452 5.920 0 30 FKAC COc1ccc(/C=C/C2=[N+](C)c3cc(C)cc(C)c3C2(C)C)cc1OC 96347570 AFMPXPBQUUGEON-PKNBQFBNSA-N 350.482 5.040 0 30 FKAC CC(C)=CCC[C@H](C)CC(OCc1ccccc1)OCc1ccccc1 38647130 UFVIUXYEJWOMIA-NRFANRHFSA-N 352.518 6.519 0 30 FKAC Clc1cc2oc3c(Cl)c(Cl)c(Cl)c(Cl)c3c2cc1Cl 2568378 LVYBAQIVPKCOEE-UHFFFAOYSA-N 374.865 7.506 0 30 FKAC biogenic,in-vitro C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@H](CCCCCF)[C@H]3[C@@H]1CC[C@@H]2O 604971583 BMKNHWLYRPVVGC-RBEAKBERSA-N 360.513 5.365 0 30 FKAC CN(C)c1ccc([C@H]2O[C@H](c3ccccc3)C[C@H](c3ccccc3)O2)cc1 1531861537 SJRMPIVJJKXQPC-BKFWDETESA-N 359.469 5.671 0 30 FKAC COc1ccccc1C=CC(=O)c1ccccc1OC(=O)c1ccc(C)cc1 4118228 QSIRFRAEWHIFTA-UHFFFAOYSA-N 372.420 5.119 0 30 FKAC CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@]1(C)CCc2ccccc2O1 299803571 ZKMUFXANNOXADS-FXSPECFOSA-N 372.637 8.209 0 30 FKAC COc1ccc(C(=O)Nc2cccnc2Sc2ccc(Cl)cc2)cc1 1043473 WHBONCPQWDKGEO-UHFFFAOYSA-N 370.861 5.147 0 30 FKAC Cc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1 4343821 QOHIIMCHEJRGSH-GBXCKJPGSA-N 355.506 6.525 0 30 FKAC Cc1c(CC(=O)Nc2cccc(Cl)c2)sc2ccc(Cl)cc12 12367507 DYHUWHRITVXVAX-UHFFFAOYSA-N 350.270 5.698 0 30 FKAC O=C(CCCCCCCC(=O)OC1CCCCC1)OC1CCCCC1 5188822 WDBJAELSRFRZAG-UHFFFAOYSA-N 352.515 5.469 0 30 FKAC Clc1cccc(Cl)c1CSc1nccc(C=Cc2ccccc2)n1 2265278786 HBDMKQRHRLSPJS-UHFFFAOYSA-N 373.308 6.246 0 30 FKAC COc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(O)c1 984733 MJIHVLNAIDXQTF-QFIPXVFZSA-N 361.466 5.759 0 30 FKAC COc1ccc(CON=C(C)c2ccc3noc(-c4ccccc4)c3c2)cc1 1397441 WKCXFXZOKAHYEU-UHFFFAOYSA-N 372.424 5.444 0 30 FKAC C1=C\CC[C@H](N2CCCCC2)[C@H]2CC[C@@H](S2)[C@@H](N2CCCCC2)CC/1 256004335 UJAQOHJCAKZQSY-PZWNCJJBSA-N 362.627 5.090 0 30 FKAC O=C(OCCc1csc2ccccc12)c1ccc(C(F)(F)F)cc1 1046050 VLVFAHLWCIFDQU-UHFFFAOYSA-N 350.361 5.320 0 30 FKAC Clc1ccc(/C=C2\CCC[C@H]3C2=NN[C@H]3c2ccc(Cl)cc2)cc1 4323586 HDSLHZWRUNNLHN-WIGMZFAJSA-N 357.284 5.877 0 30 FKAC CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(Br)cc21 38526351 XRXWEWROZPBVFS-UHFFFAOYSA-N 352.272 5.386 0 30 FKAC CC1=C[C@@H]2c3c([nH]c4ccccc34)[C@@H](c3c[nH]c4ccccc34)[C@@H]2C(C)(C)C1 86006936 CZJCZWZKBWLSQX-PUZWTLIVSA-N 366.508 6.871 0 30 FKAC biogenic Cc1cc(OCC(=O)N(c2ccccc2)C2CCCCC2)c2ccccc2n1 1029248 AMFUWCDVOURXSZ-UHFFFAOYSA-N 374.484 5.288 0 30 FKAC Cc1sc(-c2ccsc2)nc1-c1ccc(-c2ccccc2F)cc1 3045998 GXTWGSZINWHUPF-UHFFFAOYSA-N 351.471 6.653 0 30 FKAC Cc1ccccc1[C@H]1Sc2ccccc2N=C2c3ccccc3SC[C@@H]21 4343864 HUVJQMFYZLUDNR-FDDCHVKYSA-N 373.546 6.685 0 30 FKAC C(=C/c1ccccc1)\COC(Cc1ccccc1)OC/C=C/c1ccccc1 44712408 KYKTVHZQISJUQV-XOBNHNQQSA-N 370.492 6.015 0 30 FKAC c1ccc(N(CN(c2ccccc2)c2ccccc2)c2ccccc2)cc1 5421518 YKYJSUGMSFMGHC-UHFFFAOYSA-N 350.465 6.621 0 30 FKAC FC(F)(F)c1ccncc1-c1nc(-c2cc(Cl)cc(Cl)c2)no1 1042912 LBEVVPMEMDAVCE-UHFFFAOYSA-N 360.122 5.124 0 30 FKAC CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](O)C[C@@H]21 5511542 UEKGZFCGRQYMRM-GUDVDZBRSA-N 374.565 6.056 0 30 FKAC biogenic,in-man Clc1cccc(Nc2ncnc3sc(Nc4ccccc4)nc23)c1 26896961 XAOQLMYQJOGKIM-UHFFFAOYSA-N 353.838 5.227 0 30 FKAC Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C(C)C)C(C)C 5212063 MYBPJDZQVPJWIM-UHFFFAOYSA-N 355.265 5.216 0 30 FKAC Cc1ccc(-n2cccc2)c(NC(=O)[C@H](c2ccccc2)C2CCCC2)c1 1033082 IIOCHIFSTNKADR-HSZRJFAPSA-N 358.485 5.698 0 30 FKAC Clc1ccc(SCSc2ccc(Cl)c(Cl)c2)cc1Cl 2169928 PVURINFQLWSBRK-UHFFFAOYSA-N 370.153 7.142 0 30 FKAC CC(C)(C)C(=O)NCc1c(Cl)cccc1Sc1ccc(Cl)cc1 4323463 WSPYJZDBTFBKPW-UHFFFAOYSA-N 368.329 5.807 0 30 FKAC Clc1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl 2383341 NDZIBNJHNBUHKW-UHFFFAOYSA-N 369.289 7.414 0 30 FKAC in-vitro CCc1ccc(-c2ccc(C(=O)Nc3nnc(C(C)(C)C)s3)cc2)cc1 2162795 AFVYHKZEPHXLIA-UHFFFAOYSA-N 365.502 5.317 0 30 FKAC COc1cccc(Cn2c(C=Cc3ccccc3)nc3cc(C)c(C)cc32)c1 2265276870 FHWRMUBGMHFXPN-UHFFFAOYSA-N 368.480 5.880 0 30 FKAC CC(C)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 1024594 LLHDMZCWGSTMMI-UHFFFAOYSA-N 358.441 5.315 0 30 FKAC O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 1047609 QAFHXNQGYBBPCS-UHFFFAOYSA-N 364.253 5.623 0 30 FKAC CCCC[C@H](CC)C(=O)OCC(C)(C)COC(=O)[C@@H](CC)CCCC 5514991 GORMSINSWZJIKL-ROUUACIJSA-N 356.547 5.532 0 30 FKAC CCCC(=O)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1ccccc1 1043920 WECJHNKFMMLWRT-XMMPIXPASA-N 368.480 6.086 0 30 FKAC Cc1ccc(-n2c(Cc3c(C)oc4ccccc34)n[nH]c2=S)cc1Cl 1045998 XMTKXLJTJRDZSP-UHFFFAOYSA-N 369.877 5.537 0 30 FKAC c1cc[n+](CCCCCCCCCCCCCC[n+]2ccccc2)cc1 5846264 BAROVFANZMEZJO-UHFFFAOYSA-N 354.582 5.643 0 30 FKAC Cc1nc(Nc2ccccc2)sc1C(=O)c1cc2ccccc2s1 1034339 QKBBGXPDXFPDQB-UHFFFAOYSA-N 350.468 5.641 0 30 FKAC Clc1cc(Cl)c(Cl)c(-c2c(Cl)cccc2Cl)c1Cl 2568319 CLODVDBWNVQLGO-UHFFFAOYSA-N 360.882 7.274 0 30 FKAC Cc1c(/C=C/c2ccnc(SCc3ccccc3)n2)sc2ccccc12 4365888 PMLOGRQPCWCKGR-VAWYXSNFSA-N 374.534 6.462 0 30 FKAC CC(C)(C)c1ccc(-c2noc(CSc3ccc(Cl)cc3)n2)cc1 3135252 GMVFCIZOWOGIET-UHFFFAOYSA-N 358.894 5.980 0 30 FKAC Clc1cccc(Nc2ncc(-c3ccc4c(c3)OCCCO4)s2)c1 4394875 DMPCQWILPPTDJM-UHFFFAOYSA-N 358.850 5.368 0 30 FKAC O=[N+]([O-])c1cc(Cl)ccc1/C=C/c1ccc(Cl)cc1Br 39179339 QIMRRJVNBNOXSO-OWOJBTEDSA-N 373.033 5.835 0 30 FKAC CCCCOC(=O)c1ccc(N(CCCC)C(=O)N(C)CCCC)cc1 585138951 RFHJGZWVDITJEL-UHFFFAOYSA-N 362.514 5.102 0 30 FKAC CSc1nn(-c2ccccc2)cc1C(=O)Sc1ccc(Cl)cc1 1039899 FRBZQNCTFFJXGY-UHFFFAOYSA-N 360.891 5.180 0 30 FKAC c1ccc2oc(-c3csc(-c4ccc(-c5ccno5)s4)n3)cc2c1 12340422 KHEOMPYIORSKNI-UHFFFAOYSA-N 350.424 5.940 0 30 FKAC CCc1cccc(CC)c1NC(=O)COc1ccc2c(c1)OC(C)(C)C=C2 36048103 YLIUABIBSBWLMG-UHFFFAOYSA-N 365.473 5.013 0 30 FKAC Cc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4SC[C@@H]32)cc1 4343873 KLKAXPKRJXGJAH-MBSDFSHPSA-N 373.546 6.685 0 30 FKAC C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 1024758 KMZYEKYHJBROPY-JTQLQIEISA-N 361.285 5.215 0 30 FKAC Cc1ccc(-n2cccc2)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1046701 LAJGFWVUTUYDAT-UHFFFAOYSA-N 359.351 5.449 0 30 FKAC FC(F)(F)Oc1ccc(-c2nnc(-c3ccccc3C(F)(F)F)o2)cc1 2159045 HZTSOMUHYMCHHP-UHFFFAOYSA-N 374.240 5.321 0 30 FKAC CC(C)(C)n1c(-c2ccc(Cl)cc2)csc1=NCc1ccncc1 254826306 KOWGRPCTSTUWSP-UHFFFAOYSA-N 357.910 5.121 0 30 FKAC CC(C)(C)c1ccc(Oc2ncccc2NC(=O)c2cccs2)cc1 1043457 LPUSHNYJNIYVNJ-UHFFFAOYSA-N 352.459 5.485 0 30 FKAC Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)cc32)c(Cl)c1Cl 2569974 XTAHLACQOVXINQ-UHFFFAOYSA-N 374.865 7.506 0 30 FKAC biogenic,in-vitro CC(C)(C)CC(C)(C)NC(=O)[C@H](Sc1ccccc1N)c1ccccc1 3135217 PUVQOSBIDPJDOM-LJQANCHMSA-N 370.562 5.433 0 30 FKAC Cc1nc(SCc2c(Cl)cccc2Cl)[nH]c(=O)c1CCC(C)C 5176493 XRTJQZLUBQKWTM-UHFFFAOYSA-N 371.333 5.266 0 30 FKAC CS(=O)(=O)c1cc(Cl)cc(-c2cc(Cl)ccc2Cl)c1Cl 6019563 ZRKRGLMXWPOTIM-UHFFFAOYSA-N 370.084 5.371 0 30 FKAC Cc1cccc(-c2noc(-c3c(-c4c(F)cccc4Cl)noc3C)n2)c1 1047072 VHDRENMZCHBPCH-UHFFFAOYSA-N 369.783 5.468 0 30 FKAC CCc1ccc([C@H]2CN[C@H](C(=O)[C@H]3CC[C@H](C4CCCCC4)CC3)C2)cc1 1565503770 QOZIKAVJULXDIK-BUZMGHMJSA-N 367.577 5.650 0 30 FKAC O=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccc(Cl)cc1 1041898 HUKPVNGOFGCJNL-UHFFFAOYSA-N 365.816 5.123 0 30 FKAC O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1)c1cccs1 1034000 UCYHXGMPKXJAMU-UHFFFAOYSA-N 364.348 5.207 0 30 FKAC CC(C)(C)c1ccc(Oc2ccc(NC(=O)Nc3cccs3)cn2)cc1 1034044 WHPXLXLWIAUZPI-UHFFFAOYSA-N 367.474 5.877 0 30 FKAC O=C(NCc1csc2ccccc12)Nc1ccc(Cl)c(Cl)c1 1041442 DZPLIFFMCVGPIN-UHFFFAOYSA-N 351.258 5.530 0 30 FKAC Clc1cccc2c1Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2 5843803 LNWDBNKKBLRAMH-UHFFFAOYSA-N 356.419 6.852 0 30 FKAC C[C@@H](NCCCc1ccc(C(F)(F)F)cc1)c1cccc2ccccc12 214492808 MATILKQDYNBOJK-MRXNPFEDSA-N 357.419 6.142 0 30 FKAC O=[P@](O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)c2cccnc12 4352579 YYSQHCKKOXEXLJ-UHFFFAOYSA-N 370.128 5.100 0 30 FKAC CCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(CCC)cc2)cc1 5820148 KGYHDKQBNLIFKF-UHFFFAOYSA-N 354.446 5.344 0 30 FKAC FC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2cc(C3CC3)nn12 1040278 KMITWFARKJUNCF-UHFFFAOYSA-N 353.347 5.446 0 30 FKAC Cc1ccc(-c2noc(-c3c(-c4c(F)cccc4Cl)noc3C)n2)cc1 1047045 UZLMVTWKSAMWQE-UHFFFAOYSA-N 369.783 5.468 0 30 FKAC Fc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4OC[C@H]32)cc1 4343852 CVDXAAYWVCQGOR-VGSWGCGISA-N 361.441 5.802 0 30 FKAC O=C(NCc1csc2ccccc12)Nc1cc(Cl)cc(Cl)c1 1046033 OWYUMCRPQUVPDN-UHFFFAOYSA-N 351.258 5.530 0 30 FKAC Clc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1Cl 2568316 JZFZCLFEPXCRCA-UHFFFAOYSA-N 360.882 7.274 0 30 FKAC COc1ccccc1C1CCN(Cc2ccc3c(c2)CCC(C)(C)O3)CC1 4325154 JNFNPCBQSKYGER-UHFFFAOYSA-N 365.517 5.178 0 30 FKAC O=C(c1ccc(Cl)cc1)[C@H](Sc1ccc(Cl)cc1)c1ccccc1 3128789 FNEPHQXYUONRSH-HXUWFJFHSA-N 373.304 6.710 0 30 FKAC Cc1ccc(C=Cc2ccc(=O)n(Cc3ccc(Cl)cc3Cl)n2)cc1 2265276508 PHOCIBLIEGQQMP-UHFFFAOYSA-N 371.267 5.077 0 30 FKAC CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C 1530156 DTGDZMYNKLTSKC-ZYUYTQNWSA-N 370.665 8.418 0 30 FKAC biogenic CCCC[C@@]1(CCC(=O)O)Cc2cc(OCc3ccccc3)ccc2C1=O 146170160 OPRIPDGDGGRWTA-HSZRJFAPSA-N 366.457 5.046 0 30 FKAC Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](C)C(C)(C)C 1024347 JMCIEIZHUKVMMR-SNVBAGLBSA-N 355.265 5.121 0 30 FKAC Cc1cc(C)c(Nc2nc3cc(Br)cc(C)c3s2)c(C)c1 4347918 RFMJEOZNKCDGJD-UHFFFAOYSA-N 361.308 6.036 0 30 FKAC CCCCCC[C@@H]1C=C[C@@H](CCCCCCCC(=O)O)C[C@@H]1C(=O)O 5820478 RYKIXDBAIYMFDV-QRVBRYPASA-N 352.515 5.665 0 30 FKAC Cc1ccc(-n2cccc2)c(NC(=O)Nc2ccccc2C(F)(F)F)c1 1046697 QUCQLZFTUQDNSW-UHFFFAOYSA-N 359.351 5.449 0 30 FKAC Cc1cc2c(cc1C)CSC(c1ccc(Cl)c(Cl)c1)SC2 2160815 NPNAQWLHJOFKCF-UHFFFAOYSA-N 355.355 6.789 0 30 FKAC O=C(c1ccc(Cl)cc1)[C@@H](Sc1ccc(Cl)cc1)c1ccccc1 3128788 FNEPHQXYUONRSH-FQEVSTJZSA-N 373.304 6.710 0 30 FKAC FC(F)(F)Oc1ccc(/C=C/c2nc(-c3ccc(Cl)cc3)no2)cc1 4390586 BZIKMNZDRRWOML-XCVCLJGOSA-N 366.726 5.459 0 30 FKAC O=C(Nc1ccc(N2CCCCC2)cc1)Nc1cccc(Cl)c1Cl 1034012 ANCWHFITJAJYLB-UHFFFAOYSA-N 364.276 5.628 0 30 FKAC S=c1sc(Sc2nc3ccccc3s2)nn1-c1ccccc1 38613488 GLDUYWAMKOSGDL-UHFFFAOYSA-N 359.526 5.424 0 30 FKAC CCC1CCC([C@H]2CC[C@H](C(=O)Oc3cc(F)c(F)c(F)c3)CC2)CC1 299803338 JRVLFALUMBSZRJ-QJKUTOJQSA-N 368.439 6.032 0 30 FKAC Cc1ccc(NC(=O)n2nccc2-c2ccc(-c3cccs3)s2)cc1 1039662 IMXJQOUDGITJSF-UHFFFAOYSA-N 365.483 5.729 0 30 FKAC C[C@]12CC[C@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@H]1CCC2=O 575417934 MSINETGATWEUAB-KBOSCXGNSA-N 360.497 5.691 0 30 FKAC in-vitro COc1cccc(O)c1C1=Nc2ccccc2S[C@@H](c2ccccc2)C1 1043793 OAFAQKZWYRXCCC-OAQYLSRUSA-N 361.466 5.759 0 30 FKAC Cc1ccc(-c2cc(Cc3ccc(-c4cccs4)s3)c(=O)[nH]n2)cc1 1032970 QTHSXOAKRQZUDD-UHFFFAOYSA-N 364.495 5.126 0 30 FKAC C=Cc1nc(-c2ccccc2Cl)c(-c2ccc(N(CC)CC)cc2)o1 5316453 JJQOKUCYWIGCIN-UHFFFAOYSA-N 352.865 6.151 0 30 FKAC Cc1oc(-c2cccs2)nc1CCOc1ccc(C=O)c2sccc12 1565504581 RTXRPRWYMARKBA-UHFFFAOYSA-N 369.467 5.360 0 30 FKAC S=C(NCc1csc2ccccc12)Nc1cccc(Cl)c1Cl 1041431 GTTNXRSFOJWNAJ-UHFFFAOYSA-N 367.326 5.695 0 30 FKAC O=C(N1CCC[C@H]1c1[nH]c2ccccc2c1-c1ccccc1)C(F)(F)F 22001100 WAYFMRPVNGHILW-INIZCTEOSA-N 358.363 5.061 0 30 FKAC C[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1)C(=O)O 39335998 XICAAWCCLCEXMX-SECBINFHSA-N 360.715 5.003 0 30 FKAC CC(C)=CCC[C@@H](C)CC(OCc1ccccc1)OCc1ccccc1 38647133 UFVIUXYEJWOMIA-OAQYLSRUSA-N 352.518 6.519 0 30 FKAC CCCCCC[C@@H]1C=C[C@@H](CCCCCCCC(=O)O)[C@H](C(=O)O)C1 38655535 JMUKALCRCFJQTI-GUDVDZBRSA-N 352.515 5.665 0 30 FKAC CC(C)(C)c1csc(-c2sccc2COc2ccc(Cl)cc2)n1 1039418 BTMIFESFVRJENN-UHFFFAOYSA-N 363.935 6.402 0 30 FKAC O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc2ccccc2n1 4307731 LFTMWDSKCYNKEP-UHFFFAOYSA-N 369.424 5.458 0 30 FKAC CC(C)=CCC/C(C)=C/C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 111903860 PDIXICHEAZLDNO-XDJHFCHBSA-N 368.524 7.474 0 30 FKAC O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)c(Cl)c1 1044697 VWSYXLGFLMARNJ-UHFFFAOYSA-N 367.232 5.508 0 30 FKAC CC(C)(C)c1cc2nc(C(F)(F)F)cc(Oc3ccc(Cl)cc3)n2n1 4362698 OAKAVXBUQQQWPA-UHFFFAOYSA-N 369.774 5.491 0 30 FKAC Clc1ccc(-c2nnc(Cc3csc(-c4cccs4)n3)o2)cc1 1047672 WIGCQFHAOFSDIA-UHFFFAOYSA-N 359.863 5.166 0 30 FKAC Fc1cccc(CON=Cc2ccc(Sc3ccc(Cl)cc3)nc2)c1 254851005 HZBOPJFUEWHPOW-UHFFFAOYSA-N 372.852 5.576 0 30 FKAC CCC(=C(c1ccc(O)cc1)c1ccc(C=CC(=O)O)cc1)c1ccccc1 2265360021 SCVIEONTACSLJA-UHFFFAOYSA-N 370.448 5.859 0 30 FKAC CC(C)CCC[C@@H](C)CCOC(=O)C(=O)OCC[C@H](C)CCCC(C)C 33637087 JOXPDGWFATYEII-WOJBJXKFSA-N 370.574 5.778 0 30 FKAC CCCc1ccc(C(=O)Nc2cccnc2Sc2ccc(C)cc2)cc1 1043452 VZBQWOUHOBHCFK-UHFFFAOYSA-N 362.498 5.746 0 30 FKAC Clc1cc(-c2ccc(Cl)c(Cl)c2Cl)cc(Cl)c1Cl 2568320 YTWXDQVNPCIEOX-UHFFFAOYSA-N 360.882 7.274 0 30 FKAC biogenic,in-vitro CC(C)(C)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 4390713 OWRJGBJRPWYVDK-UHFFFAOYSA-N 361.432 6.793 0 30 FKAC O=C(Oc1ccc(Cl)cc1Cl)C1=Cc2cc(Cl)ccc2OC1 1042400 GNJABUKIIPBUFU-UHFFFAOYSA-N 355.604 5.028 0 30 FKAC C[C@@H](c1ccccc1)c1cc([C@H](C)c2ccccc2)cc(C(C)(C)C)c1O 6037179 FSKWPMWCAAAHCA-MOPGFXCFSA-N 358.525 6.993 0 30 FKAC Cc1ccc(-n2cccc2)c(NC(=O)[C@@H](c2ccccc2)C2CCCC2)c1 1033081 IIOCHIFSTNKADR-QHCPKHFHSA-N 358.485 5.698 0 30 FKAC Cc1ccc2cc(NC(=O)c3sc4ccccc4c3Cl)ccc2n1 1035319 IPBPTCXEDSKMEK-UHFFFAOYSA-N 352.846 5.664 0 30 FKAC CCCC[C@H](Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)OCC 33866056 UXIMOIGIDKQGOV-FQEVSTJZSA-N 360.881 5.432 0 30 FKAC Clc1ccccc1CSc1nccn1-c1cccc(Cl)c1Cl 1041813 OFYWSYXZDUSALN-UHFFFAOYSA-N 369.704 6.125 0 30 FKAC Cc1c(-c2csc(CS(=O)(=O)C(C)(C)C)n2)sc2ccccc12 1047004 UXISMVJGQQGWCJ-UHFFFAOYSA-N 365.545 5.047 0 30 FKAC O=c1c2ccccc2c(-c2cccc(C(F)(F)F)c2)nn1-c1ccccc1 1048538 LOWBNSHXLZXXTE-UHFFFAOYSA-N 366.342 5.072 0 30 FKAC Cc1c(COC(=O)c2ccc(Cl)cc2Cl)sc2ccccc12 2151769 HYZFEOYPEVCSQS-UHFFFAOYSA-N 351.254 5.874 0 30 FKAC CCOc1ccc([C@H]2CC[C@H](C3CCC(CC)CC3)CC2)c(F)c1F 263590195 ZMZVSCAMMZODSU-VNGAXPGBSA-N 350.493 6.854 0 30 FKAC O=S(=O)(Oc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(Cl)c1 3127026 RPIJCANYHSDLML-UHFFFAOYSA-N 372.056 5.068 0 30 FKAC Cc1cc(-c2csc(=N)n2-c2cccc(C(F)(F)F)c2)ccc1Cl 4299912 DKWDZCQMNCUPRS-UHFFFAOYSA-N 368.811 5.666 0 30 FKAC COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2c2ccccc2)cc1 4301202 GVNLZOKWERIELU-DEOSSOPVSA-N 356.469 5.668 0 30 FKAC CCCC[C@]1(CCC(=O)O)Cc2cc(OCc3ccccc3)ccc2C1=O 146169973 OPRIPDGDGGRWTA-QHCPKHFHSA-N 366.457 5.046 0 30 FKAC CCN(CCO)c1ccc(/N=N/c2cc(Cl)ccc2Cl)c(C)c1 111407039 LPTYKUABXWKEEE-QZQOTICOSA-N 352.265 5.536 0 30 FKAC FC(F)(F)c1cc(Oc2ccccc2)c2cccc(Br)c2n1 1039278 LFLMPAUPANRVKH-UHFFFAOYSA-N 368.152 5.808 0 30 FKAC CC(C)(C)c1nnc(-c2ccc(Oc3cc(Cl)cc(Cl)c3)o2)o1 1047707 BUDWEKPPZKCPON-UHFFFAOYSA-N 353.205 5.726 0 30 FKAC c1ccc([C@@H]2C[C@H](c3ccccc3)[C@H]3CCc4ccccc4[C@@H]3S2)cc1 33853890 NGMRZFICYASRNN-NGSHPTGOSA-N 356.534 6.952 0 30 FKAC Clc1cccc([C@@H]2NCc3c(sc4c3CCCC4)-n3cccc32)c1 58070444 ACMUPPDDQFBFEE-IBGZPJMESA-N 354.906 5.264 0 30 FKAC ON=C(c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 254288718 NPGQDHORGPOZSS-HUUCEWRRSA-N 350.643 5.085 0 30 FKAC Cc1cc(S(=O)(=O)c2nc3ccc(Cl)cc3s2)c(C)cc1Cl 1035077 IERRZKBVMWWKME-UHFFFAOYSA-N 372.298 5.053 0 30 FKAC Cc1onc(-c2ccccc2)c1-c1nnc(-c2ccccc2C(F)(F)F)o1 1034117 DLRJPNZBZBCGAD-UHFFFAOYSA-N 371.318 5.386 0 30 FKAC Fc1cccc(F)c1-c1csc(Nc2ccc(Cl)c(Cl)c2)n1 1042770 VYUPOTJPCDFPHO-UHFFFAOYSA-N 357.212 6.139 0 30 FKAC CCCCCC[C@@H](O)CCCCCCCCCCC(=O)N1CCCC1 139396586 MNLWCEDTFXXDSG-OAQYLSRUSA-N 353.591 5.841 0 30 FKAC ON=C(Sc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl 254842592 PKVKEZUKWLGLCH-UHFFFAOYSA-N 367.179 5.335 0 30 FKAC FC(F)(F)c1cccc(C=Cc2ncc(C(F)(F)F)cc2Cl)c1 2265278944 IJIZKAJGBGFITL-UHFFFAOYSA-N 351.677 5.943 0 30 FKAC Clc1ccccc1Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 3078879 BWHLTBBHWGPTNK-UHFFFAOYSA-N 362.885 6.874 0 30 FKAC Cc1csc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1026974 CQVKTUJVAFETNK-UHFFFAOYSA-N 353.287 5.346 0 30 FKAC O=C(Nc1cccnc1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F 1029326 JUTQNERAWOYCFI-UHFFFAOYSA-N 366.726 5.266 0 30 FKAC CCOC(=O)c1c(NC(=O)Nc2ccc(C)cc2)sc2c1CC[C@@H](C)C2 1033743 VHQBOMFTTURNQM-CYBMUJFWSA-N 372.490 5.002 0 30 FKAC CC(C)(C)c1ccc(C(O)(c2ccc(C(C)(C)C)cc2)[C@@H]2CCCN2)cc1 21983405 TYWDBIAEUNKFNA-QFIPXVFZSA-N 365.561 5.270 0 30 FKAC CCOC(=O)c1sc(-c2ccccc2)nc1OCc1ccc(Cl)cc1 1047627 YFDUYQFLWYGQJX-UHFFFAOYSA-N 373.861 5.219 0 30 FKAC CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)C(C(C)=O)=CC[C@H]4[C@@H]3CC[C@H]2C1 35979717 GBSGMSKNTLPLQF-FJLDFKITSA-N 356.506 5.006 0 30 FKAC C[C@]12CC[C@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@H]1C=C[C@@H]2O 575418627 YWHIUZLVKVDQAM-QVXKZJQXSA-N 360.497 5.259 0 30 FKAC in-vitro Cc1csc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 1026975 DTCGWEDSKNWRON-UHFFFAOYSA-N 368.302 5.738 0 30 FKAC Cc1ccc(Sc2ccccc2NC(=O)c2ccccc2Cl)cc1 4377429 LCODYHOBKFJUDU-UHFFFAOYSA-N 353.874 6.052 0 30 FKAC Cc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4SC[C@H]32)cc1 4343870 KLKAXPKRJXGJAH-JPYJTQIMSA-N 373.546 6.685 0 30 FKAC C[C@H]1CN=C(N(C(=O)Nc2cccc(Cl)c2)[C@H](C)c2ccccc2)S1 1044145 BDQMMSVSXWXVTE-UONOGXRCSA-N 373.909 5.426 0 30 FKAC CC(C)CCC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 299803369 LOYUFUGUVLIJNJ-IFNNUIFPSA-N 370.665 8.562 0 30 FKAC CCCCCc1cc2c(c(O)c1C(=O)O)[C@H]1C=C(C)CC[C@H]1C(C)(C)O2 14722842 UCONUSSAWGCZMV-JKSUJKDBSA-N 358.478 5.434 0 30 FKAC biogenic,in-vitro Cc1ccccc1C(=O)Nc1ccc(Oc2ccc(C(C)(C)C)cc2)nc1 1034037 UQJOFFPTRLGHJP-UHFFFAOYSA-N 360.457 5.732 0 30 FKAC COc1ccc(NC(=O)CSCc2c(C)c(C)c(C)c(C)c2C)cc1 1045570 SNTOALUVPIUJLQ-UHFFFAOYSA-N 357.519 5.109 0 30 FKAC CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 5819639 OMPTUWYLCDEFSJ-WAUHAFJUSA-N 358.522 5.230 0 30 FKAC CSc1sc(-c2nc(C)cs2)c(C)c1-c1cc[nH]c(=S)n1 2141704 QHQLFKCLZGFDLI-UHFFFAOYSA-N 351.547 5.330 0 30 FKAC C[C@@H]1CN=C(N(C(=O)Nc2ccc(Cl)cc2)[C@H](C)c2ccccc2)S1 1044150 ANLUEOGLPRCYTA-ZIAGYGMSSA-N 373.909 5.426 0 30 FKAC O=C(Nc1ccc(F)cc1F)c1cc(Cl)c(-n2cccc2)c(Cl)c1 1037869 IVFRBCPKCBGKSU-UHFFFAOYSA-N 367.182 5.315 0 30 FKAC Clc1cc(-c2c(Cl)cccc2Cl)c(Cl)c(Cl)c1Cl 2521562 UQPQKLGBEKEZBV-UHFFFAOYSA-N 360.882 7.274 0 30 FKAC Cc1ccc(C(=O)Oc2ccc(C=Nc3ccc(F)c(Cl)c3)cc2)cc1 254493439 BDDXKGBCNRQCAG-UHFFFAOYSA-N 367.807 5.757 0 30 FKAC C[C@@H](NC(=O)CCc1ccccc1C(F)(F)F)c1cccc2ccccc12 214495422 FHSPBYOZSISQHU-OAHLLOKOSA-N 371.402 5.669 0 30 FKAC Cc1cc(Br)ccc1NC(=S)Nc1ccc2ccccc2c1 1045303 RTFJKWIAWSVMTF-UHFFFAOYSA-N 371.303 5.720 0 30 FKAC CC(C)=CC[C@@H](CC[C@@H](C)C(=O)O)c1coc(-c2cc(O)ccc2O)c1 223702193 VCDSBBIDUCDNJF-CABCVRRESA-N 358.434 5.299 0 30 FKAC C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930220 AZFLHSKQKSZOET-XBESLWPFSA-N 374.565 5.283 0 30 FKAC Clc1cc(CSc2ccccc2C2=NCCCN2)c(Cl)s1 4323439 LTWCBBRXEBVHTH-UHFFFAOYSA-N 357.331 5.087 0 30 FKAC Fc1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)cc1F 1046843 DVIQQHYNAKLJDO-UHFFFAOYSA-N 357.410 5.274 0 30 FKAC FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2cc(-c3ccco3)nn12 1040250 MJTSCLGHBGZNSV-UHFFFAOYSA-N 363.726 5.329 0 30 FKAC CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CCCC[C@]4(C)[C@@H]3CC[C@@]21C 263584116 KDLNOQQQEBKBQM-JMYRFEBBSA-N 372.549 5.476 0 30 FKAC Clc1ccccc1[C@@H]1[C@@H]2CCc3ccccc3C2=NN1c1ccccc1 4335016 XLCDVAKWKSHORV-NFBKMPQASA-N 358.872 5.868 0 30 FKAC CC(C)(C)c1ccc(Oc2ccc(NC(=O)Cc3cccs3)cn2)cc1 1046900 CHKPWEMJFAKSDO-UHFFFAOYSA-N 366.486 5.414 0 30 FKAC CC1(C)[C@]2(C)CC[C@@]1(C(=O)O[C@H]1/C=C\CCCCCCCCC1)OC2=O 100091177 LIBXEFHIEGCCRU-OHBVELSZSA-N 362.510 5.101 0 30 FKAC CCN(CC)CC(CN(CC)CC)[C@@H](c1ccccc1)C1CCCCC1 4213233 QDMORDTWFMWOFA-DEOSSOPVSA-N 358.614 5.650 0 30 FKAC in-man CCCC[C@H](CC)Cc1ccc([Sn](C)(C)C)s1 644157171 IZLFNZXYTOTLNV-HZAYLZKLSA-N 359.167 5.052 0 30 FKAC Cc1ccc(NC(=S)NC2CCCCCCCCCCC2)cc1Cl 3180467 DGPHKOUTTQXEBA-UHFFFAOYSA-N 367.002 6.608 0 30 FKAC Cc1cc(C)c(O)c(C(C[C@@H](C)CC(C)(C)C)c2cc(C)cc(C)c2O)c1 6069684 RPWDFMGIRPZGTI-QGZVFWFLSA-N 368.561 6.926 0 30 FKAC Cc1c(C)c(C)c(S(=O)(=O)Oc2ccc(Cl)c(Cl)c2)c(C)c1C 3170797 XJAIUYBLAYFOKN-UHFFFAOYSA-N 373.301 5.303 0 30 FKAC Oc1ncnc2c1oc1nc(-c3ccc(Cl)cc3)cc(-c3ccco3)c12 1035731 BWOUYPIAWNXIRP-UHFFFAOYSA-N 363.760 5.057 0 30 FKAC O=C(Nc1ccc(Cl)cc1)Oc1ccc(C2SCCS2)cc1 1047289 PMXGWFZTUKWNKA-UHFFFAOYSA-N 351.880 5.430 0 30 FKAC CCCSc1cc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2)cn1 4382957 GDTDQEOABCMLSE-UHFFFAOYSA-N 374.815 5.508 0 30 FKAC CC/C(=C(\c1ccccc1)c1ccc(OCC(=O)O)cc1)c1ccccc1 1533537 QIMQCARYIBIRDS-GYHWCHFESA-N 358.437 5.519 0 30 FKAC CCCCCc1cc2c(c(O)c1C(=O)O)[C@@H]1CC(C)=CC[C@H]1C(C)(C)O2 14722860 YKKHSYLGQXKVMO-HZPDHXFCSA-N 358.478 5.434 0 30 FKAC biogenic Cc1nc(-c2ccccc2)sc1-c1nnc(-c2cccc3ccccc23)o1 1034536 HKNKMTXJVQLNLX-UHFFFAOYSA-N 369.449 5.989 0 30 FKAC CCCC[C@@H](CC)COC(=O)CCCOc1ccc(Cl)cc1Cl 2382787 HHWWAFPHDKZSKB-CQSZACIVSA-N 361.309 5.912 0 30 FKAC Clc1ccc(/C=C2\CCC[C@@H]3C2=NN[C@@H]3c2ccc(Cl)cc2)cc1 4323583 HDSLHZWRUNNLHN-MVVBNGQASA-N 357.284 5.877 0 30 FKAC Cc1cc2nc(C=Cc3ccccc3)n(Cc3ccc(Cl)cc3)c2cc1C 2265276866 DFNPOFPUTAASIC-UHFFFAOYSA-N 372.899 6.525 0 30 FKAC Clc1ccc(C([C@@H]2C=Nc3ccccc32)[C@@H]2C=Nc3ccccc32)cc1 669367212 LMBUQSNCUQVJMW-WOJBJXKFSA-N 356.856 6.423 0 30 FKAC CC(C)(C)c1ccc(-c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cc1 4395010 CXCGHYQKLNPOPQ-UHFFFAOYSA-N 351.559 6.575 0 30 FKAC COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O[C@@H]3CCCCO3)CC[C@H]12 604970748 SJDZPRJOUBDGJM-GMKBEQEGSA-N 370.533 5.463 0 30 FKAC Cc1cccnc1-c1cc(-c2ncccc2C)cc(-c2ncccc2C)c1 38986562 UZBBKEWYPBYYLZ-UHFFFAOYSA-N 351.453 5.798 0 30 FKAC C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1cccc(Br)c1 35231294 JMKAIHHGGYELPC-LLVKDONJSA-N 358.201 5.319 0 30 FKAC Clc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C[C@@H]32)cc1 4343911 NXJOEMUMGLDHJB-PGRDOPGGSA-N 361.897 6.480 0 30 FKAC CC(C)CCCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1 5758442 PQDNDGYLGVVELW-UHFFFAOYSA-N 360.494 5.549 0 30 FKAC Oc1ccc(-c2ccccc2Cc2ccccc2)cc1Cc1ccccc1 33608841 FMUWLBYSIFCENA-UHFFFAOYSA-N 350.461 6.241 0 30 FKAC CCCCCCCCCCCCCCCCCC[C@@H](C)[C@@H](C)C(=O)OC 141692089 QNAJTCHFJVPQHR-DHIUTWEWSA-N 368.646 8.083 0 30 FKAC COc1cccc(O)c1C1=Nc2ccccc2S[C@H](c2ccccc2)C1 1043794 OAFAQKZWYRXCCC-NRFANRHFSA-N 361.466 5.759 0 30 FKAC O=Cc1ccccc1OCCCCCCCCCOc1ccccc1C=O 585138889 GPCIZQLBVYKMQY-UHFFFAOYSA-N 368.473 5.500 0 30 FKAC Cc1cccc2c1N(C(=S)Nc1cccc(C(F)(F)F)c1)CCC2 1026778 ZNUQKRWAPAINFD-UHFFFAOYSA-N 350.409 5.163 0 30 FKAC CCCc1ccc(OC(=O)[C@H]2CC[C@H](C3CCC(CCC)CC3)CC2)cc1 328995198 JHDGZPSFHYZDNF-IBGPSGSDSA-N 370.577 6.957 0 30 FKAC CCOC(=O)c1c(NC(=O)Nc2ccc(C)cc2)sc2c1CC[C@H](C)C2 1033742 VHQBOMFTTURNQM-ZDUSSCGKSA-N 372.490 5.002 0 30 FKAC Clc1ccc(-c2csc(Cc3ccc(-c4csnn4)cc3)n2)cc1 1035081 OZDGFLRSQDGUPN-UHFFFAOYSA-N 369.902 5.573 0 30 FKAC CC(C)(C)c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)cc1 4389082 OBENUIBHBAJXIT-UHFFFAOYSA-N 366.244 5.241 0 30 FKAC C[C@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2c1C=CCC2 201569011 CKVAPABQGMRCSS-INIZCTEOSA-N 359.435 5.948 0 30 FKAC OC1C(=Cc2ccccc2)CN(Cc2ccccc2)CC1=Cc1ccccc1 2265269978 KEQFHIMMIJJNJC-UHFFFAOYSA-N 367.492 5.030 0 30 FKAC COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1OC 4336653 XGBFTJIDMRDJBZ-NRFANRHFSA-N 358.441 5.060 0 30 FKAC CC(C)(C)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 1034245 MEMLDCRVACVHAY-UHFFFAOYSA-N 360.457 6.420 0 30 FKAC CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NCC(=O)N(c1ccccc1)C1CCCCC1 4321667 UESVZIGYWSMKFB-KUWBRRTOSA-N 368.565 5.157 0 30 FKAC C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCF)[C@H]3[C@@H]1CC[C@@H]2O 5764483 BMKNHWLYRPVVGC-LSFZQJMJSA-N 360.513 5.365 0 30 FKAC CCCCCCCCCCN(CCCCCCCCCC)CCC(=O)O 111896957 QDICYHRCDXDUGM-UHFFFAOYSA-N 369.634 7.045 0 30 FKAC Clc1ccc(CSc2nccn2-c2cccc(Cl)c2Cl)cc1 1041814 WDVZMRHWVCDARE-UHFFFAOYSA-N 369.704 6.125 0 30 FKAC CCCCCC[C@H](O)CCCCCCCCCCC(=O)N1CCCC1 139396466 MNLWCEDTFXXDSG-NRFANRHFSA-N 353.591 5.841 0 30 FKAC Cc1ccccc1C(=O)OCC(=O)c1sc2ccc(Cl)cc2c1C 1040528 XZUDKOLALUDWKI-UHFFFAOYSA-N 358.846 5.211 0 30 FKAC FC(F)Oc1ccc(-c2csc(COc3ccccc3Cl)n2)cc1 1047039 OJYQKBVYRAWESL-UHFFFAOYSA-N 367.804 5.644 0 30 FKAC CC(C)CCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1 5758473 RCRYBQKHEDNBDN-UHFFFAOYSA-N 362.406 6.486 0 30 FKAC CCCCCCOC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 33611503 PGUMMMGEOGCDCG-JTQLQIEISA-N 353.673 5.538 0 30 FKAC O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(C(F)(F)F)cc1 682498 QVNLVYBXENXEKI-UHFFFAOYSA-N 356.756 5.221 0 30 FKAC Cc1cc(NC(=O)C=Cc2ccc(CC(C)C)cc2)ccc1Br 2265279716 ZFBFDKYZFNGOJZ-UHFFFAOYSA-N 372.306 5.608 0 30 FKAC Clc1ccccc1[C@H]1[C@@H]2CCc3ccccc3C2=NN1c1ccccc1 4335017 XLCDVAKWKSHORV-OFNKIYASSA-N 358.872 5.868 0 30 FKAC CC(C)(C)c1ccc(Oc2ncccc2NC(=O)c2ccccc2F)cc1 1043456 TWFJHWIYLDNBMX-UHFFFAOYSA-N 364.420 5.563 0 30 FKAC CC1=C(/C=C/C(C)=C\C=C\C(C)=C/COC(=O)C(C)(C)C)C(C)(C)CCC1 2265289685 LTMXTDZZEINTQC-NZPIRBOASA-N 370.577 7.107 0 30 FKAC Cc1onc(-c2c(F)cccc2Cl)c1-c1nc(-c2ccccc2)no1 1047073 DQTWKTCBUXBVCC-UHFFFAOYSA-N 355.756 5.160 0 30 FKAC CC(C)(C)c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 4390704 HORCNLLGJXDEOJ-UHFFFAOYSA-N 362.325 7.081 0 30 FKAC CCC(C)(C)c1ccc(O)c(Sc2cc(C(C)(C)CC)ccc2O)c1 5459863 JEBLAEFSCWNZMT-UHFFFAOYSA-N 358.547 6.624 0 30 FKAC Clc1ccc(OCc2noc(CSc3ccc(Cl)cc3)n2)cc1 12369656 LXFQVYAJGFMDJK-UHFFFAOYSA-N 367.257 5.248 0 30 FKAC CC(C)(C)Oc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@H]2c1ccc(O)cc1 2265356109 ZUJUDNNWZQBYJB-UKILVPOCSA-N 372.508 6.431 0 30 FKAC CC(C)(C)c1ccc(NC(=O)/C=C/c2ccc(-c3cccs3)s2)cc1 1039584 OTQNGFWNKNFSGM-ACCUITESSA-N 367.539 6.426 0 30 FKAC O=C(Nc1ccc(C=Cc2nc3ccccc3o2)cc1)c1ccc(F)cc1 2265278963 LIPZVCMMXVVMIA-UHFFFAOYSA-N 358.372 5.390 0 30 FKAC C=C(C(=O)O)[C@H](CCCCCCCCCCCCCC[C@@H](C)O)C(=O)O 14454700 HJXLPGSJISFNMG-MJGOQNOKSA-N 370.530 5.170 0 30 FKAC biogenic CC[N+](C)(CC)[C@@H](C(=O)Nc1c(C)cc(C)cc1C)c1ccccc1Cl 223680656 WAUUJOMXWPEURW-OAQYLSRUSA-O 373.948 5.431 0 30 FKAC Clc1ccc(OCc2nc(CSc3cccs3)no2)c(Cl)c1 1047166 CIJSRCQLIAPYIV-UHFFFAOYSA-N 373.286 5.309 0 30 FKAC O=C(Nc1ccc(F)cc1)c1csc(-c2cccc(Cl)c2Cl)n1 1047498 NZIAQPQKZWVKQD-UHFFFAOYSA-N 367.232 5.508 0 30 FKAC N#COc1ccc([C@@H]2C[C@H]3[C@H]4C[C@H]([C@H](c5ccc(OC#N)cc5)C4)[C@@H]3C2)cc1 101789101 ZYDCNZOJNSJLMS-OHUINNRQSA-N 370.452 5.340 0 30 FKAC COc1ccc(Oc2cccc(COCC(C)(C)c3ccccc3)c2)cc1 33884428 YEMDMPPNPIJJOF-UHFFFAOYSA-N 362.469 5.982 0 30 FKAC Cc1cc(C)c(OC2CN(C(c3ccccc3)c3ccccc3)C2)c(C)c1 63604053 QXEZQFAQGHQEIZ-UHFFFAOYSA-N 357.497 5.464 0 30 FKAC CCCCC[C@@](C)(O)CC[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 5821059 JERCJPRNXXOPNI-WAOWUJCRSA-N 354.531 5.118 0 30 FKAC in-man Cc1cc(OCc2c(Cl)cccc2Cl)c2cc(Cl)ccc2n1 1032991 RUOFODVHEUUTNU-UHFFFAOYSA-N 352.648 6.082 0 30 FKAC Cn1nc(-c2ccccc2)cc1NC(=O)c1sc2ccccc2c1Cl 1034533 QLNFKQXSMYIHQZ-UHFFFAOYSA-N 367.861 5.208 0 30 FKAC N=c1scc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)c(Cl)c1 4306925 PZXHOHDTGJDTOQ-UHFFFAOYSA-N 355.677 5.645 0 30 FKAC C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 27716059 BIGINLZPDKMEPQ-RLEVVIJMSA-N 362.554 5.117 0 30 FKAC Clc1cc(Cl)cc(-c2nnn(Cc3c(Cl)cccc3Cl)n2)c1 1044814 BNHCJEPGPMIXBK-UHFFFAOYSA-N 374.058 5.002 0 30 FKAC CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)O 95858862 HVYJSOSGTDINLW-UHFFFAOYSA-O 356.615 6.409 0 30 FKAC CC(C)(C)c1ccc(Oc2ccc(NC(=O)Nc3ccccc3)cn2)cc1 1034043 UGGQECHJCCUBIX-UHFFFAOYSA-N 361.445 5.815 0 30 FKAC CC(C)(C)c1cc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)no1 4333494 WQRZFSVJTIMWCA-UHFFFAOYSA-N 365.433 5.195 0 30 FKAC Fc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1 1037043 CVDXAAYWVCQGOR-HTAPYJJXSA-N 361.441 5.802 0 30 FKAC Clc1cccc(Cl)c1[C@H]1CC(c2ccccc2)=NN1c1ccccc1 4336650 WTBIEVJBXAOULE-HXUWFJFHSA-N 367.279 6.349 0 30 FKAC COc1c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)csc1Cl 1037320 SWNYDLDZOJQSRB-UHFFFAOYSA-N 371.072 5.623 0 30 FKAC C[C@@H](c1ccccc1)N1CC=C(c2ccc(OCc3ccccc3)cc2)CC1 79917100 ZXINDPIOCYKBQG-NRFANRHFSA-N 369.508 6.116 0 30 FKAC COc1cc(Cl)c(NC(=O)c2cc(Cl)cc(Cl)c2)c(Cl)c1 4390202 GNZWAKKPBBEAIS-UHFFFAOYSA-N 365.043 5.561 0 30 FKAC Fc1ccc(-c2csc(C3(c4ccc(Cl)cc4Cl)CC3)n2)cc1 4390347 QGDMMAHIAIXAFU-UHFFFAOYSA-N 364.272 6.336 0 30 FKAC CC(C)CCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl 2572250 LRDPQMJVRJVAOH-UHFFFAOYSA-N 367.700 5.785 0 30 FKAC CCCOP(=O)(OCCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 2019078 HJZUCUDWNHJSKD-UHFFFAOYSA-N 374.757 5.095 0 30 FKAC Cc1cc(Cl)c(OC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1 4382096 CYTBFHNQEUASGA-UHFFFAOYSA-N 350.028 5.828 0 30 FKAC Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](C)C(C)(C)C 1024345 JMCIEIZHUKVMMR-JTQLQIEISA-N 355.265 5.121 0 30 FKAC Cc1nnc(Cl)c(-c2c(F)cccc2F)c1-c1ccc(Cl)cc1 26522305 DNDLJUVNJLTMIE-UHFFFAOYSA-N 351.183 5.704 0 30 FKAC C[C@]12CC[C@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@H]1CC[C@@H]2O 575346761 KTONJCQNAMVMHS-QVXKZJQXSA-N 362.513 5.483 0 30 FKAC Cc1ccccc1[C@H]1Sc2ccccc2N=C2c3ccccc3SC[C@H]21 4343861 HUVJQMFYZLUDNR-WZONZLPQSA-N 373.546 6.685 0 30 FKAC C[C@H](c1ccccc1)c1cc([C@H](C)c2ccccc2)c(O)c(C(C)(C)C)c1 6037180 FSKWPMWCAAAHCA-RTBURBONSA-N 358.525 6.993 0 30 FKAC CC(C)(C)/C(=C(/O)c1ccccc1)[C@@]12CC[C@@H]([C@H](C(C)(C)C)C1=O)C2(C)C 263583808 AVEAKUXEUBBFLC-FHIKGNHPSA-N 368.561 6.669 0 30 FKAC Cc1c(C)c(C)c(CSC2=NCCCN2C2CCCCC2)c(C)c1C 3138697 CIXHPUYWHKANQF-UHFFFAOYSA-N 358.595 5.856 0 30 FKAC CC(C)CCCCCOC(=O)CCCC(=O)OCCCCCC(C)C 5758426 SFNLXSGWZBPIIX-UHFFFAOYSA-N 356.547 5.676 0 30 FKAC CCCCCCOc1ccc(Nc2ccc(OCCCCCC)cc2)cc1 115298277 MKUJNGFFZMUZAD-UHFFFAOYSA-N 369.549 7.348 0 30 FKAC CCCc1cc(=O)oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc12 3138494 DTUOSFXJPKLXJX-UHFFFAOYSA-N 364.441 5.262 0 30 FKAC CC(C)Cc1ccc([C@@H](C)c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 4390572 NCJRGGANZJJXNU-CQSZACIVSA-N 374.406 6.106 0 30 FKAC O=C(NC(=O)c1ccc(-c2cccs2)s1)Nc1ccc(Cl)cc1 1039571 QMUKAKQHHWLWIF-UHFFFAOYSA-N 362.863 5.092 0 30 FKAC CCSc1nccc(C(F)(F)F)c1C(=O)Nc1c(C)cccc1C 1042996 QPQATAOSTIVYRB-UHFFFAOYSA-N 354.397 5.082 0 30 FKAC Cc1cccc([C@@H]2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)c1C 90663057 JFYKXFLSIZYLRY-FQEVSTJZSA-N 350.502 5.949 0 30 FKAC O=C(O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(F)(F)F 96341910 AFUVZRKWEHSOFO-BWZKLFRGSA-N 358.444 6.759 0 30 FKAC Cc1ccc(C(=O)Nc2cccnc2Oc2ccc(C(C)(C)C)cc2)cc1C 1043455 CVFXDSXFZXHNNA-UHFFFAOYSA-N 374.484 6.041 0 30 FKAC O[C@H](Cc1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1 6096605 MSFKWIPDXNDLPZ-HXUWFJFHSA-N 353.259 5.392 0 30 FKAC CC(C)(C)c1ccc(NC(=O)CSc2ccc(C(F)(F)F)cn2)cc1 1040934 KBDIFBNGXVWJRQ-UHFFFAOYSA-N 368.424 5.129 0 30 FKAC COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)c(OC)c1 4336660 ARGAJEQEUOAKBU-JOCHJYFZSA-N 358.441 5.060 0 30 FKAC C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(C)(C)C)cc1 4377445 RRPRJZIJDYQJCN-LBPRGKRZSA-N 366.288 5.697 0 30 FKAC Cc1ccc(CON=Cc2cccnc2Sc2ccc(Cl)cc2)cc1 254441587 JVWIMINFCHPTKK-UHFFFAOYSA-N 368.889 5.745 0 30 FKAC Fc1cccc(CON=Cc2cccnc2Sc2ccc(Cl)cc2)c1 254757205 DXYYMMKFFBNDRA-UHFFFAOYSA-N 372.852 5.576 0 30 FKAC CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C 2265352034 YWHWYTRNKBGSRE-KIAZCURUSA-N 370.665 8.418 0 30 FKAC Cc1c(CN2CCC(C(=O)c3ccc(F)cc3)CC2)sc2ccccc12 4333152 GQEPOVJLDVWXFK-UHFFFAOYSA-N 367.489 5.444 0 30 FKAC CCCCCC[C@@H]1C=C[C@H](CCCCCCCC(=O)O)C[C@@H]1C(=O)O 5820477 RYKIXDBAIYMFDV-OTWHNJEPSA-N 352.515 5.665 0 30 FKAC C=C(C(=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 111868620 KLZOQPDGMFKODC-UHFFFAOYSA-N 358.484 7.359 0 30 FKAC