smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(CSc2nc3ccccc3nc2-c2cccs2)cc1 1633408 DTCCLDXTFMAPPW-UHFFFAOYSA-N 364.495 5.659 0 1 FKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 3800742 YSACNAXEZHCMEQ-PEOLYXCJSA-N 365.646 6.127 0 1 FKAF Cn1c(-c2ccccc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1 3928058 HSVNFDUPXHVBSA-UHFFFAOYSA-N 358.272 5.259 0 1 FKAF CC(C)=CCc1cccc2c(C(C)(C)C=Cc3ccc4cc[nH]c4c3)c[nH]c12 13365956 QLEWZPONEOHLMI-UHFFFAOYSA-N 368.524 7.149 0 1 FKAF biogenic O=C(Oc1ccccc1)C1CCN(C2(c3ccccc3)CCCCC2)CC1 27553549 NGFSASRHKRBNRN-UHFFFAOYSA-N 363.501 5.164 0 1 FKAF O=C1C[C@@H](Cc2ccccc2)c2c(ccc3cc(Br)ccc23)O1 29135865 MYXOQQAXLFMDAL-OAHLLOKOSA-N 367.242 5.238 0 1 FKAF CCCC[C@]12Cc3ccccc3[C@H](O1)c1c(cc(-c3ccccc3)oc1=O)O2 36379223 JYTKYEDYGNDYLU-LADGPHEKSA-N 374.436 5.248 0 1 FKAF O=NN1[C@@H](c2ccccc2)CC(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1 72171798 FBRWNHRLJWXKFA-PUHATCMVSA-N 356.425 5.209 0 1 FKAF Fc1ccccc1/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 95577687 SWJBZHRROWLYRC-OBGWFSINSA-N 365.451 7.466 0 1 FKAF Cc1ccc2c(Oc3ccc4c(C)cc(=O)oc4c3)cc(Cl)nc2c1 98082090 TYYPTDMNSGDBNN-UHFFFAOYSA-N 351.789 5.404 0 1 FKAF COc1ccc([C@H](c2ccc(Cl)cc2)c2c(O)ccc3ccccc23)cc1 103173165 PIPNRUUUVUXONF-QHCPKHFHSA-N 374.867 6.388 0 1 FKAF C[C@H]1c2nc3ccc(O)c4c3c(c2[C@@H]1c1ccccc1)-c1ccccc1C4=O 586991582 PHFRKIDQIGPUON-YJYMSZOUSA-N 363.416 5.401 0 1 FKAF CCc1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1 586996701 SWPKJQGBWRWHGO-UHFFFAOYSA-N 359.267 5.202 0 1 FKAF COc1cccc(-c2ccc(-c3nc4cccc(OC)c4[nH]3)c(Cl)c2)c1 587052603 XVAJHYRKUFYFRJ-UHFFFAOYSA-N 364.832 5.568 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587062495 UFSYUWHYNZOPTJ-AWEZNQCLSA-N 370.758 5.645 0 1 FKAF CC1=CC[C@@H](c2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)C1(C)C 587100959 QFXHETCJGLNURL-FQEVSTJZSA-N 353.465 6.214 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587112360 GGCAQXCLNQRFIJ-MRVPVSSYSA-N 374.193 5.630 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cnc3ccccc3c2[nH]1 587113864 OFQZUALMIUMQPO-GFCCVEGCSA-N 355.363 5.476 0 1 FKAF CCc1nc2cccc3c2c(c1Cc1ccc(Br)cc1)CC3 587208345 QLXFSFMYXBAGOB-UHFFFAOYSA-N 352.275 5.249 0 1 FKAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(ccc4ncccc43)[nH]2)cc1 587247725 RKKHJQMWRODSAW-UHFFFAOYSA-N 364.408 5.030 0 1 FKAF O=C1c2ccc(O)cc2OC(C2CCC2)(C2CCC2)[C@H]1c1ccc(F)cc1 587357570 VKCZDYANEPRQMH-NRFANRHFSA-N 366.432 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc3cccnc13)CC2=O 587462441 OTNGMRBEXAECTD-LJQANCHMSA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1Nc1ccccc1)CC2=O 587468300 DZRYLDWGEKRNEY-FYYLOGMGSA-N 365.473 5.103 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(CCSc1ccc(F)cc1)CC2=O 587473261 ZCMPKLXOEQAMEA-NRFANRHFSA-N 374.477 5.390 0 1 FKAF CCc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 587531490 GQVMBJRGIRLVDQ-DEOSSOPVSA-N 360.453 5.755 0 1 FKAF O=C1C[C@]2(CCSc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587538256 OIWXKVFBFLFMEE-NRFANRHFSA-N 370.901 5.575 0 1 FKAF Fc1cc2c(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]c2cc1Cl 587628802 QFUPWXFKLGRVAC-UHFFFAOYSA-N 356.227 6.948 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C3CCOCC3)c(NC(=O)OC(C)(C)C)c2c1 587642527 MCEIRTQIVXMRBB-CQSZACIVSA-N 372.509 5.922 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1c(F)cc(F)cc1Cl 587871510 XWKGCBJJYIVWHQ-UHFFFAOYSA-N 352.743 5.009 0 1 FKAF Cc1ccccc1[C@]1(C2CC2)c2cccc(F)c2CCN1[C@H]1CCSC1 962696980 AQLWMKKIWKOQQK-FDDCHVKYSA-N 367.533 5.151 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCc3c2ccc(Cl)c3Cl)N1 962959859 QYVBZEYEUYNLGZ-QKVFXAPYSA-N 371.311 5.589 0 1 FKAF CC(C)=CCOc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1 1772604365 UXIAHRDFLDGJHS-UHFFFAOYSA-N 364.367 5.694 0 1 FKAF Clc1ccc(CCCCN2CCn3c(nc4ccccc43)C2)c(Cl)c1 2382216107 CUTBYGXWWUKIFB-UHFFFAOYSA-N 374.315 5.182 0 1 FKAF CCCCNC(=O)[C@@]1(C)CCCCN1Cc1ccc(-c2ccccc2)cc1 61905732 UVOKMEOAGNWACZ-XMMPIXPASA-N 364.533 5.015 0 3 FKAF CCCCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C 1532992 BBRYCNFEODUCHO-UHFFFAOYSA-N 362.473 6.058 0 1 FKAF Fc1cccc(F)c1[C@@H]1SCc2nc3cc(C(F)(F)F)ccc3n21 5932897 FEWMJLHUMQWSNW-HNNXBMFYSA-N 356.319 5.127 0 1 FKAF O=C(O)c1cccc(-c2ccc(NCc3c[nH]cn3)cc2-c2ccccc2)c1 13471839 ZUQWNRDEMRFTQP-UHFFFAOYSA-N 369.424 5.054 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)OCCF 13797943 DXPTYLHBGODTLP-DOFZRALJSA-N 365.533 6.438 0 1 FKAF O[C@H]1CCCc2nc3ccccc3c(NCc3ccc(C(F)(F)F)cc3)c21 14946516 OWMWWMZMOLIDRD-SFHVURJKSA-N 372.390 5.235 0 1 FKAF COC(=O)c1cccc2oc(-c3cccc4oc(-c5ccccc5)nc34)nc12 26968570 FROOINYHUVLXOX-UHFFFAOYSA-N 370.364 5.090 0 1 FKAF COc1cccc(-c2cnc(Nc3c(C)cccc3Cl)c3cncn23)c1 28642289 AEDNJNZFBWLDFK-UHFFFAOYSA-N 364.836 5.110 0 1 FKAF CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(C(=O)OC)c1 28822151 ATQBEVHJBCBHCT-UHFFFAOYSA-N 366.545 7.005 0 1 FKAF CCC(CC)Nc1nc(OC)c(-c2ccc(Cl)cc2Cl)nc1C 34043778 JMUFNQGYSHHZBY-UHFFFAOYSA-N 354.281 5.368 0 1 FKAF CC(=O)OCC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CC[C@H](C)CC(=O)O 43510283 QSEIUMVWJJWZJP-CXKJFKPESA-N 364.526 5.219 0 1 FKAF CN1CCC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 45320408 PMHZPCFHCUJHCB-ZCCOPBOASA-N 374.572 5.277 0 1 FKAF CC[P@](=O)(OC)c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 59096833 NPHATSYXRPRCGF-QHCPKHFHSA-N 370.172 5.371 0 1 FKAF COc1ccc(C(=O)c2c(-c3ccc(OC)cc3)oc3ccc(C)cc23)cc1 72178174 QLQVZAJEEHVXJI-UHFFFAOYSA-N 372.420 5.656 0 1 FKAF O[C@H](c1ccc(Cl)c(F)c1)c1nc(-c2ccc3ccccc3c2)c[nH]1 74385529 ZMZGCFMTRFBPKS-LJQANCHMSA-N 352.796 5.104 0 1 FKAF Cn1cc([C@H](Nc2nc3ccccc3s2)c2ccccn2)c2ccccc21 95560522 QMZCDCCHKHSIPH-NRFANRHFSA-N 370.481 5.385 0 1 FKAF CCn1c(C(=O)OC)c(Sc2ccc(Cl)cc2)c2cc(C)ccc21 95582948 UEPUFTDWHWJQIM-UHFFFAOYSA-N 359.878 5.561 0 1 FKAF Cc1ccc(Cc2ccc(-c3cccc(C(F)(F)F)c3)nc2)c(C(=O)O)c1 96173332 YOLHVWZPAJBANK-UHFFFAOYSA-N 371.358 5.365 0 1 FKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc(C)cc2c1-c1ccc(C)cc1 113125522 OUJQSMWEYAGFDN-MRXNPFEDSA-N 353.487 5.857 0 1 FKAF C[C@@]12C=C(/C=C/c3ccc(F)cc3)[C@](C)(C1)[C@@H](c1ccc(F)cc1)CC2=O 169364900 MLERNJKRLAOFMP-LTHSFUOSSA-N 364.435 6.077 0 1 FKAF 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@@]12C 299805747 AZFLHSKQKSZOET-CANFUCHISA-N 374.565 5.283 0 1 FKAF CCOC(=O)c1c(N)cc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1 473243763 ADYVBFSHGQQQEQ-UHFFFAOYSA-N 353.368 5.058 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 586898761 NOGYQAVJIQPEOX-UHFFFAOYSA-N 370.330 5.501 0 1 FKAF CCc1oc2ccccc2c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586902618 DIFIORPIAPCBGR-UHFFFAOYSA-N 366.420 5.770 0 1 FKAF Cc1ccc(SCc2nc3cc(C)c(Br)cc3[nH]2)c(C)c1 586964175 XKGQIFMGWGIWDS-UHFFFAOYSA-N 361.308 5.543 0 1 FKAF Cc1ccc2c(c1C)-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O 586989754 DTHNRDXWOJPQLW-UHFFFAOYSA-N 363.416 5.340 0 1 FKAF Cc1ccc2c3c(cc(CCc4ccccc4F)nc13)-c1ccccc1C2=O 586994668 BGYBZWDWMHWAND-UHFFFAOYSA-N 367.423 5.679 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4cc(-c5ccc(N)c(N)c5)ccc4[nH]3)cc2C1 587032779 ALBNFYUDJNGNOB-GFCCVEGCSA-N 374.513 5.248 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C)cc(C)c2[nH]1 587044392 AJHVJKPIOMRQAA-UHFFFAOYSA-N 351.233 5.171 0 1 FKAF Clc1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)nc1Cl 587083920 CMHGPBQFNJSICB-UHFFFAOYSA-N 356.212 5.724 0 1 FKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cccc(C)c2[nH]1 587121769 KSCBDYFAKMIJAK-UHFFFAOYSA-N 357.335 5.294 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(SC)cc4[nH]3)c2)c1 587160019 CBJSORLJRIKFSM-UHFFFAOYSA-N 364.445 5.767 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(C1CCCC1)CC2=O 587488623 JIGIYXDOVWQKAS-DEOSSOPVSA-N 364.485 5.704 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC1(CCCC1)CC2 587603384 NEJJLVVFQUEUAZ-LJQANCHMSA-N 364.441 5.227 0 1 FKAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 587616683 LYNWKQYCTAIUAA-WMZHIEFXSA-N 372.376 5.150 0 1 FKAF Cc1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2c(C)cc(Cl)cc12 587627503 ZHXBAHUCTXMUNN-UHFFFAOYSA-N 362.901 5.553 0 1 FKAF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c2ccccc12 587801285 FOIHZLOEEDJOAE-GIGQVBGESA-N 373.269 5.002 0 1 FKAF CC[C@@H]1CCC[C@H]([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 587823747 RGPGLNKOPQPNPW-WKZPIUISSA-N 354.307 5.380 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=CC[C@H]3C[C@@H]2C3(C)C)N1 587824148 UUNHCFBJULFAHY-UGQMMMICSA-N 364.302 5.156 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2c2ccccc2)N1 587824852 ZFWQBCIWADHDQW-PSGMQZRDSA-N 374.297 5.285 0 1 FKAF Fc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c(F)c1F 587956467 RMMROOPQUQSNNK-HNNXBMFYSA-N 352.359 5.355 0 1 FKAF Fc1c(Cl)cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1F 587958890 LKZQODOOISWLPJ-UHFFFAOYSA-N 354.787 5.752 0 1 FKAF CC[C@@]1(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)CC(=O)c2ccccc2C1 587960831 NTSIGGFKFDMTGU-DEOSSOPVSA-N 360.501 5.628 0 1 FKAF Fc1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1Br 587970190 ZRVZBBBHPLECDI-DHZHZOJOSA-N 367.221 5.788 0 1 FKAF Cc1ccccc1[C@]1(c2cccs2)c2c(F)cccc2C[C@H]2CCCN21 963097790 HKZVVRJMERMUDY-JPYJTQIMSA-N 363.501 5.508 0 1 FKAF COc1ccc(Nc2cc3oc(-c4ccco4)nc3c3ccccc23)cc1 1857635061 QWDLQWUBYYIVIB-UHFFFAOYSA-N 356.381 5.993 0 1 FKAF C[C@@H]1C[C@@H](C(=O)Nc2nc3c(F)c(F)c(F)cc3s2)CC(C)(C)C1 1857764902 JAEMOXLUSZYPQQ-RKDXNWHRSA-N 356.413 5.115 0 1 FKAF C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)c3nc4ccccc4cc3C[C@@H]12 2356548770 FBJRIAWDMVBAAE-SPAKIZDMSA-N 373.540 5.572 0 1 FKAF C=CC(C)=CC[C@@H]1[C@](C)(O)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2C(C)(C)CCC[C@@]12C 2356684541 UKAWDTYXZVAWRD-FPZPBXSISA-N 362.554 5.242 0 1 FKAF CO[C@@](C)(CCC=C(C)Cc1cc(C)co1)[C@H]1Cc2cc(O)c(C)cc2O1 2356730100 GSAYAGNITKAJHN-PKTZIBPZSA-N 370.489 5.280 0 1 FKAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356876419 ZKGCEXPUCJDWMB-AATAYMRASA-N 374.565 5.715 0 1 FKAF c1ccc(Cc2ccc(OCc3ccc(CN4CCCCC4)cc3)cc2)cc1 13517693 LNVAZBOAILEUGV-UHFFFAOYSA-N 371.524 5.842 0 1 FKAF FC(F)(F)c1ccc(-c2cc(Oc3ccc4cnccc4c3)ncn2)cc1 14974065 ITOOUJYTHCCASB-UHFFFAOYSA-N 367.330 5.503 0 1 FKAF COc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O 29329551 WOZAOKREURVLAY-UHFFFAOYSA-N 373.383 5.415 0 1 FKAF COc1ccccc1-c1cnc(C(=O)CCCCCCc2ccccc2)o1 35259946 OJSBYACDUHKDQN-UHFFFAOYSA-N 363.457 5.726 0 1 FKAF Cc1ccc(Cn2cncc2CNc2cccc(-c3ccccc3)c2)cc1 40425266 FEPOHPMQAOEQFU-UHFFFAOYSA-N 353.469 5.519 0 1 FKAF N=C(N)c1cc2cc(-c3ccc(OCc4ccccc4)cc3)ccc2s1 45355933 VZVHZNRYOZAOJD-UHFFFAOYSA-N 358.466 5.431 0 1 FKAF in-vivo CCO[P@@]1(=O)OC(c2ccccc2)=C(Cl)c2ccc(Cl)cc21 49048354 LXNFPFHYSBAELU-JOCHJYFZSA-N 355.157 5.290 0 1 FKAF c1ccc(-c2nc(N3CCC(c4ccccc4)CC3)c3ccccc3n2)cc1 64437032 FRZDCAFTZHFWKR-UHFFFAOYSA-N 365.480 5.681 0 1 FKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OC3CCCC3)cc2)n1 72180633 IEWZOLVORYBDEP-KRWDZBQOSA-N 356.510 5.721 0 1 FKAF O=c1cc(-c2ccccc2Cl)oc2c(Cn3ccnc3)cc(Cl)cc12 103206220 YRDNXOPUPRDHGB-UHFFFAOYSA-N 371.223 5.012 0 1 FKAF FCCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 103208713 URFXIDMSSXKUNY-UHFFFAOYSA-N 370.642 5.542 0 1 FKAF CCn1c2ccccc2c2cc(C3=NCCc4c3[nH]c3ccccc43)ccc21 136350606 JYTKRQCCYOUXDY-UHFFFAOYSA-N 363.464 5.689 0 1 FKAF Cc1cccc(/C=C/c2cc(Br)c(O)c(Br)c2)c1 139383835 BRZGKDSWDBKPJC-AATRIKPKSA-N 368.068 5.396 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@](C)(O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141904236 NUQFLUNVPLSEAB-ZEJZDXSBSA-N 363.545 5.789 0 1 FKAF Clc1cccc([C@@H](C[C@@H]2CCCN3CCCC[C@H]23)c2ccccc2)c1 299832565 JUXAFFHGRHKEON-ACIOBRDBSA-N 353.937 6.127 0 1 FKAF Cc1nccc2[nH]c([C@@H](Cc3cccc(Br)c3)CC(C)C)nc12 586982246 IYVOECGYPNVSJW-OAHLLOKOSA-N 372.310 5.401 0 1 FKAF Cc1c([C@@H]2CCOC(C)(C)C2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990430 FGOIJIUKXKKLAQ-CQSZACIVSA-N 373.452 5.133 0 1 FKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4ncc(Cl)cc4[nH]3)o2)c1 587049732 FEWSXOFTWQHTEQ-UHFFFAOYSA-N 364.619 5.845 0 1 FKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2cc3ccccc3cc2[nH]1 587051885 UYMJAZBOKVQLIL-UONOGXRCSA-N 353.252 6.294 0 1 FKAF Cc1ccc2c3c(cc(-c4c[nH]c5nccc-5c4)nc13)-c1ccccc1C2=O 587096401 JMDNHVRDMKIJGE-UHFFFAOYSA-N 361.404 5.250 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587161138 KMXOPVVBKPKYOQ-GHMZBOCLSA-N 370.733 5.525 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC(C)C)cc1)CC2=O 587488080 YAIIPSJQBPUCPJ-QFIPXVFZSA-N 354.446 5.013 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@@H](C)c2ccccc2)N1 587817657 DHYIFFFDVXAZTO-XNJGSVPQSA-N 362.286 5.357 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2)cc1 587936698 YMZWOAKJJYVDJO-UHFFFAOYSA-N 369.346 5.319 0 1 FKAF CC(C)c1ccc(NC(=O)Nc2nc([C@@H](N)C3CCCCC3)cs2)cc1 61903176 AQSLRJWHQXZJDW-SFHVURJKSA-N 372.538 5.491 0 3 FKAF CCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(CC)cc3)cc2)nc1 2030536 NVCBKEIIHZFZNH-UHFFFAOYSA-N 373.496 6.263 0 1 FKAF CCCC[C@@]1(CC)Cc2ccccc2-c2[nH]c(-c3ccccc3)nc(=S)c21 5869835 WLVDHPFCUYFJEI-DEOSSOPVSA-N 374.553 6.867 0 1 FKAF O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2ccccn2)o1 14979949 SEFMBCXQEYFZNK-UHFFFAOYSA-N 354.409 5.219 0 1 FKAF CCCCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27556256 OBCLUYQALDBUAD-USXIJHARSA-N 360.519 5.228 0 1 FKAF Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2cccnc2)cc1 28890274 KZBGATAGQGUHKE-UHFFFAOYSA-N 372.447 5.557 0 1 FKAF C[C@@H](NC1=NCCCCC1)c1ccc(OCCCc2ccccc2)cc1 39369514 VYGUDLUQVGFUDT-LJQANCHMSA-N 350.506 5.321 0 1 FKAF CCO[P@]1(=O)OC(c2ccccc2)=C(Cl)c2ccc(Cl)cc21 49048350 LXNFPFHYSBAELU-QFIPXVFZSA-N 355.157 5.290 0 1 FKAF CCCN(C/C=C/C(C)=C/C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C 53268030 MLKUZGWWFQVOBN-IFNZLIBBSA-N 369.549 5.839 0 1 FKAF Cc1c2c(cc3c1CC[C@@]1(C)[C@H]3CC[C@@H]1[C@H](C)CCCC(C)C)C=CCC2 59930650 RDBOKLTXJDYSFQ-ABMOCFRJSA-N 364.617 7.863 0 1 FKAF CCOc1ccc(-c2nc(CC)c(NC(CC)CC)nc2CC)c(OC)c1 72177285 FNDIJLAXENFKMP-UHFFFAOYSA-N 371.525 5.276 0 1 FKAF O=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4F)cc3)nc12 113983531 NILVMWOSEVRMAT-UHFFFAOYSA-N 366.779 5.388 0 1 FKAF O=C(NCCCCCCOc1ccc(Cl)cc1)N1Cc2ccccc2C1 166145244 YMSQYROXSHTVBO-UHFFFAOYSA-N 372.896 5.005 0 1 FKAF CCCCC[C@@H]1Cc2c(cc(O)c3c2OC(C)(C)C2=C3C[C@@H](C)CC2)[C@@H]1C 169344332 JYBKWVOBWXXRBB-GVDBMIGSSA-N 368.561 6.993 0 1 FKAF CC[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 238762003 ATKIEOWZLVCTKM-WMHQNPPQSA-N 370.621 6.775 0 1 FKAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12 299825838 KNXBMSRJWVAWLQ-OPNQQPSUSA-N 361.485 5.345 0 1 FKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4nccc(Cl)c4[nH]3)o2)c1 587051657 REKMZFSYLNWHHA-UHFFFAOYSA-N 364.619 5.845 0 1 FKAF COc1cccc(-c2ccc(-c3nc4c(Cl)ncnc4[nH]3)c(Cl)c2)c1 587052003 IZQDKCNSBZBOMJ-UHFFFAOYSA-N 371.227 5.002 0 1 FKAF COc1cccc(-c2ccc(-c3nc4ccc(OC)cc4[nH]3)c(Cl)c2)c1 587052557 VCYGEXVMUIGQOI-UHFFFAOYSA-N 364.832 5.568 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cccc(Br)c2[nH]1 587062215 OAWPPQMIPRSZBN-CYBMUJFWSA-N 365.658 5.509 0 1 FKAF Cc1ccc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1C(F)(F)F 587095189 RKMHYHZGCYBJNL-UHFFFAOYSA-N 359.178 5.788 0 1 FKAF Cc1c(F)ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587125439 QJXNSXCZCGXCBL-RUDMXATFSA-N 352.356 5.793 0 1 FKAF C[C@H]1[C@H](C)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355001 PDLNMWXEDFICDF-NEXUFGMNSA-N 354.421 5.085 0 1 FKAF CCc1cccc(CC)c1-n1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587392291 YLOZJFVSKUUNEL-QFIPXVFZSA-N 374.484 5.199 0 1 FKAF CCCCCc1ccc([C@]2(CC)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404745 ZCQPEXGBMVWFKL-QHCPKHFHSA-N 351.490 5.581 0 1 FKAF O=C1C[C@H](C2CCC(C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 587502392 DVPDTGVNXDLYDQ-WTNGLUPJSA-N 352.396 5.268 0 1 FKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1C(F)(F)F 587508224 OEQRSIKRTLTXKV-IBGZPJMESA-N 360.375 5.599 0 1 FKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccnc1 587512893 PLTUVGDYMDETKX-QHCPKHFHSA-N 372.468 5.074 0 1 FKAF CC[C@H](C)[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603887 PZUCOEWLDBGORL-XMGBXEQJSA-N 366.457 5.329 0 1 FKAF CC[C@H](C)c1ccc(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)cc1 587630733 BVGQNDOGZNXRIP-NSHDSACASA-N 358.844 6.035 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2cccc(Cl)c2)N1 587704072 RUNBOMPNMVQCGS-BMIGLBTASA-N 368.677 5.060 0 1 FKAF Cc1csc(Nc2ccc(-c3nc(-c4ccc(F)cc4)cs3)cc2)n1 587923178 SRXOLARFWFQVIJ-UHFFFAOYSA-N 367.474 6.125 0 1 FKAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(C(F)(F)F)cc2[nH]1 587935134 PWLMCSCXBFFBAB-UHFFFAOYSA-N 358.363 5.163 0 1 FKAF CCC[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(C)C 587955272 MHWWPIXOWDSSBO-SNVBAGLBSA-N 363.221 5.884 0 1 FKAF CCCOc1cc2nc(CC3CCCCCC3)[nH]c2cc1Br 587959888 BNSMYEZOJRAYSK-UHFFFAOYSA-N 365.315 5.627 0 1 FKAF CC[C@@]1(Cc2nc3cccc(C(C)(C)C)c3[nH]2)CC(=O)c2ccccc2C1 587960280 KMCMMYPRJOYAAW-DEOSSOPVSA-N 360.501 5.628 0 1 FKAF CC(=O)C[C@]1(c2cccc(Cl)c2)NCCc2c(Cl)cc(Cl)cc21 963120556 KCWJPRPPOOQWRK-GOSISDBHSA-N 368.691 5.015 0 1 FKAF COc1ccc(-c2ccc(C(=O)NCc3ccccc3)c3occc23)c(C)c1 61898166 RNOSYQNFQIKJLP-UHFFFAOYSA-N 371.436 5.347 0 3 FKAF CC(=O)Oc1c(O)ccc(O)c1C[C@]1(C)[C@@H](C)CC[C@]2(C)C(C)=CCC[C@H]21 6495104 QALBXSHCQOFDPS-APQCTARYSA-N 372.505 5.364 0 1 FKAF COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccccc2)cc1 13604444 UHQBKWVLLOZQRQ-DNQXCXABSA-N 371.480 5.422 0 1 FKAF c1ccc(CNc2nc3ccccc3c3nn(-c4ccccc4)cc23)cc1 13648699 OWFJXVRKRPLGNW-UHFFFAOYSA-N 350.425 5.186 0 1 FKAF Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3c(O)cccc32)cc1 27549870 OOGFAESEDQRTJM-UHFFFAOYSA-N 366.416 5.167 0 1 FKAF COc1ccc(C[C@@H](C)NC[C@@H](c2ccccc2)C2CCCCC2)cc1 27767519 FUMNVHCGJLULAQ-DVECYGJZSA-N 351.534 5.580 0 1 FKAF CCCCCc1cc(O)cc(OCCCCCCCC(=O)NC2CC2)c1 28649174 JWOAXJJQZFGGQH-UHFFFAOYSA-N 361.526 5.123 0 1 FKAF Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4F)cc3F)[nH]c2c1 68247342 QPOQVFPGBDUJMU-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF CCCCc1ccc(-c2nc(CN[C@H]3C[C@@H](C)CC(C)(C)C3)co2)cc1 72184356 VZFUQCHYHZGDMD-XLIONFOSSA-N 354.538 5.989 0 1 FKAF CC[C@@H](C)Cn1c(-c2ccccc2)nc2c(NCc3ccccc3)ncnc21 82178219 CJJBRAUWAGGYSX-QGZVFWFLSA-N 371.488 5.152 0 1 FKAF CCCCCn1c(C(C)C)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188701 QMDBWAREJHGSNF-KRWDZBQOSA-N 365.525 5.356 0 1 FKAF Cc1c2c(cc3c1CC[C@]1(C)[C@@H]3CC[C@@H]1[C@@H](C)CCCC(C)C)C=CCC2 85553689 RDBOKLTXJDYSFQ-QFVISEIPSA-N 364.617 7.863 0 1 FKAF biogenic CCCCSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(C)cc1 100703979 HJVVHKYGMRSTDC-UHFFFAOYSA-N 363.486 5.432 0 1 FKAF CCC[C@@H](Nc1cncc(-c2ccc(CN(C)C)cc2)n1)c1ccccc1 137270642 DJUACURCMSSRHL-OAQYLSRUSA-N 360.505 5.159 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)S1 169332970 HDPKJWICBWVRGV-ARFHVFGLSA-N 374.590 7.120 0 1 FKAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C 255271887 UPLFAPLODUYLJO-ZOIFDFPKSA-N 358.610 6.464 0 1 FKAF CCCCC1CCC(c2nc3cc(Br)c(C)nc3[nH]2)CC1 404507103 BQYQNXXOOYEULO-UHFFFAOYSA-N 350.304 5.493 0 1 FKAF COc1cc(/C=C\c2nc3cc(C)cnc3[nH]2)cc(Cl)c1OCC(C)C 587046035 COVIOUTXXLIIHX-WAYWQWQTSA-N 371.868 5.134 0 1 FKAF COc1cccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587050396 JRMJGLQTWIYKPT-UHFFFAOYSA-N 359.212 5.805 0 1 FKAF Clc1ccc(CC2(c3nc4c(Cl)c(Cl)cnc4[nH]3)CC2)cc1 587074240 VAUSWFFZGPSSSS-UHFFFAOYSA-N 352.652 5.192 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 587163493 KATQLGFYNXUFTI-UHFFFAOYSA-N 362.351 6.116 0 1 FKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587195477 KOSPJNKSAMGLIM-INIZCTEOSA-N 369.468 5.012 0 1 FKAF COc1cccc(-c2cc([C@@H]3CCCCN3)nc3c2oc2ccccc23)c1 587364074 WVKUXYUYNLEVHY-IBGZPJMESA-N 358.441 5.471 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C)C[C@H](C)C3)c1 587367827 XLEFYQXAJRAGMS-GJZGRUSLSA-N 357.453 6.342 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(Cl)c(Cl)c1)[C@@H](C2)C3=O 587424319 YWEJNDHOLWEZPH-BTDLBPIBSA-N 369.631 5.144 0 1 FKAF CCCCc1ccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587491253 VEPOKGNWBAEIEC-QHCPKHFHSA-N 352.474 5.568 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3)s1)CC2=O 587494936 OBQAHBWURFRIKI-LJQANCHMSA-N 364.466 5.780 0 1 FKAF O=C1C[C@]2(CCCCc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587505131 YDPADDMVVASBJY-QHCPKHFHSA-N 366.888 5.806 0 1 FKAF CC(C)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602759 YPIDERQBNVKAPL-QPPBQGQZSA-N 374.436 5.295 0 1 FKAF CCCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587613846 QTVNAXNDUAKBTM-GHTZIAJQSA-N 366.438 5.109 0 1 FKAF CCCCCC[C@H](C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587818483 HWNSKFNFCNMVHJ-LXIYXOSZSA-N 356.323 5.770 0 1 FKAF CC(C)C1CCC([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587822258 JOGCTHYJTRAVPO-OILHFSCHSA-N 368.334 5.626 0 1 FKAF FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C/c3cccc4ccccc34)nc1-2 587967699 ISYJWERPJPTWHS-CMDGGOBGSA-N 374.753 5.300 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3c2Cc2ccccc2-3)cc1 653738885 HSTZPNILEIPLDH-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 2356675271 OBWGUKUMNJWSCT-NGPWQFFGSA-N 366.589 7.103 0 1 FKAF CCC[C@@H]1C=C[C@@H]2CC(C)=CC[C@H]2[C@@]1(C)C=C(C)C=CC=CC=CC(=O)O 2356718966 LRLMBKDNFKCUAP-WBJOIXBTSA-N 366.545 6.651 0 1 FKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1cc2scnc2cc1O 2356799251 UFIAWNHKMLLRGF-RGXPITOMSA-N 355.547 6.343 0 1 FKAF CN(C)Cc1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1 4266440 PORCRMWQBZZQIH-UHFFFAOYSA-N 374.513 5.032 0 1 FKAF CC(C)=CCc1cccc2c([C@H](C=C(C)C)c3cccc4cc[nH]c34)c[nH]c12 13365936 SAPBCEOFOQKBCC-HSZRJFAPSA-N 368.524 7.256 0 1 FKAF biogenic CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNCCC[C@H](C)N 26175105 ZBINKVYSDZCYDZ-YUSVDLJSSA-N 370.625 5.537 0 1 FKAF COc1ccc(-c2cc(-c3ccccc3)nnc2-c2ccc(OC)cc2)cc1 26474559 URSPPSXZEODJCV-UHFFFAOYSA-N 368.436 5.495 0 1 FKAF Clc1ccc([C@@H]2SC3(CCNCC3)c3ccccc32)cc1Cl 27864894 QVVIRWZJPSLRTI-KRWDZBQOSA-N 350.314 5.408 0 1 FKAF CC1(C)CCc2c(c3ccccc3c3nc(-c4c[nH]c5ccccc45)[nH]c23)O1 34136848 QLADCCGURIKZSH-UHFFFAOYSA-N 367.452 5.968 0 1 FKAF C(=C/c1n[nH]c2cc(N3CCCC3)c(-c3ccncc3)cc12)\c1ccccc1 49071678 FHSKCOBLBQSSQE-CMDGGOBGSA-N 366.468 5.396 0 1 FKAF Clc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)c(Cl)c1 66112003 RZQLETLOSJMVRS-UHFFFAOYSA-N 357.284 5.156 0 1 FKAF c1ccc(C(c2ccccc2)(c2ccc3ccccc3c2)N2CCCC2)cc1 84740316 JWZHNZCNCMCPKU-UHFFFAOYSA-N 363.504 6.228 0 1 FKAF O=C(CCc1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccccc1 87722437 GIRXLRQKVHMEGH-UHFFFAOYSA-N 366.464 5.419 0 1 FKAF FC(F)(F)c1ccc([C@H](Nc2ccccn2)c2c[nH]c3ccccc23)cc1 95559877 RYQQXLTVWDTZSZ-FQEVSTJZSA-N 367.374 5.783 0 1 FKAF Cc1nc(NC[C@H](C)c2ccccc2)cc(-c2ccc3ncsc3c2)n1 205833067 FNBRRMWFNRPWBY-AWEZNQCLSA-N 360.486 5.277 0 1 FKAF CC(=O)c1c(O)cc(O)c(CC=C(C)C)c1OC/C=C(\C)CCC=C(C)C 238744173 DNGVXKIUIXFMKL-SFQUDFHCSA-N 372.505 5.881 0 1 FKAF CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1(C)C 253647152 PUQPKVFFZKBJLD-FPOVZHCZSA-N 372.915 5.082 0 1 FKAF N#CN1[C@H](c2ccccc2)CC(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1 253723793 VYOXUVLGIYXMKA-OEMFJLHTSA-N 352.437 5.009 0 1 FKAF 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@]12C 255208983 FEGCPHIPSRBREU-KSXNDNNQSA-N 374.565 5.283 0 1 FKAF CCSC[C@@H]([C@H](OC)c1ccc(Cl)cc1)n1cnc2ccccc21 473108710 OGTKPBIJDMDGTA-RBUKOAKNSA-N 360.910 5.372 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1 586882092 SXVVVOOSLLOWNE-UHFFFAOYSA-N 366.814 6.590 0 1 FKAF Cc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cc1Cl 586900388 INKUSCQCROHJPH-UHFFFAOYSA-N 366.804 5.176 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccc(Cl)c1C3 586985501 IUNZDDDQKLOUPJ-UHFFFAOYSA-N 369.807 5.376 0 1 FKAF Cc1cc(F)c2[nH]c(-c3ccc(Br)c4cc(C)oc34)nc2c1 587004062 PFHHSEROEWKLPL-UHFFFAOYSA-N 359.198 5.495 0 1 FKAF Clc1[nH]c2ccccc2c1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587088014 RQYKAVNZDOVIRG-UHFFFAOYSA-N 373.843 5.944 0 1 FKAF Fc1cnc(Cl)c2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc12 587125861 UQOLQZDUBAOQQY-UTCJRWHESA-N 373.762 5.533 0 1 FKAF CCC[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357555 VETJQXJHNCCIOE-SIKLNZKXSA-N 356.437 5.475 0 1 FKAF COc1cccc(-c2cc([C@@H](C)CC(=O)O)nc3c2oc2ccccc23)c1 587365754 IWQFATXRKAFDJP-ZDUSSCGKSA-N 361.397 5.235 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c(F)cccc13)CC2=O 587470742 HUITTXRGVZLMSH-NRFANRHFSA-N 350.389 5.344 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccccc2)C1(C)C 587486980 YDLUECDSVVQYKG-FDDCHVKYSA-N 350.458 5.262 0 1 FKAF C[C@]1(c2c[nH]c3ccc(Cl)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 587496252 AMBZGWZASIONDE-JOCHJYFZSA-N 365.860 5.581 0 1 FKAF C[C@H](C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)CC(C)(C)C 587601429 FXZMQWXCNALABS-ZMYBRWDISA-N 354.446 5.185 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2cccc(Cl)c2)N1 587705230 XVXFKHYKQYQEOB-BTDLBPIBSA-N 368.677 5.060 0 1 FKAF C(=C\c1nc2cc3cn[nH]c3cc2[nH]1)\c1ccc(OCc2ccccc2)cc1 587784641 SYVJKXLNUFQCLK-FLIBITNWSA-N 366.424 5.189 0 1 FKAF Cc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587820787 RBJYCDRHUBLLEF-ORAYPTAESA-N 362.286 5.137 0 1 FKAF COc1ccc(-c2ccc(-c3nc4c(C)c(C)ccc4[nH]3)cc2)cc1OC 587928270 AHITXEYPXOFYAW-UHFFFAOYSA-N 358.441 5.531 0 1 FKAF COc1ccc(-c2cc3c(Nc4ccc(N(C)C)cc4)nccc3[nH]2)cc1 618010102 PRKSDGPKBSCCPA-UHFFFAOYSA-N 358.445 5.048 0 1 FKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1cc2ccccc2s1 1772582652 FLGDVZZJTIAGHN-SNAWJCMRSA-N 361.432 6.065 0 1 FKAF CC1=C(O)[C@@](C)(CCCCC[C@H](C)CCCCc2ccc(O)cc2)OC1=O 1857753308 RMZWDKIGRKKONG-GAJHUEQPSA-N 374.521 5.839 0 1 FKAF COC(=O)[C@@H](O)CC(C)=CCC[C@@H](C)C=CC=C(C)CCCc1ccoc1 2356439232 JHGCSAXOTKATLR-AVRDEDQJSA-N 374.521 5.391 0 1 FKAF CC1=CCC[C@]2(C)CC[C@@H]3CCC(C)(C)[C@H](O)[C@H]3[C@@H]2CCC(C)=CCC1 2356580578 YCOBKYRODIQCDT-PPWDSJTCSA-N 358.610 7.063 0 1 FKAF CC(C)=C1CC[C@H](C)[C@](C)(CCc2ccoc2)[C@H]1CCC(=O)OC(C)C 2356610751 WXJSQSRTYFZBJE-HARLFGEKSA-N 360.538 6.333 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)sc1C(=O)O 13589569 JYPSLSKJZFPZLL-UHFFFAOYSA-N 372.833 5.411 0 1 FKAF Cc1ccc2c(c1)[C@@H](C(=O)Nc1ccccc1C(C)C)c1ccccc1CO2 13735179 VUUXTSZTYACSOI-DEOSSOPVSA-N 371.480 5.781 0 1 FKAF CCCN(CCC)[C@H]1CCc2ccc3c(CC(F)(F)F)c[nH]c3c2C1 13738703 IIDRMPPLCHQZHE-INIZCTEOSA-N 352.444 5.252 0 1 FKAF COc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3cc4c(cc32)OCO4)cc1 13829803 YQRRFKSPYWIJGA-ICSRJNTNSA-N 360.409 5.080 0 1 FKAF Clc1cc(Cl)c2c(c1)N(Cc1ccccc1)CCc1ccccc1O2 26397652 HGCKTUNZGIUOEL-UHFFFAOYSA-N 370.279 6.348 0 1 FKAF CNc1c(C(=O)c2ccccc2)sc2nc(-c3cccs3)ccc12 27085946 GRZTTZHYTIXTCW-UHFFFAOYSA-N 350.468 5.298 0 1 FKAF CCN1[C@H](CC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CCC1(C)C 28351323 JMUXXPVTXZBUDS-QSXYEBRMSA-N 361.570 5.034 0 1 FKAF CC(C)CN[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12 29037473 PIAONASJEJIRRU-LAUBAEHRSA-N 356.897 5.401 0 1 FKAF CC(=O)Oc1ccc(/C=C/c2cc(F)cc(OCc3ccccc3)c2)cc1 38192619 YYKZRHUXTKOPNM-BQYQJAHWSA-N 362.400 5.500 0 1 FKAF O=C(CCCCCCc1ccccc1)c1nc(-c2cccc(Cl)n2)no1 40395419 VFBPWJFGFCUANY-UHFFFAOYSA-N 369.852 5.161 0 1 FKAF Nc1c(Cc2ccc(Cl)c(Cl)c2)cnc(=S)n1-c1ccccc1 40565213 XCEISPNYKCQHCG-UHFFFAOYSA-N 362.285 5.082 0 1 FKAF CCC[C@@H](O)/C=C/C=C\CCCCCCCc1cccc(O)c1C(=O)O 40891652 DCHNBONJWVKYDD-URINQWBNSA-N 360.494 5.247 0 1 FKAF CC[C@H](C)Nc1cc(-c2c(-c3ccc(F)cc3)noc2C(C)C)ccn1 45260913 ONBWBXOALQFMCF-AWEZNQCLSA-N 353.441 5.877 0 1 FKAF CC1=Nc2ccc(Cl)cc2[C@@H](C2CCCCC2)N1CCN1CCCCC1 72123019 RMIFMNMVSKAOOA-JOCHJYFZSA-N 373.972 5.813 0 1 FKAF COc1cccc(-c2cc3c(Nc4cccc(N(C)C)c4)nccc3n2C)c1 74386873 ATSUQMYBARPVBI-UHFFFAOYSA-N 372.472 5.059 0 1 FKAF C/C=C(/C)C(=O)O[C@H]1C/C=C(\C)CCCC(C)(C)[C@H](OC(C)=O)/C=C\1C 238746453 DJZAMDRFIUQAJH-MSZNEDCPSA-N 362.510 5.289 0 1 FKAF CC[C@H](C)CCCc1c(O)ccc(C(=O)c2cc(Cl)c(Cl)[nH]2)c1O 238783049 QURWKLFOAGYFEG-JTQLQIEISA-N 370.276 5.333 0 1 FKAF Fc1ccc(CNc2nc(N3CCCCC3)nc3cc(Cl)ccc23)cc1 299841001 XHAJEUROGPTATP-UHFFFAOYSA-N 370.859 5.025 0 1 FKAF COc1cc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c2cc1OC 586879597 HMXGGINBXYIGSW-UHFFFAOYSA-N 372.424 5.117 0 1 FKAF C[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C1CCCCC1 586991593 PVVXKLLNEKXSDD-AWEZNQCLSA-N 357.453 5.836 0 1 FKAF Cc1c(Br)ccc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc12 587034087 OSLRMRFUPBQXKW-SECBINFHSA-N 361.308 5.487 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)cc2C1 587034334 SLNIYWUAUTVORZ-CQSZACIVSA-N 372.493 5.647 0 1 FKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(F)c2[nH]1 587034573 PDAXQNVWOZYOTR-HNNXBMFYSA-N 367.449 5.188 0 1 FKAF Cc1ccc(Cc2c(C)nc3c(C)ccc4c3c2-c2ccccc2C4=O)cc1 587099381 GSORMGMJXMWMKM-UHFFFAOYSA-N 363.460 5.962 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587160926 INSJKAKDXRAHTP-RYUDHWBXSA-N 365.633 5.389 0 1 FKAF C=CC(=O)Nc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587244794 UNWTVCIZAZQTJL-UHFFFAOYSA-N 371.465 5.506 0 1 FKAF Cc1ccc2c(c1)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348678 DTQAZGFFFFRJNT-VWNXMTODSA-N 374.411 5.040 0 1 FKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2CC2)[C@H]1c1ccc(F)cc1 587358395 XSTCMXKMBLXHBG-UPVQGACJSA-N 374.411 5.196 0 1 FKAF COc1cccc(-c2cc(-c3csc(=N)[nH]3)nc3c2oc2ccccc23)c1 587365148 AZZXGSVTLHKJOR-UHFFFAOYSA-N 373.437 5.193 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)C[C@H]3C)c1 587367413 PLUXSFYPKPJAJK-CQSZACIVSA-N 357.453 6.441 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3ccc(Cl)c(Cl)c3n1)O2 587380876 XRMDSBAIODVIOY-INIZCTEOSA-N 373.239 5.139 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)ccc1SC(C)(C)C)O2 587385834 QPTSYQDIBUZXHR-NRFANRHFSA-N 373.493 5.488 0 1 FKAF CCCCCc1ccc([C@@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587446046 SCNYDEITDLEEQV-HYBUGGRVSA-N 364.485 5.481 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3Cl)c(CC(=O)O)c2c1 587642359 RGWNKFWAMZAKKT-GFCCVEGCSA-N 371.864 5.638 0 1 FKAF COc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587784304 POHQMAJQVPTIME-NTEUORMPSA-N 356.425 5.321 0 1 FKAF Cc1cccc(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587815193 KOMXQVLZDKZTOR-YJYMSZOUSA-N 362.286 5.003 0 1 FKAF O=C(CCc1ccccc1)c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 587953942 XQDOPAWEDIOGAL-UHFFFAOYSA-N 352.743 5.051 0 1 FKAF CC[C@@]1(Cc2nc3cc4ccccc4cc3[nH]2)CC(=O)c2ccccc2C1 587960052 KCWFGYNZILCOPI-DEOSSOPVSA-N 354.453 5.484 0 1 FKAF CC1(C)CCC(C)(C)c2cc(Cc3ccc(CCC(=O)O)cc3)ccc21 653730337 WLKBQTWVLLDSGD-UHFFFAOYSA-N 350.502 5.644 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(N(C)C)cc2)n1 653778401 LRPWHGMJTOOHPY-OAQYLSRUSA-N 358.489 5.008 0 1 FKAF CC(C)Oc1ccc(-c2cc(C(=O)O)nn2-c2ccc(C(C)C)cc2)cc1 653849864 DMCZSKBVBDIGON-UHFFFAOYSA-N 364.445 5.148 0 1 FKAF CC(C)(C)c1ccc(CN2CCC3(CCc4ccccc4C3=O)CC2)cc1 13734350 JRPGEMWAJXMXHL-UHFFFAOYSA-N 361.529 5.395 0 1 FKAF COc1cc2cc(-c3ccc(OCc4ccccc4)cc3)cnc2cc1OC 13737713 SZYBKBKBMQFSKX-UHFFFAOYSA-N 371.436 5.498 0 1 FKAF N#[N+]c1ccc2c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)[nH]c2c1 13801567 XCWMPGVZCYODDR-UHFFFAOYSA-O 356.361 5.178 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@@]21C 33820881 YBJJCKIGXYAVGR-XRFOOGGDSA-N 372.549 5.347 0 1 FKAF O=C(c1ccccc1)c1ccc(-c2ccc(-c3ccc(C(=O)O)o3)cc2)cc1 40585048 UKLDRYNCWUIPPD-UHFFFAOYSA-N 368.388 5.543 0 1 FKAF in-vivo O=C(O)CC1=C/C(=C\c2ccc(Br)cc2)c2ccc(F)cc21 40846922 ROJRYAFCVBNBDH-KPKJPENVSA-N 359.194 5.001 0 1 FKAF Clc1ccc2c(NCCNCC34CC5CC(CC(C5)C3)C4)ccnc2c1 40875272 XROLUQWWPXRCJD-UHFFFAOYSA-N 369.940 5.106 0 1 FKAF Fc1ccc(Nc2nc3c(-c4cccc(F)c4)nc4ccccc4c3o2)cc1 49047322 QDWJQBHCSPDYSD-UHFFFAOYSA-N 373.362 6.065 0 1 FKAF CCCCc1ccc(-c2cc(N[C@@H]3C[C@H](C)CC(C)(C)C3)ncn2)cc1 82162061 GYIMYFQJWRNBEO-FXAWDEMLSA-N 351.538 6.113 0 1 FKAF c1cc2c(cc1C1CCCCC1)[C@H]1OCCC[C@H]1[C@@H](C1CCCCC1)N2 95588675 KHJFMOARCPFDCQ-ZTCOLXNVSA-N 353.550 6.576 0 1 FKAF O=C(CSc1ccnc2cc(C(F)(F)F)ccc12)c1ccc(F)cc1 105409765 YQTPGHYLZURRQZ-UHFFFAOYSA-N 365.351 5.368 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586963872 RNAVTONGIQZNQP-QGZVFWFLSA-N 374.509 6.136 0 1 FKAF Cc1c(-c2ccc(F)cc2F)nc2cccc3c2c1-c1ccccc1C3=O 587103174 GIGSLRKTVJZXTQ-UHFFFAOYSA-N 357.359 5.700 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc(F)cc(F)c3F)nc3cccc1c23 587103236 IYDSJGJNPYNONQ-UHFFFAOYSA-N 361.322 5.531 0 1 FKAF Fc1cc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)ccc1-c1ccccc1 587145870 UDMNXGSTFIGDJS-UHFFFAOYSA-N 371.337 5.374 0 1 FKAF COc1cccc(-c2cc(Cc3ccncc3)nc3c2oc2ccccc23)c1 587361927 APEJZUOOLYCELJ-UHFFFAOYSA-N 366.420 5.642 0 1 FKAF CCc1cccc(CC)c1-n1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587392289 YLOZJFVSKUUNEL-JOCHJYFZSA-N 374.484 5.199 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1oc3cc(C)ccc3c1C)CC2=O 587477336 FSCRIAVOQCRBBX-FQEVSTJZSA-N 350.414 5.414 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(C)c1OCC)CC2=O 587482552 UHJKJFONUSOKIV-HXUWFJFHSA-N 354.446 5.067 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(CC)cc1)(C(C)C)CC2=O 587489810 PURJIUGUZRLOTD-HSZRJFAPSA-N 352.474 5.424 0 1 FKAF COc1ccc2c(c1Cl)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587498433 IIXPFTSXPCAODR-JOCHJYFZSA-N 368.860 5.034 0 1 FKAF COc1cccc(Cl)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587507407 QEVDDIBQOQJKQU-NRFANRHFSA-N 356.849 5.108 0 1 FKAF Cc1c([C@@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2cc(Cl)c(F)cc12 587632108 OZIVIGAUSWHMAJ-INIZCTEOSA-N 366.864 5.731 0 1 FKAF CCc1ccc(-c2[nH]c3ccc([C@@H](C)CC)cc3c2C(=O)C(F)F)cc1 587640963 HOCUOSPAGHDBRF-ZDUSSCGKSA-N 355.428 6.359 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(SC)c2c1 587641513 JRNZRXBOJDYGRI-LBPRGKRZSA-N 363.448 7.089 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 587959032 LCVJLDVWSFFZTR-UHFFFAOYSA-N 367.279 6.436 0 1 FKAF COc1ccc([C@H](C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)cc1 653663057 MTWFBSKQXIGOGP-HNNXBMFYSA-N 373.456 5.688 0 1 FKAF CC[C@@H](C)c1ccc(-n2cccc2[C@@H]2NCCc3ccc(F)c(C)c32)cc1 962087978 BXYWMKROIPFVEJ-GYCJOSAFSA-N 362.492 5.673 0 1 FKAF C[C@]12CC[C@@H]3[C@H]4CCC(F)(F)C[C@@H]4CC[C@@]3(C)[C@@H]1CC=C2n1ccnc1 1772585523 SMDFRXBQPIYDDX-CEMGKJSLSA-N 360.492 6.012 0 1 FKAF CC(C)[C@]1(c2ccc(Cl)cc2)ON(c2ccccc2C(F)(F)F)C1=O 36387711 ZMJAHLRWNZMKQY-QGZVFWFLSA-N 369.770 5.189 0 3 FKAF CC[C@@H](c1cc(=O)[nH]c(SC2CCCC2)n1)c1cccc2ccccc12 5885850 NLEQDBIPFBBVRO-QGZVFWFLSA-N 364.514 5.500 0 1 FKAF c1ccc(C(OCCCc2c[nH]cn2)(c2ccccc2)c2ccccc2)cc1 13560953 GMCPLFMUIIAJCH-UHFFFAOYSA-N 368.480 5.351 0 1 FKAF COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3Cl)O[C@@H]2C)c(OC)c1 28567085 CNLAPZPTMSMSFU-CYXMAGCYSA-N 367.272 5.644 0 1 FKAF Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12 28703808 YQQLLLJHDXFGPW-UHFFFAOYSA-N 360.442 5.190 0 1 FKAF CNC(=O)c1ccccc1SC/C=C(\C)CC/C=C(\C)CCC=C(C)C 40972723 UATVIEUDDKLRJY-YEFHWUCQSA-N 371.590 6.558 0 1 FKAF Cc1cccc(C)c1CN1CCC2(CC1)O[C@@H](CCCF)c1ccccc12 45320320 OSMJKVMHONOYHA-QHCPKHFHSA-N 367.508 5.616 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(Cl)cc3)c2)cc1 95557211 JBEGHPGIFIIZPC-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF Cc1ccc([C@@H]2C[C@H]3CC[C@H]([C@H]2c2ncc(-c4ccccc4)o2)N3C)cc1 100773606 GUXROWKWRXBXAG-SRUXOGRHSA-N 358.485 5.384 0 1 FKAF CN1[C@H]2CC[C@H]1[C@@H](c1cc(C(C)(C)C)no1)[C@H](c1ccc(Cl)cc1)C2 253852566 MCXVQEGECPBTDZ-BOSXTWCSSA-N 358.913 5.359 0 1 FKAF Clc1ccc(C2(c3nnc4c(OC5CCCCC5)cccn34)CC2)cc1 299834958 TWPRIJGADLWQSF-UHFFFAOYSA-N 367.880 5.174 0 1 FKAF Cc1c(F)ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587071549 ONFZEWCAFCHMEU-UHFFFAOYSA-N 366.823 5.910 0 1 FKAF Fc1cc(F)c2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071806 RWPUYZKQGSERDW-UHFFFAOYSA-N 370.786 5.741 0 1 FKAF Cc1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1Br 587084905 IXFFSPHZEPALEF-UHFFFAOYSA-N 372.653 5.502 0 1 FKAF Cc1cc(F)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Cl 587103685 NIMVNAXJCPOQAC-UHFFFAOYSA-N 373.814 6.214 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(Cl)cccc1C3 587104190 PTZDQDUKWBLITF-UHFFFAOYSA-N 353.808 5.671 0 1 FKAF O=C1c2ccccc2-c2cc(-c3c[nH]cc3-c3ccccc3)nc3cccc1c23 587107337 RBKZDFQJARVYSG-UHFFFAOYSA-N 372.427 6.108 0 1 FKAF Cc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357470 ULSCEVBEPLMLHO-JTHBVZDNSA-N 362.400 5.114 0 1 FKAF COc1cccc(-c2c(CC(=O)C(C)C)c(C)nc3c2oc2ccccc23)c1 587366754 ZLOUCTRZVPHHQB-UHFFFAOYSA-N 373.452 5.733 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCCC3)cc1)CC2=O 587473656 AZPJVYBTCPLLAI-JOCHJYFZSA-N 365.473 5.042 0 1 FKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C1CCCC1 587514550 ZMSFEALRQKPDMC-QHCPKHFHSA-N 363.501 5.805 0 1 FKAF Cc1nc(C2CC2)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587529680 AZJSIFVUOAAYNB-OAQYLSRUSA-N 353.487 5.088 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(-c3ccc(Cl)cc3)c2c1 587641636 NXOOKYXSVWJWSP-QGZVFWFLSA-N 373.927 7.977 0 1 FKAF Cc1[nH]c2ccccc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587800271 AVYFKQMFGPNPRY-DGIBIBHMSA-N 373.269 5.002 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC2CCCCCC2)N1 587818196 GPCIZXZJFWWVCN-WBMJQRKESA-N 354.307 5.524 0 1 FKAF CC(C)[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587818665 SCYUAWIOJLNZKL-VFVRVIDISA-N 354.307 5.164 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2coc3ccccc23)N1 587827569 KOWYKHLZVHNNAG-NSPYISDASA-N 374.253 5.132 0 1 FKAF Fc1ccc(-c2csc(Cc3ccc(Br)cc3)n2)cc1F 587922447 QYGBQXZYGVTWFA-UHFFFAOYSA-N 366.230 5.442 0 1 FKAF CCCCCc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923083 MZOQRRCQEJOSEQ-UHFFFAOYSA-N 364.489 6.830 0 1 FKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@H](OC)c1cccc(C)c1 653746401 JJHGIVMKHINQLJ-LJQANCHMSA-N 357.837 5.042 0 1 FKAF CCC[C@@H](C)[C@]1(C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961781333 JAMXVTQGUOYEHO-WAIKUNEKSA-N 372.553 5.489 0 1 FKAF CCCC[C@H]1CCCC[C@]12c1ccsc1CCN2Cc1cccn1C 962373959 KSDDQZGJPKGMBF-PGRDOPGGSA-N 356.579 5.721 0 1 FKAF c1ccc(CC2CCN(CCCCOc3ccc4ccccc4c3)CC2)cc1 1857649180 DIMDSWPUSDOMNS-UHFFFAOYSA-N 373.540 5.954 0 1 FKAF Cc1ccc(Cc2c(-c3ccco3)nc3ccc(Br)cn23)cc1 72136840 PQIQXZGXMYRBJD-UHFFFAOYSA-N 367.246 5.256 0 3 FKAF FC(F)(F)Oc1cccc(-c2n[nH]c3ccnc(-c4ccccc4)c23)c1 74388780 UPAHAWRHMCIBGV-UHFFFAOYSA-N 355.319 5.191 0 3 FKAF C/C(=C\c1c(C)c(O)cc2c1[nH]c1c(O)ccc(CO)c12)CCC(C)C 1895317 YHWUJLWKUDNULF-UKTHLTGXSA-N 353.462 5.373 0 1 FKAF CCN1/C(=C/c2ccc3cc(OC)ccc3[n+]2CC)C=Cc2ccccc21 5585969 VCOZDXKLWWGXTP-UHFFFAOYSA-N 357.477 5.050 0 1 FKAF N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)c(Cl)c1 6427782 CZKWJRNHZNJEEP-YRNVUSSQSA-N 368.717 5.044 0 1 FKAF O=C(C[C@@H](C(=O)c1cccs1)c1ccsc1)c1ccc(Cl)cc1 6513113 VXKMMDDKHOTWIT-OAHLLOKOSA-N 360.887 5.703 0 1 FKAF O=C1c2ccc(Cl)cc2CC[C@@H]1C1CCN(CCc2ccccc2)CC1 13734324 FBCHBSLRWJFVBX-OAQYLSRUSA-N 367.920 5.040 0 1 FKAF CSc1cccc(N(C)C(=N)Nc2cc(SCF)ccc2Cl)c1 34865711 MPUJHSTUPTVTKR-UHFFFAOYSA-N 369.918 5.564 0 1 FKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OCCCC)c(F)c2)n1 72184875 FIXONOIJEHMZAY-INIZCTEOSA-N 362.489 5.718 0 1 FKAF CSc1ccc(CN(Cc2ccccc2)c2ccc3nc[nH]c3c2)cc1 72317633 FXQVCBPFDPNMIH-UHFFFAOYSA-N 359.498 5.492 0 1 FKAF CC1(C)[C@H]2CC[C@H](CNc3cc(Oc4ccccc4Cl)ncn3)[C@@H]1C2 82067418 YWMBVCXILUAJCY-ILXRZTDVSA-N 357.885 5.407 0 1 FKAF OCc1ccc2c(c1)[C@H]1N=NC(c3ccc(-c4ccc(O)cc4)cc3)=C1C2 87612872 UULCTBOACATFCX-HSZRJFAPSA-N 354.409 5.026 0 1 FKAF O=[N+]([O-])C[C@@H](c1ccccc1)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 207860603 XFHLSVWHPWXTJH-IBGZPJMESA-N 360.388 5.383 0 1 FKAF Clc1cccnc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587064997 JXKMSNLFNNXWKQ-UHFFFAOYSA-N 362.845 5.555 0 1 FKAF COc1ccc2c(c1)-c1nc3c(C)ccc4c3c(c1C2)-c1ccccc1C4=O 587096191 ARKKOOPJBYEWNP-UHFFFAOYSA-N 363.416 5.334 0 1 FKAF Fc1ccc(/C=C(\c2nc3ccc4c(c3[nH]2)CCCC4)c2cccs2)cc1 587163772 KRVLZQMJYNZIMF-RGEXLXHISA-N 374.484 6.231 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2sccc2C3)c1 587366787 QITJOXFZUBKIDU-UHFFFAOYSA-N 369.445 6.289 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1ccc(Cl)cc1)(C(C)C)O2 587379837 XQGVLSGXCXYMMT-NRFANRHFSA-N 357.881 5.223 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)c(C)cc1OC)CC2=O 587459350 HZYHFFKSORUKRS-OAQYLSRUSA-N 374.864 5.196 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1F)(C1CCCC1)CC2=O 587467081 PYUKKANMMHXXCC-QHCPKHFHSA-N 368.448 5.535 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3)cc1O)CC2=O 587492871 YXTGWEHHTXNKKF-QHCPKHFHSA-N 374.436 5.424 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603107 KXIBBLGOUODVPA-ZCJPYKDOSA-N 366.457 5.185 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)cc2)N1 587699439 KRIWOWAGRJPULD-QGHHPUGFSA-N 368.677 5.039 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(F)=C(F)F)N1 587707423 VPKVXRJFFDPDSI-AYVTZFPOSA-N 366.196 5.195 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(F)c2)N1 587726564 XQYDVHGHWBIIAV-VPTHRUTESA-N 372.640 5.004 0 1 FKAF CCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587810884 DLTKDNQPRNRLDA-YJYMSZOUSA-N 362.286 5.166 0 1 FKAF Cc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1Cl 587950045 OTJBOOJGJVVSIG-QXMHVHEDSA-N 360.844 6.487 0 1 FKAF Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1c(F)cccc1Cl 962397001 ITOIEPVEWCZKCB-FQEVSTJZSA-N 374.912 5.201 0 1 FKAF CCCc1cc2c(O)nc(Cc3ccc(-c4ccccc4)cc3)nc2s1 1772619726 YCGPTWMVPFCYBZ-UHFFFAOYSA-N 360.482 5.607 0 1 FKAF CC(C)C1=C[C@@H]2[C@](C)(OC(=O)C=Cc3ccccc3)CC[C@@H](O)[C@]2(C)CC1 2356560887 IHVHEWJJIVUKSI-XWVZOOPGSA-N 368.517 5.155 0 1 FKAF C[C@@]1([C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CCC(=O)O1 253961161 KYUZKRJIOGSDGT-JAAPGPOJSA-N 372.549 5.022 0 3 FKAF aggregator CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3ccsc3)cc12 1489785 NCYHNJRGMFRYAC-UHFFFAOYSA-N 351.397 5.588 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1O 13441096 TYKDSBXNYFQMEU-UHFFFAOYSA-N 373.512 6.065 0 1 FKAF O=C(CCCCCCOc1ccc(-c2ccccc2)cc1)c1ccccn1 13587154 ATPJDWJWLDVURK-UHFFFAOYSA-N 359.469 5.961 0 1 FKAF O[C@H]1CCCc2nc3ccccc3c(NCc3ccccc3C(F)(F)F)c21 14946512 IJPJFSRSZPHFNX-SFHVURJKSA-N 372.390 5.235 0 1 FKAF Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCc2ccncc2)c1 26019629 FGEXGANWPSRWHR-UHFFFAOYSA-N 369.512 5.222 0 1 FKAF COc1cccc2[nH]cc(CCCCCCCCCCCCCCO)c12 28638447 PQGIYPPEBKCVAS-UHFFFAOYSA-N 359.554 6.393 0 1 FKAF Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1C(C)C 66101255 MSBNMGXQIKPZGA-UHFFFAOYSA-N 353.469 6.033 0 1 FKAF CCC1=CC2=N/C1=C\c1ccc([nH]1)CCCCCCCCCc1ccc2[nH]1 89455516 IWCZUNJQRMEDCV-QJOMJCCJSA-N 361.533 6.352 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c([C@@H]2C=C(C)[C@H]3C[C@H]2C3(C)C)c(O)c1 101261460 LBBFVAWQNJMLBX-VAMGGRTRSA-N 370.577 7.052 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(O)c3)c3c(n2)-c2ccccc2OC3)c1 473119898 NLBWPGSRZHRZMF-UHFFFAOYSA-N 367.404 5.386 0 1 FKAF COc1cc(/C=C/c2ccc3c(c2)c2ccccc2n3C)cc(OC)c1OC 473245133 VNUUJTWVEXKSOB-MDZDMXLPSA-N 373.452 5.528 0 1 FKAF CCCCCOc1cc2nc([C@H]3C[C@@]3(C)CC)[nH]c2cc1Br 586890875 PMERZYSNVFNMSR-KZULUSFZSA-N 365.315 5.798 0 1 FKAF CCc1oc2ccccc2c1-c1nc2ccc(F)c(Br)c2[nH]1 586904663 XUQYGGFPGVSUDE-UHFFFAOYSA-N 359.198 5.440 0 1 FKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cccc(O)c2[nH]1 586982797 QFQHPSIXBLJAHE-CQSZACIVSA-N 373.294 5.403 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C1(CCCCC1)CCC4)-c1ccccc1C2=O 587100643 NGEQNJBANTVPGA-UHFFFAOYSA-N 367.492 6.293 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H](CCC(C)C)CC4)-c1ccccc1C2=O 587102131 YQCRKICKGTXUJE-MRXNPFEDSA-N 355.481 6.221 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587112895 ICLWLZDIIBWCAZ-ZDUSSCGKSA-N 360.423 6.225 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4cc(Cl)nc(Cl)c4[nH]3)C2)c1 587131461 JDZRFCVMIQUILW-UHFFFAOYSA-N 354.187 5.146 0 1 FKAF COc1c(F)ccc(F)c1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587132326 AXNOVCUHIFUFDG-UHFFFAOYSA-N 352.340 5.309 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(Br)c(F)c3[nH]2)c1F 587152533 PJFQYYULPAWUBI-BDAKNGLRSA-N 367.168 5.014 0 1 FKAF Cc1cc(Cl)cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 587158024 GZQRZCAJXXKIOI-UHFFFAOYSA-N 364.807 5.810 0 1 FKAF Fc1ccc2[nH]c(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c(Cl)c2c1 587173247 AMNRPTQONABWKL-UHFFFAOYSA-N 354.599 5.811 0 1 FKAF Cc1ccccc1[C@H]1C[C@H]1c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208689 XWZIHGDFYOVBEE-NHCUHLMSSA-N 361.444 6.026 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cnc(Cl)cc3c1)CC2=O 587458843 BNTIINAKWWMUHN-LJQANCHMSA-N 367.832 5.253 0 1 FKAF O=C1C[C@@H](c2csc3ccc(Cl)cc23)Oc2c1ccc1c2CCCC1 587536114 RKZTYVWOWLNZNI-IBGZPJMESA-N 368.885 6.140 0 1 FKAF Cc1cc(F)ccc1NC(=O)c1c(-c2ccccc2)[nH]c2cccc(F)c12 587634517 INFOUGPUCMCESU-UHFFFAOYSA-N 362.379 5.674 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccc(Cl)cc2)N1 587701627 VKUGAWKVWYGIFQ-BMIGLBTASA-N 368.677 5.060 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4ccc(OC(C)C)cc4[nH]3)ccc2c1 587934252 GTLATYNFYXCCFX-OAHLLOKOSA-N 360.457 5.664 0 1 FKAF Cc1cc(Br)c2[nH]c(/C=C\c3cccc4ccccc34)nc2c1 587969011 PITDQRXFOIWMDE-KTKRTIGZSA-N 363.258 5.957 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(Cl)cc3)nc3c2Cc2ccccc2-3)c1 653738950 ZSBNLPTZBHKJRJ-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF COc1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)ccc1OC(C)C 962665486 KTTWVNNGAHNKNH-RUZDIDTESA-N 373.496 5.385 0 1 FKAF CCO[C@]1(C)C[C@@]23CC[C@@H]4[C@](C)(COC(C)=O)CCC[C@@]4(C)[C@H]2C=C[C@H]1C3 2356485668 OWUYFGXZDKBJRR-OXBTUOTGSA-N 374.565 5.534 0 1 FKAF CC(=O)O[C@@H]1C[C@H]2C(C(C)C)=CC[C@]2(C)CC=C(C(=O)O)CCC=C1C 2356607083 PGLAOOCIGQLYBN-VWPQPMDRSA-N 360.494 5.058 0 1 FKAF CC(=CCCc1ccoc1)CC=C[C@]1(C)CC[C@H]([C@]2(C)CCC(=O)O2)O1 2356746657 KJTXBIXWWIZNLF-FCEUIQTBSA-N 358.478 5.138 0 1 FKAF CN1C[C@@H]2[C@H](c3ccccc3)C3(c4cccnc4)CC2(C3)[C@H]1c1ccccc1 13812975 UKSLWRALKJDMKI-WIPBBCIJSA-N 366.508 5.200 0 3 FKAF O=C(Nc1ccc2sc(-c3ccccc3)nc2c1)c1ccccc1Cl 3033949 LMROSZYJRUSTPB-UHFFFAOYSA-N 364.857 5.869 0 1 FKAF N=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc(-c2ccccc2)cc1 13780929 LAZZQYZMHUJGST-UHFFFAOYSA-N 363.464 6.479 0 1 FKAF O=C(Oc1cccnc1)c1ccccc1Nc1cccc(C(F)(F)F)c1 27109560 KKFLWGSJTYWGEW-UHFFFAOYSA-N 358.319 5.063 0 1 FKAF Cc1cccc(Cn2c(CC(F)(F)F)nc3cc(Cl)c(Cl)cc32)c1 28817603 YKNJEMOWMCPKCY-UHFFFAOYSA-N 373.205 5.805 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)c1ccc(O)cc1O 38824075 MPFBSHWWHMIGCL-UBIAKTOFSA-N 356.506 6.480 0 1 FKAF CC1(C)CC(=O)c2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2C1 49802944 FXKCJZZFKWOKFW-UHFFFAOYSA-N 361.872 6.224 0 1 FKAF Cc1cc([C@@H]2[C@@H]3CC[C@H](C[C@H]2c2ccc(Cl)c(Cl)c2)S3)on1 66111513 JHGFPQGHZNDWJN-FCLUMBPUSA-N 354.302 5.825 0 1 FKAF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)[C@H]1C(=O)C[C@@H](C)CC1=N2 169722020 FMSPMCATPJWWEM-WNVHLOTPSA-N 370.855 5.642 0 1 FKAF c1ccn(-c2ccc(OCCCOc3ccc(-n4cccc4)cc3)cc2)c1 473117566 ZQEPXZGFCNUUBL-UHFFFAOYSA-N 358.441 5.116 0 1 FKAF O=C(c1cnc(Nc2ccc(F)cc2F)s1)c1ccccc1Cl 473130927 MSPJXCARRAHCLI-UHFFFAOYSA-N 350.777 5.049 0 1 FKAF Cc1cc(Br)c2[nH]c(CCc3cc4ccccc4o3)nc2c1 586902671 BIZQINQGCSUIMP-UHFFFAOYSA-N 355.235 5.165 0 1 FKAF FC(F)(F)c1cc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2cc1Br 587092322 DAZLQOIGYUTEEV-WHFBIAKZSA-N 373.094 5.010 0 1 FKAF Cc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1C 587116368 VFVYYFQFYRLZGJ-UHFFFAOYSA-N 370.172 5.023 0 1 FKAF Cc1ccc(/C=C/c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1F 587146543 PLIKGGHRQLOCAJ-QPJJXVBHSA-N 352.356 5.793 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2cc(C)c(Br)cc2[nH]1 587155199 KLHFEBZKOLJRRU-HNNXBMFYSA-N 363.230 5.303 0 1 FKAF CCc1ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2c1 587247101 GVVZDTXQXJFKTI-UHFFFAOYSA-N 357.457 5.540 0 1 FKAF Cc1cccc(Br)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501172 WIQWUSAMLKQRMM-GOSISDBHSA-N 371.274 5.343 0 1 FKAF CC(C)[C@@]1(c2cc(F)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587503552 HKYXEKFBEFFCTG-JOCHJYFZSA-N 356.412 5.360 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccccc2c1 587602985 MBCZABYWBCGKMU-ZJSXRUAMSA-N 368.388 5.248 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)c3ccc(Cl)cc3)c(C(F)(F)F)[nH]c12 587624471 NCQGRJSQXUYQCZ-UHFFFAOYSA-N 372.173 6.033 0 1 FKAF Cc1c(-c2ccc(Br)cc2O)[nH]c2cc(Cl)c(F)cc12 587628396 NXUMLJKYRCEDSX-UHFFFAOYSA-N 354.606 5.404 0 1 FKAF CCc1c(-c2cn(CC(=O)O)c3ccccc23)[nH]c2cc(Cl)c(F)cc12 587631929 MOQBOHDPOWIBCT-UHFFFAOYSA-N 370.811 5.229 0 1 FKAF Fc1ccc2c(-c3ccccc3)c(-c3ccc(Cl)c(Cl)c3)[nH]c2c1 587632754 KNPWMGXETCJZOX-UHFFFAOYSA-N 356.227 6.948 0 1 FKAF CCCCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2cccc(F)c12 587633807 LIGZQVVSJDFJLD-UHFFFAOYSA-N 351.343 6.215 0 1 FKAF Clc1ccnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 587783767 HCUYOUPDHQBWSM-DHZHZOJOSA-N 361.832 5.361 0 1 FKAF OCCc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587951083 WBGXMSRDEGTHKT-QBFSEMIESA-N 356.425 5.060 0 1 FKAF Clc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Cl 587956508 RXZPICGSRVQIFY-INIZCTEOSA-N 367.279 6.244 0 1 FKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@@H](SC)c1ccccc1 653728059 MDXWLYXNYPPKDZ-SFHVURJKSA-N 359.878 5.450 0 1 FKAF Cn1cccc1CN1CCc2sccc2[C@]1(C)c1c(F)cccc1Cl 962397002 ITOIEPVEWCZKCB-HXUWFJFHSA-N 374.912 5.201 0 1 FKAF CC[C@]1(c2cc(Cl)cc(Cl)c2)N[C@H]2CC[C@H]2c2ccc(OC)cc21 962991846 FPZNXDKPEAZCDT-YSIASYRMSA-N 362.300 5.505 0 1 FKAF CC[C@H](c1cccc(OC)c1)[C@@]1(CC)c2ccc(F)cc2C[C@H]2CCCN21 963106845 NZBPTWIBRUYVQS-BKULYWANSA-N 367.508 5.654 0 1 FKAF CC(C)c1cc([C@]2(C(C)C)c3c(F)cccc3C[C@@H]3CCCN32)ccc1O 963108488 PFHHNSZIACTGEF-YADARESESA-N 367.508 5.575 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cccc(-c2ccc(C)cc2)c1 963228243 LEOQMOVEHWNKHI-RXFWQSSRSA-N 355.525 6.408 0 1 FKAF C/C=C1/CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772633611 GJVKKAUAEKPRDC-BKXBLJBDSA-N 369.637 6.830 0 1 FKAF CCc1ccc(-c2cnc(N)c(C(=O)Nc3c(C)cccc3Cl)c2)cc1 1857546314 RYPJKCMSNLXGKM-UHFFFAOYSA-N 365.864 5.107 0 1 FKAF CC(=O)OC(C)(C)CCC[C@H](C)CCC[C@@H](C)C[C@H]1CC(C)=CC(=O)O1 2356636028 SKZOHFSPGLBGJP-HLIPFELVSA-N 366.542 5.593 0 1 FKAF COc1ccc(CN2CC[C@](C)(Oc3cccc(F)c3)C2)c2ccccc12 61926610 UMNDBDNXPSFPNZ-QHCPKHFHSA-N 365.448 5.031 0 3 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCO 13761099 KFUGLIFIBPAGFC-DOFZRALJSA-N 361.570 5.631 0 1 FKAF Oc1ccc([C@]2(c3ccccc3)[C@H](c3ccccc3)C2(Cl)Cl)cc1 28106675 BXXFQDJABDJKOP-VQTJNVASSA-N 355.264 5.650 0 1 FKAF Cc1cc(-c2cccc3ccn(C)c23)c(Cl)c2c1NC(C)(C)C[C@H]2C 29043497 XYAPBFRUZQERGJ-CQSZACIVSA-N 352.909 6.505 0 1 FKAF Clc1ccc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1Cl 29309850 SGINPEIXESHECF-ROUUACIJSA-N 352.261 5.215 0 1 FKAF CCCC[C@]1(CC)Cc2ccccc2-c2nc(-c3ccccc3)[nH]c(=S)c21 34133671 WLVDHPFCUYFJEI-XMMPIXPASA-N 374.553 6.867 0 1 FKAF O=C(Nc1nccs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 45349992 XABDVRNYFPCRAQ-UHFFFAOYSA-N 363.269 5.221 0 1 FKAF CCCc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 66101253 VWOYBCVFPLKBOQ-UHFFFAOYSA-N 353.469 5.862 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 85490422 RPKLZQLYODPWTM-CTOIZRMFSA-N 360.582 6.536 0 1 FKAF COc1cccc(-c2nccc(NCc3ccc(Cl)c(Cl)c3)n2)c1 96271409 NMJJBCOZMKLKKR-UHFFFAOYSA-N 360.244 5.071 0 1 FKAF C[C@H](c1cccc2ccccc12)N(C)Cc1ccc(-c2ccccc2)cc1 96930046 NGKGDAJLTDWAHS-HXUWFJFHSA-N 351.493 6.700 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccncc2)C[C@H](c2ccccc2)C1 103915676 MEUMSALDYVXAIJ-MHECFPHRSA-N 367.452 5.711 0 1 FKAF O=[N+]([O-])C[C@H](c1ccccc1)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 207860559 XFHLSVWHPWXTJH-LJQANCHMSA-N 360.388 5.383 0 1 FKAF CC/C=C/C=C/C=C/CC/C=C/C[C@H](C(=O)O)[C@@]12C=C[C@H]3[C@@H]1C[C@@H]1[C@H]3[C@@H]12 255269804 TVVSGJJGORSLDY-WGTHVNLLSA-N 350.502 5.560 0 1 FKAF Cc1c(Oc2ccccc2F)c(OC(C)C)nn1-c1ccc(C2CC2)cn1 473105014 RBGUCBAZRNBCCI-UHFFFAOYSA-N 367.424 5.172 0 1 FKAF Oc1c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)ccc2c1CCCC2 586897704 ICESXHHCGXUOTG-UHFFFAOYSA-N 370.452 5.393 0 1 FKAF Cc1ccc(SCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(C)c1 586964824 LNHBXKDHIKGUIK-UHFFFAOYSA-N 374.513 5.303 0 1 FKAF Cc1ccc(CSCCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 586970223 IQSCXMWDRKJRBN-UHFFFAOYSA-N 366.408 5.246 0 1 FKAF CCCCCC[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991448 MLWNHMRZQAJBPT-HNNXBMFYSA-N 371.480 6.152 0 1 FKAF c1ccc(Oc2ccc3nc(Cc4csc(-c5ccco5)n4)[nH]c3c2)cc1 587016785 DIBZNUCRGGNAFW-UHFFFAOYSA-N 373.437 5.663 0 1 FKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(F)cc(F)c4[nH]3)c2)c1 587049885 NBZMZOJVEOZQAF-UHFFFAOYSA-N 368.770 5.641 0 1 FKAF Cc1nc2cccc3c2c(c1Cc1ccccc1F)-c1ccccc1C3=O 587104007 PPJOKICRHAYAKI-UHFFFAOYSA-N 353.396 5.485 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587113534 MSKBVBYKSPMOMN-SECBINFHSA-N 373.300 5.342 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Cl)ncc3[nH]2)c1 587238683 LNRJDJKEBOFHAB-UHFFFAOYSA-N 363.852 5.221 0 1 FKAF CC[C@H](C)c1ccc([C@@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587446415 WOBCZHONNCCNBA-LEDSTXDGSA-N 350.458 5.262 0 1 FKAF CCCC[C@H]1Cc2ccccc2[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 587481432 MABJZMACINNDLU-XDHUDOTRSA-N 364.485 5.568 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OC1CCCC1)CC2=O 587489247 NUFNVZNQKAECRR-JOCHJYFZSA-N 366.457 5.373 0 1 FKAF O=C1C[C@@]2(CCCc3cccc(Cl)c32)Oc2c1ccc1c2CCCC1 587500484 PFMRGANEZSXSMM-JOCHJYFZSA-N 352.861 5.416 0 1 FKAF O=C1C[C@@]2(CCc3cc(C(F)(F)F)ccc32)Oc2c1ccc1c2CCCC1 587509958 UPHWZQCINMLZSM-OAQYLSRUSA-N 372.386 5.391 0 1 FKAF C[C@]1(c2ccc(-c3ccncc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514761 JWFLCAOGINACRL-RUZDIDTESA-N 369.464 5.508 0 1 FKAF C[C@]1([C@@H]2C[C@H]2c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587530608 GDHFUKCXBWGZMI-WHSLLNHNSA-N 372.917 5.808 0 1 FKAF Cc1c(-c2cc(Br)ccc2O)[nH]c2c(C)cc(Cl)cc12 587623234 AYTUPSMYVUHUTQ-UHFFFAOYSA-N 350.643 5.573 0 1 FKAF Fc1cccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccc(Cl)cc2)c1 587630760 PAMQVGLLPFGGPE-UHFFFAOYSA-N 374.217 7.087 0 1 FKAF Cc1cccc(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587815670 OMXUUGBYBZJZFV-YJYMSZOUSA-N 362.286 5.003 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587820588 ATAKSFXTICDOLC-CFLYGVGMSA-N 368.334 5.410 0 1 FKAF O=C(Oc1ccccc1)N1CCC(CCn2ccc3cc(F)ccc32)CC1 1857633776 YIFDTSLCDDKXFO-UHFFFAOYSA-N 366.436 5.082 0 1 FKAF CC(=CCO)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 2356388526 IRJHFRKRPYTYCQ-RBZQAINGSA-N 366.674 8.171 0 1 FKAF CC1=C[C@@H]2[C@@H]([C@@H](OC(=O)C=Cc3ccccc3)CC(C)=CCC1)C2(C)C 2356477852 JYEVPOCBZDNGDL-GIWBLDEGSA-N 350.502 5.960 0 1 FKAF CC(C)=CCc1c(O)cc2c(c1C=Cc1ccccc1)C[C@H](O)C(C)(C)O2 2356782836 KKSDBZMBXBGTRS-QHCPKHFHSA-N 364.485 5.146 0 1 FKAF C[C@@]1(Cc2cccc(C(F)(F)F)c2)C(=O)Nc2c(Cl)ccc(Cl)c21 61927143 ABAXPSFNYNYDKL-INIZCTEOSA-N 374.189 5.465 0 3 FKAF C[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1)c1cn(C)c2ccccc12 203463306 YTQJYNJELUKXSF-OAHLLOKOSA-N 350.462 5.677 0 3 FKAF C[S@@](=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N 5658626 BCCLLEGQIPOMJZ-DEOSSOPVSA-N 370.524 5.011 0 1 FKAF COC(=O)[C@H](C)/C=C/C=C(\C)CCC1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C 14615415 KIYHLAKXAOIJFX-SNQDTNPLSA-N 372.593 7.021 0 1 FKAF COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3Cl)O[C@@H]2C)c(OC)c1 28567087 CNLAPZPTMSMSFU-XNPNBVRTSA-N 367.272 5.644 0 1 FKAF C[C@]12CC[C@@H]3[C@@H](CCC4=C(SCF)C(=O)CC[C@@]43C)[C@@H]1CCC2=O 29341923 NJRKOHLHHUDPLF-NTLNUMAZSA-N 350.499 5.075 0 1 FKAF Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1F)C(C)(C)CCC2(C)C 45291239 WORNOTFUYKEQRZ-UHFFFAOYSA-N 368.448 5.412 0 1 FKAF O=C(NCCc1ccccc1Cl)c1cc(-c2ccncc2)ccc1Cl 72180159 XSOBJKMQOOTZTK-UHFFFAOYSA-N 371.267 5.028 0 1 FKAF CCCCC/C=C/C/C=C/C/C=C/C/C=C/CC[C@H](C)C(=O)NCCO 87723098 POPPPMLPRVFFPI-ZPVSXSKASA-N 361.570 5.487 0 1 FKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc([C@H](C)O)cc1 96940164 RMNUOCJSKSTSEA-KRWDZBQOSA-N 370.448 5.797 0 1 FKAF CCCCCc1cc(OC)c(C2=C[C@H]3CC[C@]2(CO)C3(C)C)c(OC)c1 117485550 JGZCPDOWBUWFGZ-UZUQRXQVSA-N 358.522 5.248 0 1 FKAF O=C(/C(=C(\C=C1CCCCC1)c1ccccc1)c1ccccc1)N1CCCC1 169345499 FESGMRKIOFCHCV-OCOZRVBESA-N 371.524 6.110 0 1 FKAF Cc1nc(-c2c[nH]cc2-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cs1 587022531 YHGZGYQTNGOUBU-UHFFFAOYSA-N 366.343 5.148 0 1 FKAF Cc1c(-c2nc3cccc(C(C)(C)C)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165766 CVNJIGSNWLQCCH-UHFFFAOYSA-N 361.464 5.980 0 1 FKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(F)c(F)cc2[nH]1 587247764 SOKDCFDPDFAIGJ-UHFFFAOYSA-N 365.383 5.256 0 1 FKAF N[C@@H](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)c1cccc2ccccc12 587259557 VOORELOIJZZLFA-INIZCTEOSA-N 356.256 5.265 0 1 FKAF O=C(c1cc2c(Br)cccc2s1)c1coc2ccccc12 587280995 NFIWLUJHIPPRSJ-UHFFFAOYSA-N 357.228 5.641 0 1 FKAF CC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423190 TWGBOLUUQNHBOQ-YJYMSZOUSA-N 363.240 5.055 0 1 FKAF COc1cc2c3c(c1)O[C@H](CCCCCCCCCCC(C)C)[C@@H](C2)C3=O 587445510 KLZQHKAZLVHERO-NHCUHLMSSA-N 372.549 6.368 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(C)c1)CC2=O 587487650 GCCXJBCFUUIEHI-RUZDIDTESA-N 372.464 5.562 0 1 FKAF Cc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587495423 CEZLWOIJBZSFEY-IBGZPJMESA-N 371.274 5.343 0 1 FKAF CCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587525199 TZNKSHPWKLLUPC-NRFANRHFSA-N 366.457 5.069 0 1 FKAF O=C1C[C@H](c2ccccc2-c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 587529408 BNNOGUNWYJIWJF-XMMPIXPASA-N 370.448 5.645 0 1 FKAF Cc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587604200 VCLJUTKVRCFNJX-URXFXBBRSA-N 374.436 5.194 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(Nc3ccc(Cl)cc3)c2c1 587640251 GPTACNTWZKHOTD-MRXNPFEDSA-N 374.915 7.745 0 1 FKAF CSc1ccc(-c2csc(CC(=O)Nc3ccc(Cl)cc3)n2)cc1 587925159 PGSBHEGROAMKIN-UHFFFAOYSA-N 374.918 5.367 0 1 FKAF CC[C@]1(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587960582 MLZQQUHYJPZNFR-LJQANCHMSA-N 374.271 5.033 0 1 FKAF Fc1ccc2nccc([C@H]3NCCc4cccc(-c5ccccc5)c43)c2c1 962662725 FXEXGYRBUZNBES-XMMPIXPASA-N 354.428 5.276 0 1 FKAF C[C@H](c1cccc(Cl)c1)[C@H]1c2cccc(Br)c2CCN1C 963279682 ISBUFCYGYYZIAD-XIKOKIGWSA-N 364.714 5.435 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@H]1CCC2=O 2356674576 NIXXKMPUWREKQR-IOLGYRNBSA-N 372.549 5.430 0 1 FKAF CC[C@H](CCC(=O)N(c1ccccc1)c1ccccc1)c1ccc(C)cc1 203473045 WEWYNSCNPPLQPH-OAQYLSRUSA-N 357.497 6.634 0 3 FKAF C/C(=C\c1ccc2ccc(Cl)cc2n1)c1cccc(O[C@H](C)C(=O)O)c1 13727988 OBKYYCSRBOOXHT-JWAFFJSPSA-N 367.832 5.301 0 1 FKAF CC1=CCO[C@@]2(C)CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4[C@@H](O)C[C@@]3(C)[C@@H]2CC1 15154537 QYJVOUQEESLRBV-KHAGACEDSA-N 374.609 6.132 0 1 FKAF CCCCCCOc1ccccc1-c1nnc(NNc2ccccc2)s1 26381939 FVJVZRXPLOGYAD-UHFFFAOYSA-N 368.506 5.603 0 1 FKAF CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3cccc(Cl)c32)CC1(C)C 36238027 CRLRIFICOHQHTR-UYAOXDASSA-N 372.915 5.082 0 1 FKAF Cc1ccc(-c2ccc3scc(-c4ccc([S@@](C)=O)cc4)c3c2)o1 45284086 BLIDTQXUCVVXAD-DEOSSOPVSA-N 352.480 5.874 0 1 FKAF CCC(=C(c1ccccc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 58583626 DZYODCFQFVLDCP-UHFFFAOYSA-N 362.494 5.459 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3cccs3)c2)cc1 95555274 UKUROFUVJJZGDJ-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF CCOC(=O)COc1ccc(-c2ccc(O)c(C(C)C)c2)cc1C(C)C 95557521 XDHIUFGVGIPHQO-UHFFFAOYSA-N 356.462 5.248 0 1 FKAF CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)s1 95584348 RFAFMBXMQPXCBY-GOSISDBHSA-N 352.484 5.241 0 1 FKAF Clc1cccc2[n+]1[C@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2ccccc21 100722194 RLTTTWDHHVWAAZ-UNMCSNQZSA-N 374.847 5.238 0 1 FKAF CCCCC[C@@H]1Cc2c(cc3c(c2O)C2=C(CC[C@H](C)C2)C(C)(C)O3)[C@H]1C 299849643 OULDIDDGYPPUQU-YESZJQIVSA-N 368.561 6.993 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1 586880937 IPBJTGSFGXOZDI-UHFFFAOYSA-N 350.359 6.075 0 1 FKAF O=C1CCC[C@@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC1 586884270 MHHNOGSYPAZRKN-MRVPVSSYSA-N 364.289 5.217 0 1 FKAF CC1(C)COc2c(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)cccc21 586911693 LCUZMRMFFUQYCN-UHFFFAOYSA-N 364.392 5.512 0 1 FKAF Cc1cccc2c1[C@@H](C)c1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991059 QSESLBMSMIEYLB-CYBMUJFWSA-N 363.416 5.592 0 1 FKAF Clc1ccc(-c2nc(-c3nc4ccc5c(c4[nH]3)CCCC5)cs2)cc1 587015440 CZLZIAHVHOQTPS-UHFFFAOYSA-N 365.889 5.886 0 1 FKAF Oc1ccc2scc(-c3nc4cc(Br)cc(F)c4[nH]3)c2c1 587032708 NKKQMHXWWSOXCF-UHFFFAOYSA-N 363.211 5.052 0 1 FKAF CO[C@@H](c1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098439 XZDQZFMGHSBICI-VWLOTQADSA-N 365.432 5.490 0 1 FKAF CC(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587104189 ONURFFQOQIHZDG-UHFFFAOYSA-N 364.404 5.072 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587114937 ZUMIZWNXHPVBER-VIFPVBQESA-N 373.205 6.235 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)cc(F)c3[nH]2)c1F 587152411 MRYJDJMTLOJQTM-ZJUUUORDSA-N 367.168 5.014 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(Cl)cc4[nH]3)c2)c1 587160351 PHYNLTJYJBUJFV-UHFFFAOYSA-N 352.796 5.698 0 1 FKAF Fc1ccc(/C=C(\c2nc3cnc4ccccc4c3[nH]2)c2cccs2)cc1 587164671 UWCATELLFKCHBU-ATVHPVEESA-N 371.440 5.901 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)cc(Cl)cc1Cl)CC2=O 587460025 KUJXJYIACJRTHB-MRXNPFEDSA-N 367.228 5.064 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1oc3ccc(C)cc3c1C)CC2=O 587476655 DINOPJYXBSGUCB-FQEVSTJZSA-N 350.414 5.414 0 1 FKAF O=C1C[C@@H](c2cccc(OC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587502283 DKVDWYRFWDTEGJ-SFHVURJKSA-N 362.347 5.171 0 1 FKAF O=C1C[C@@H](c2ccc(F)cc2OC(F)F)Oc2c1ccc1c2CCCC1 587505577 MAIXNEYJQLVJPZ-SFHVURJKSA-N 362.347 5.012 0 1 FKAF COc1cccc(OCc2ccc(-c3nc4c(F)cc(F)cc4[nH]3)cc2)c1 587781300 SPQLYFYWYVHUHC-UHFFFAOYSA-N 366.367 5.096 0 1 FKAF CCCc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587820070 OOGXSVGWTBVPHQ-BUXKBTBVSA-N 362.286 5.164 0 1 FKAF CC1=C([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CC=C1 587823766 RLFQDHZJXMUAIG-SGTLLEGYSA-N 364.302 5.466 0 1 FKAF Cc1ccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)o1 587922505 DCRDGGTXURMJBL-UHFFFAOYSA-N 374.440 6.666 0 1 FKAF Fc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c(F)c1F 587956470 RMMROOPQUQSNNK-OAHLLOKOSA-N 352.359 5.355 0 1 FKAF c1coc(CN2CCc3sccc3[C@H]2CCc2ccc3c(c2)CCO3)c1 962719183 XNKGPALMOKCINQ-HXUWFJFHSA-N 365.498 5.008 0 1 FKAF C[C@H](CCN1CCC(Cc2ccccc2)CC1)c1ccc2cc(O)ccc2c1 1772592240 KOFNCPHYIZQPLG-HXUWFJFHSA-N 373.540 5.994 0 1 FKAF FC(F)(F)c1nc(-n2cccc2)nc2c1C1(CCCC1)Oc1ccccc1-2 1772648275 BBPBDOSFOQKZFJ-UHFFFAOYSA-N 371.362 5.115 0 1 FKAF CC(=O)OCC[C@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C 2356411006 GOELMEMIXUGWKT-ZHXYCXGVSA-N 350.543 5.126 0 1 FKAF CC(C)=CCCC(C)=CC[C@@H](O)C(C)=CCc1cc(C(=O)O)ccc1O 2356766136 LSQRGMPMJOCLHX-HXUWFJFHSA-N 358.478 5.023 0 1 FKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@]12C 2356779049 KBCDSNLTAKWEDU-ZLCNAFIYSA-N 372.637 6.855 0 1 FKAF CCCC[C@H]1[C@H]2C[C@H](OC(=O)Nc3ccccc3C)[C@@H](C2)[C@H]2CCCCN12 263590806 RCOCVPLEBTYLLF-DKBNTXJOSA-N 370.537 5.365 0 3 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)N(C)C)C1 3644099 NLOJUKSOUNWUSW-SNVSEMBOSA-N 360.630 5.183 0 1 FKAF biogenic O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2ccc(Cl)cc12 3757149 DLJABFIFJHENJO-UHFFFAOYSA-N 351.711 5.272 0 1 FKAF c1ccc(Cn2cnc3c(-c4cccs4)nc(-c4cccs4)nc32)cc1 6581110 JELXVYSDMPITBA-UHFFFAOYSA-N 374.494 5.332 0 1 FKAF CCC/C=C(\C)CSC[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 40526247 OISADBQASBHBLJ-WCUKVJGESA-N 366.567 5.461 0 1 FKAF CN(C)Cc1ccc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 45167445 UXKHIEMOZWCUND-UHFFFAOYSA-N 364.876 5.321 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(OC)c2c(c1)OC(C)(C)c1ccncc1-2 59687928 FRKKSADPOQHIHY-DLBZAZTESA-N 367.533 6.705 0 1 FKAF COc1ccc([C@]2(CCNc3cccc(OC)c3)CCOC(C)(C)C2)cc1 72110041 GWTRFVYGSRAMHU-HSZRJFAPSA-N 369.505 5.033 0 1 FKAF Clc1ccccc1CNc1cc(Oc2cccc3cccnc23)ncn1 82068313 HOASBYKJEZTZKN-UHFFFAOYSA-N 362.820 5.083 0 1 FKAF CC(C)CNC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1 84732999 BPLGHMSDVOTOHI-UHFFFAOYSA-N 365.520 6.377 0 1 FKAF O=C1c2ccccc2N[C@@H](c2ccc(-c3ccco3)s2)N1c1ccccc1 95584528 NLBWQKSEAYYXPO-OAQYLSRUSA-N 372.449 5.779 0 1 FKAF CCOc1ccc(-n2ccc3cc(NCc4ccc(CC)cc4)ccc32)cc1 95594606 YAZYNFTXSMINHB-UHFFFAOYSA-N 370.496 6.204 0 1 FKAF CCC[C@@H](C(=O)O)c1c(C)nc2scc(C)c2c1-c1ccc(C)cc1 113123658 BKBJKGIDUGKYED-MRXNPFEDSA-N 353.487 5.857 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)N[C@@H](C)CC 231934352 FSBHLSINBYYIIF-CWSQRDBVSA-N 359.598 7.047 0 1 FKAF Clc1ccc(N(Cc2ccc3ccccc3c2)C2CNC2)cc1Cl 299829238 ZRWQJQNDWMIWEY-UHFFFAOYSA-N 357.284 5.125 0 1 FKAF O=C1NC2=C(CCC/C2=C\C=C\c2ccccc2)[C@@H](/C=C/c2ccccc2)N1 299856114 HUYRLRBRGIBXIB-ZJLKVQNOSA-N 368.480 5.459 0 1 FKAF CCO[C@@H](CC(=O)O)c1ccc(Oc2ccc(Cl)c3ccccc23)cc1 473109484 SDBYHMMVUKTDNS-FQEVSTJZSA-N 370.832 5.838 0 1 FKAF Cc1ccc2c(ccc3nc(Cc4sc(-c5ccccc5)nc4C)[nH]c32)n1 587010902 FRCONIAQLGQLLP-UHFFFAOYSA-N 370.481 5.442 0 1 FKAF FC(F)(F)Oc1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cc1Cl 587041990 GKZMWTIPRZQHMS-AWEZNQCLSA-N 370.783 5.504 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc12 587048762 FHTKSAQLEZSDJM-UHFFFAOYSA-N 360.844 5.980 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc3c(c2[nH]1)CCCC3 587074583 XVFSKIQWSPCHAF-UHFFFAOYSA-N 372.899 6.738 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc5c4CCC5)nc13)-c1ccccc1C2=O 587099558 MQQGJPHJMVKZBF-UHFFFAOYSA-N 361.444 5.910 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587169909 FPDUENKWLGFBSJ-QMMMGPOBSA-N 356.253 5.300 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4ccc(OC(C)C)cc4[nH]3)c2)c1 587232848 DCNKCHKCBZDTCF-UHFFFAOYSA-N 357.457 5.726 0 1 FKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587242269 RKLASDMHZVFPFP-UHFFFAOYSA-N 363.795 5.146 0 1 FKAF CC(C)C[C@H](C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357893 WMBYXXHVYXLEQM-VSUDMRMVSA-N 370.464 5.721 0 1 FKAF CCOC[C@@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362964 NKSTTWRGHCJVCY-INIZCTEOSA-N 373.452 5.723 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C)[C@@H](C)CC3)c1 587367840 XRPULMUQYXUREI-LSDHHAIUSA-N 357.453 6.342 0 1 FKAF CCc1cccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587406154 PXTWFNHVTGWPRQ-DEOSSOPVSA-N 357.453 5.049 0 1 FKAF CC[C@H](C)c1ccc([C@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587446413 WOBCZHONNCCNBA-HLNIAZEUSA-N 350.458 5.262 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1sccc1Oc1ccccc1)[C@@H](C2)C3=O 587451054 IVRAQVYOMPIIPX-YWZLYKJASA-N 364.422 5.038 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C(C)(C)C)c1)CC2=O 587479408 DHMSLGDFGRVDNN-HSZRJFAPSA-N 352.474 5.523 0 1 FKAF Cc1ccc(Cl)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587503339 GNJTVOBFDPMXHR-NRFANRHFSA-N 358.840 5.547 0 1 FKAF O=C1C[C@@H](c2ccc(CSC(F)F)o2)Oc2c1ccc1c2CCCC1 587509020 VXCCGNFAUIZCDB-KRWDZBQOSA-N 364.413 5.321 0 1 FKAF CCCCC[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527955 ZUTHTFAPRBIVKU-AUSIDOKSSA-N 372.505 5.049 0 1 FKAF C[C@@H]1CCCCCCCCCCCc2cc3c(O)nc(O)nc3nc2C1 587562293 VGPXNEKADIKKDC-OAHLLOKOSA-N 357.498 5.072 0 1 FKAF Cc1c(-c2cc(Br)ccc2F)[nH]c2cc(Cl)c(F)cc12 587629417 PFFOCVYUGAONON-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF Fc1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3cnccn3)c12 587633467 CRYWACZIUOFZCK-UHFFFAOYSA-N 357.310 5.450 0 1 FKAF CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2ccc([C@@H](C)CC)cc12 587640199 GFWJBJLWMOCPHT-AWEZNQCLSA-N 369.892 6.102 0 1 FKAF COc1ccc(CCCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1OC 587927685 WFZDRSZCBWJYHZ-UHFFFAOYSA-N 365.260 5.062 0 1 FKAF CC[C@]1(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC(=O)c2ccccc2C1 587960413 LNWHGJQVSPQSQB-HXUWFJFHSA-N 372.390 5.350 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2cccc(C)c2C)(C2CCCC2)N1 962943373 GRPJELOSVDDGOP-IBVKSMDESA-N 372.556 6.143 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)[C@@H]1C[C@H]1c1ccccc1Cl 963242498 QEDFAYTUFTXCPD-LQOJQYNMSA-N 353.937 6.016 0 1 FKAF CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2ccc(C(C)C)cc2)OC1=O 1857644666 BJVIHVBQYYYUPN-ALMVOQMYSA-N 352.518 6.807 0 1 FKAF CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)O 2356572909 SFLIVRHHZBCWND-UHFFFAOYSA-N 362.510 5.760 0 1 FKAF Clc1ccc([C@H]2[C@H]3COc4ccccc4C3=NN2c2ccccc2)cc1 5822821 FMMCIVXQBOSDGP-UGKGYDQZSA-N 360.844 5.314 0 1 FKAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(F)cc1C 13742193 OTUSXWVPTNQGNM-UHFFFAOYSA-N 352.409 5.417 0 1 FKAF COc1ccc(C(=O)O[C@@H]2C=C(C)CCC[C@@]3(C)CC[C@@]2(C(C)C)O3)cc1 15160820 DBJFGKAHADMLDQ-PUHATCMVSA-N 372.505 5.315 0 1 FKAF biogenic CC(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C/c1ccccc1 15207550 YPCMOCVARABHRT-SGITXZBUSA-N 370.533 5.235 0 1 FKAF O=C(O)CSc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 28572552 ANFRWUOYNBBTSG-UHFFFAOYSA-N 365.454 5.268 0 1 FKAF Cc1ccc(Cl)c2sc(-c3ccc(-c4ccc(C(=O)O)s4)[nH]3)cc12 29468671 CUWLPIMBMLICGX-UHFFFAOYSA-N 373.886 6.285 0 1 FKAF CCCCc1ccc(NC(=S)Nc2ccc(OCCC(C)C)cc2)cc1 33488179 RLDALKNAZGESRU-UHFFFAOYSA-N 370.562 6.263 0 1 FKAF 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 38495366 ZKTFUNZCYRUILZ-ROZCUQDQSA-N 368.609 5.072 0 1 FKAF CC(=O)OC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 39378208 JHODWVUVWQQBHM-BSVQJXIHSA-N 374.565 5.126 0 1 FKAF biogenic C[C@H]1C[C@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn32)C1 100619022 QGOZENOWZVKVDU-WOVMCDHWSA-N 370.456 5.284 0 1 FKAF OC1C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl 101195653 IWOBORNYYLIANT-KBPBESRZSA-N 362.300 5.071 0 1 FKAF CO[C@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247443 VQEVVFAFQHQQFY-VHQJYJOSSA-N 351.465 5.742 0 1 FKAF CCCC[C@@H](C(=O)Nc1ccc(-c2ccnc(C)c2)cc1)c1cccc(C)c1 103273524 ALKKVGUCPPVDBI-XMMPIXPASA-N 372.512 6.278 0 1 FKAF Nc1nc(=S)[nH]c2c1[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2 103289564 GQMNMVFERNCVCJ-INIZCTEOSA-N 357.438 5.160 0 1 FKAF FC(F)(F)c1cc(Nc2ccccc2)c2cccc(C(F)(F)F)c2n1 105350687 VOCHHVIYLXHTHV-UHFFFAOYSA-N 356.269 6.016 0 1 FKAF CC[C@H](C)CCCCCCC/C=C\[C@H](C)[C@H](O)CCCCCC(=O)O 238789324 FVAQKIAHIHAUHV-ILMIWCHOSA-N 354.575 6.352 0 1 FKAF Cc1c(Br)cc2nc(CCCCc3cccc(O)c3)[nH]c2c1C 586896058 IFHWKLBYHFRGIT-UHFFFAOYSA-N 373.294 5.213 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586962102 BIYIDBMYPAZVTA-SNVBAGLBSA-N 354.372 5.715 0 1 FKAF CCc1ccc(-c2nc3cc(OC)c(Cl)cc3[nH]2)cc1Br 586977697 QIABHYMZMKNIMB-UHFFFAOYSA-N 365.658 5.217 0 1 FKAF CC(C)[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@H]1C 586991195 QXXFUEUMJIVJOK-CZUORRHYSA-N 357.453 5.159 0 1 FKAF CCc1ccc(-c2nc(-c3nc4ccc5c(c4[nH]3)CCCC5)cs2)cc1 587015703 IJDYLKQGZCHTNO-UHFFFAOYSA-N 359.498 5.795 0 1 FKAF Cc1c(Br)ccc2nc(CSCc3ccsc3)[nH]c12 587025501 GXIPUQJKUOHWNZ-UHFFFAOYSA-N 353.310 5.129 0 1 FKAF C[C@H]1CCc2sc(-c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)cc2C1 587033393 HXXHVVPATMEDQZ-QMMMGPOBSA-N 370.827 6.088 0 1 FKAF Cc1ccc2c3c(cc(-c4c[nH]c5cnccc45)nc13)-c1ccccc1C2=O 587097080 OTEMOBJVJHKLBN-UHFFFAOYSA-N 361.404 5.298 0 1 FKAF O=C1c2ccccc2-c2c(Cc3nc4ccccc4o3)cnc3cccc1c23 587107316 QPRMMYWZBNAZTL-UHFFFAOYSA-N 362.388 5.178 0 1 FKAF COc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Cl 587131759 CCYIKNZNUHWAKD-NSCUHMNNSA-N 374.696 5.091 0 1 FKAF CC(C)(C)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357528 UWQXIWGSUQKPEG-KNQAVFIVSA-N 356.437 5.475 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(OC)cc(C)c(Cl)c1C)CC2=O 587461758 SPUXRTGBUDDGDF-SFHVURJKSA-N 374.864 5.330 0 1 FKAF COc1cc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C 587521175 BCBSWBGPSOLASQ-OAQYLSRUSA-N 350.458 5.206 0 1 FKAF C[C@]1(CCSc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532549 NZEXVZOJUDRPAQ-QFIPXVFZSA-N 352.499 5.472 0 1 FKAF CCCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587601116 DTWGQTSGDVLCPA-OFNKIYASSA-N 360.409 5.048 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(Br)c(C)c2[nH]1 587950627 NFHBSRYKTOIZHS-GHJWDPDVSA-N 365.315 5.680 0 1 FKAF Cc1cc(Oc2cccc3occc23)ccc1-c1c(C)ncc2nccn12 1857579512 PSZSJNYIOHOZFX-UHFFFAOYSA-N 355.397 5.552 0 1 FKAF CC12CCCC(C(=O)Nc3nc4c(F)cc(F)cc4s3)(CCC1)C2 1857766122 SRADVLNTYIHOQX-UHFFFAOYSA-N 350.434 5.264 0 1 FKAF O=C(c1ccccc1Cl)c1sccc1-c1cccc(C(F)(F)F)c1 1857774464 PUFIKQQYRVLVBM-UHFFFAOYSA-N 366.791 6.318 0 1 FKAF CO[C@]1(C)CC[C@]2(C)[C@H](OC(C)=O)C[C@]3(C)[C@H](C(C)C)CC[C@@H]3[C@@]23C[C@@H]13 2356395789 WQESESDLEKDWLI-NMGKQLPNSA-N 362.554 5.222 0 1 FKAF COC(=O)C[C@H](C)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=C[C@H](OC)C[C@@H]21 2356397566 FBXQLGSYECWVHN-XUTWCVSWSA-N 350.543 5.390 0 1 FKAF CO[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C(=CC[C@@H]5C[C@H](O)CC[C@@H]54)C[C@H]3CC[C@@H]2C1 2356623253 SZAJWRKZJNIUSA-FOCVDSTJSA-N 358.566 5.351 0 1 FKAF C[C@H](c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)Nc1ccccc1S2 2382226069 HUCXFOZYVSLQRI-LBPRGKRZSA-N 372.320 7.353 0 1 FKAF Cn1cc(SCC(=O)Nc2c(Cl)cccc2Cl)c2ccccc21 2382260297 LIALHMADWLRDLQ-UHFFFAOYSA-N 365.285 5.216 0 1 FKAF CCCC/C=C/[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 5977936 JQFQHHGZEVGIFP-CVYRBCPQSA-N 369.508 6.571 0 3 FKAF COc1ccccc1[C@H](C(=O)c1ccccc1)c1ccc2ccccc2c1 95566722 VIVQDMQNTJEUOU-XMMPIXPASA-N 352.433 5.863 0 3 FKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(c3ccc(CO)cc3)=CCC[C@@]21C 1546097 FYPBHHLNEAUEEH-IAELRNJOSA-N 370.577 5.966 0 1 FKAF CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5[C@H](C[C@]4(C)[C@H]3CC[C@@]21C)C5(F)F 1866875 BRZLCOPFROJRBE-MSNNUKIHSA-N 366.492 5.452 0 1 FKAF biogenic CCC[C@@H](C)n1c(CC)nc2c(-c3ccc([C@H](C)O)cc3Cl)ccnc21 13479622 JXYKNBFFDJBIFG-KGLIPLIRSA-N 371.912 5.729 0 1 FKAF CCCC[C@H]1Cc2cc(OC)ccc2-c2cc3cc(OC)c(OC)cc3n21 13606353 WSGZGMGFBUIGOU-KRWDZBQOSA-N 365.473 5.622 0 1 FKAF CCCC[C@@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)OS(=O)(=O)O 26162265 CXTXIOKJMBPYTQ-CGBFIWBNSA-N 372.571 5.554 0 1 FKAF CC(/C=C/[C@H]1C[C@]1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C\C(=O)O 26279485 HMDVFKHLXNHBGR-UPALOKSPSA-N 366.545 6.209 0 1 FKAF CCCCCn1c(C)c(C(=O)Cc2ccc(Cl)cc2)c2ccccc21 28461033 ZFTOVDKPJSCPEE-UHFFFAOYSA-N 353.893 6.219 0 1 FKAF in-vivo Cc1ccccc1[C@@](O)(CCCN1[C@H](C)CCC[C@H]1C)c1ccccc1 29551105 CSEFBNLLZLOJNN-PQNGQFLHSA-N 351.534 5.274 0 1 FKAF CC[C@@H](Nc1noc(-c2c(-c3ccccc3)noc2C)n1)c1ccccc1 45191034 AHSLRIIXQCSHNS-QGZVFWFLSA-N 360.417 5.263 0 1 FKAF Cc1cc(=O)c(-c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)c(C)[nH]1 45202430 MUBAWUFCOPKSDN-UHFFFAOYSA-N 359.347 5.470 0 1 FKAF C[n+]1cccc2c1c1cc(Cl)ccc1n2CCCCCC1CCCCC1 71280540 ZLOZBZZDBXLAFW-UHFFFAOYSA-N 369.960 6.413 0 1 FKAF CCOc1ccc(-n2cnc3cc(CNc4ccc(CC)cc4)ccc32)cc1 95583577 MDVGYPJUHKGGPO-UHFFFAOYSA-N 371.484 5.599 0 1 FKAF Cc1c(Br)cc([C@]2(C)CC[C@@H]3C[C@@]32C)c(O)c1Br 140218340 RZKAMLNZFWGFSP-NKZPBKNFSA-N 374.116 5.303 0 1 FKAF COc1ncccc1-c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148051315 LEORVLZLCOYRDC-UHFFFAOYSA-N 370.412 5.083 0 1 FKAF Cc1ccc2ccccc2c1CNC[C@@H](O)c1ccc(Cl)c(Cl)c1 169330529 RBVCHSHAPMQVAC-HXUWFJFHSA-N 360.284 5.278 0 1 FKAF CN(CCCc1ccccc1)[C@H]1Cc2ccccc2[C@@H](c2ccccc2)C1 169364763 CTCJWIWEGWIVRG-AZGAKELHSA-N 355.525 5.698 0 1 FKAF CC(C)(C)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587016812 CJBQVEMPHNVALK-UHFFFAOYSA-N 368.893 5.699 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(F)c(F)cc4[nH]3)c21 587031057 NWJUKCKCTVJVTF-NSHDSACASA-N 369.440 5.800 0 1 FKAF N=c1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c[nH]1 587073173 FUULYCDHUVIIOK-ATVHPVEESA-N 374.875 5.197 0 1 FKAF Cc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1Cl 587081770 FNYSRLWCTXTYLP-UHFFFAOYSA-N 373.243 5.078 0 1 FKAF CC(C)C[C@H](CN(C)C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102864 AAZUZILFQWDMAP-MRXNPFEDSA-N 358.485 5.138 0 1 FKAF CCCCOc1cc2nc(C3(F)CCCCC3)[nH]c2cc1Br 587131572 OMXFEJSZITWUIW-UHFFFAOYSA-N 369.278 5.633 0 1 FKAF Fc1ccc2c(-c3nc4cc(Br)cc(Cl)c4[nH]3)coc2c1 587174267 ILNFRQRJSITDRL-UHFFFAOYSA-N 365.589 5.531 0 1 FKAF c1ccc2c(c1)CCc1cc3c(cc1-2)-c1nc2cccc4c2c(c1CC3)CC4 587215455 OQCXUANNMQDYEW-UHFFFAOYSA-N 359.472 5.865 0 1 FKAF O=C1C[C@H](c2cccc(-c3ccccc3F)c2)Oc2c1ccc1c2CCCC1 587500818 DFCSBBMBYWRPAG-XMMPIXPASA-N 372.439 6.078 0 1 FKAF O=C1C[C@@H](c2ccc(-c3cccs3)s2)Oc2c1ccc1c2CCCC1 587532216 ORVKUSNVUIWGEW-KRWDZBQOSA-N 366.507 6.062 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2C1CCCC1 587603613 OCHYSQHQFFBYNX-MONBJTKQSA-N 364.441 5.083 0 1 FKAF C[C@@H](Cc1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820388 PEWDVAQEAUVGIU-QUJCMNEKSA-N 362.286 5.042 0 1 FKAF Fc1ccc(F)c(-c2csc(COc3cccc(C(F)(F)F)c3)n2)c1 587921634 MUYNNTHJDSUYJS-UHFFFAOYSA-N 371.330 5.686 0 1 FKAF Oc1ccccc1-c1cc(-c2ccsc2)cc(-c2ccccc2Cl)n1 653731189 BKRNUZHCHUPUPG-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF Cn1cccc1CN1CCc2sccc2[C@]12C=C(c1ccccc1)CCC2 962398991 OWAIRDXOIWQIBK-DEOSSOPVSA-N 374.553 5.608 0 1 FKAF c1ccc(-c2ccc3c(c2)CCN[C@H]3c2cnc(-c3ccncc3)s2)cc1 962671165 WRRKURGCTCLRON-JOCHJYFZSA-N 369.493 5.107 0 1 FKAF CCCc1cc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 1772571148 BDTRZXXBQVEPAR-UHFFFAOYSA-N 369.464 6.007 0 1 FKAF C[C@@H](O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 1857635495 LAZXVJADKYEIND-BNXBBKCNSA-N 354.534 5.416 0 1 FKAF COc1cccc([C@H]2Oc3ccc(F)cc3[C@@H]2c2ccc(F)c(F)c2)c1 1857748065 OGHWHJKXKKYJGE-LEWJYISDSA-N 356.343 5.378 0 1 FKAF Cc1cccc2nc(-c3cccc(NC(=O)CCc4ccccc4)c3)[nH]c12 1911574789 KVJYLEWGECVXJA-UHFFFAOYSA-N 355.441 5.110 0 1 FKAF CC[P@@](=O)(OC)c1cccc2oc(-c3ccc4ccccc4c3)nc12 1911586034 LUFCKYJUTLQOMM-RUZDIDTESA-N 351.342 5.218 0 1 FKAF CCCCCC=CC=C[C@@H](O)CC=CCC=CCC=CCCCCC(=O)O 2356421820 WCPFNHAOKQUJEV-HSZRJFAPSA-N 374.565 6.524 0 1 FKAF CC(=CCc1c(O)c(C)cc(C=O)c1O)CC[C@]1(C)CC[C@H](C)C(=O)[C@H]1C 2356702560 JTWHVIZCDKVJLU-XSSDXNQZSA-N 372.505 5.129 0 1 FKAF O=C(Nc1ccc(F)c(Cl)c1)c1cc2c(=O)oc3ccccc3c2s1 2494667 KVTZBHSHZOYIHK-UHFFFAOYSA-N 373.792 5.053 0 1 FKAF Oc1ccc([C@H](CCNCCc2c[nH]c3ccccc23)c2ccccc2)cc1 5666019 GIWCSJINSKKUTM-HSZRJFAPSA-N 370.496 5.228 0 1 FKAF CS(=O)(=O)c1ccc(-c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc1 13477377 HCIXODIQXMVZAX-UHFFFAOYSA-N 365.429 5.045 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 13765595 MTNZVBITSPXYGO-WOJBJXKFSA-N 370.577 7.251 0 1 FKAF OCCCCCCCCCCCCCCCCCCCCCCCCO 14722095 SPUHPCYLASTIGZ-UHFFFAOYSA-N 370.662 7.553 0 1 FKAF endogenous,in-man CCOc1cc2ncnc(Nc3ccc(C)c(Cl)c3)c2cc1OCC 26182250 FOEQDSSJAGELES-UHFFFAOYSA-N 357.841 5.133 0 1 FKAF CCSCCCC[C@@H](c1ccc(O)cc1)[C@](C)(CC)c1ccc(O)cc1 29330661 JCDRAYIOBFSNHU-XZOQPEGZSA-N 372.574 6.473 0 1 FKAF CN1Cc2sc(C(C)(C)C)cc2[C@@H](c2ccc(Br)cc2)C1 38157546 CPTJMPYUXHOOFQ-OAHLLOKOSA-N 364.352 5.385 0 1 FKAF CCCCn1c2cc(OCCCc3ccccc3)ccc2c2ccnc(C)c21 95595885 FWCJAYKBKGZZHP-UHFFFAOYSA-N 372.512 6.310 0 1 FKAF CC(C)(C)c1ccc(-c2cc3c4c(nccc4n2)-c2ccccc2C3=O)cc1 96934772 IDRXUAQYPBSALJ-UHFFFAOYSA-N 364.448 5.806 0 1 FKAF Clc1ccc([C@H](Nc2ccccc2)c2ccc(-c3cn[nH]c3)cc2)cc1 103265793 WGHGUSSNGGFNEI-JOCHJYFZSA-N 359.860 5.932 0 1 FKAF O[C@]1(C(F)(F)F)c2ccccc2-c2c(Cl)cc(-c3ccccc3)cc21 144421082 SOKWTDDLIHQEAB-LJQANCHMSA-N 360.762 5.786 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCCCC 169372983 LLSIFHDREVFSBI-PPDQLEQOSA-N 373.625 7.439 0 1 FKAF COc1ccc([C@H]2C=C(c3ccccc3)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1 169723767 CEPMTRVPSYXKEX-AUSIDOKSSA-N 359.469 5.280 0 1 FKAF COc1ccc(-c2oc3cc(OC)ccc3c2-c2ccc(OC)cc2)cc1 196315946 ADOFMEKUHCTFPO-UHFFFAOYSA-N 360.409 5.793 0 1 FKAF CC(C)/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 255218890 HWRYKNYRSRPFPM-ILTCKBSZSA-N 372.637 6.855 0 1 FKAF CN(C(=N)Nc1cccc2ccccc12)c1cccc(Cc2ccccc2)c1 299821211 BTSZTTSTMLKKPO-UHFFFAOYSA-N 365.480 5.914 0 1 FKAF FC(F)(F)c1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Cl 586885471 VBSHEMWWXMUCDS-NOTQWWDFSA-N 354.803 5.703 0 1 FKAF Cc1ccc(CSCCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 586970101 GAFVBSGZRCHBGA-UHFFFAOYSA-N 352.290 5.049 0 1 FKAF Cc1ccc(O)c(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)c1 586991307 MOMLCBUQFMMGIE-UHFFFAOYSA-N 367.404 5.141 0 1 FKAF O=C1c2ccccc2-c2cc(Cc3cccc(Cl)c3)nc3cccc1c23 587104108 NXESFLLLLJFFKB-UHFFFAOYSA-N 355.824 5.690 0 1 FKAF CCCCCCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587366748 ZGMQUTVQCYFSOS-UHFFFAOYSA-N 359.469 6.779 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(-c3cccs3)c1)O2 587382420 RCSMJQPJRDDRGD-GOSISDBHSA-N 353.418 5.151 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccccc1C)O2 587400566 QYHNGAFNIAIEEK-QHCPKHFHSA-N 373.452 5.171 0 1 FKAF Cc1ccc(-c2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587404220 CPEOGGNUYBPVDS-DEOSSOPVSA-N 357.453 5.433 0 1 FKAF Cc1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587405244 KBKDMLXJLLDCRX-DEOSSOPVSA-N 357.453 5.103 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)[nH]c3ccccc13)CC2=O 587459005 CCENFRPMOXWPMZ-QGZVFWFLSA-N 355.821 5.186 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccccc3)nc2)Oc2c1ccc1c2CCCC1 587515999 SSNVBLWTXUBQES-HSZRJFAPSA-N 355.437 5.334 0 1 FKAF Cc1cccc([C@@]2(c3ccccn3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587516292 VKYAZJBAQBBSQD-RUZDIDTESA-N 369.464 5.178 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3cccc(C(C)(C)C)c3[nH]2)cc1 587564581 LPFQZIZYWHIPMX-UHFFFAOYSA-N 350.506 6.127 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccc(O)cc3)[nH]c12 587624655 QRFOZRAXQDQGPU-UHFFFAOYSA-N 353.727 5.247 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)c(C)c3)c(C(=O)C(F)F)c2c1 587643247 SZXHRLOWMYQXNO-GFCCVEGCSA-N 355.428 6.413 0 1 FKAF CC(C)=C1CC[C@H](C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587817130 IVWQCKDYWOTSQZ-XEKQOVJPSA-N 366.318 5.474 0 1 FKAF CC(C)C[C@@H]1CC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587818373 RBIZMDMKFDCDDB-ZJNRKIDTSA-N 354.307 5.164 0 1 FKAF Cc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587818495 IAXOSXAJEBAUKS-BFUOFWGJSA-N 362.286 5.137 0 1 FKAF CC[C@H](c1ccccc1)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821576 VWOPAACPGJEQOI-IOHHAYIISA-N 362.286 5.357 0 1 FKAF COc1cccc(C(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)c1 587933279 XLGOVSRWZILKFY-UHFFFAOYSA-N 362.816 5.123 0 1 FKAF CC1(C)Cc2occc2[C@]2(C1)c1ccsc1CCN2Cc1cccnc1 962999485 YIJDDNRPWWWFMB-JOCHJYFZSA-N 364.514 5.010 0 1 FKAF Cc1sc2c(c1C)CCN[C@@H]2c1cc(F)ccc1OCc1ccccc1 963016034 XFGQGHAXKXFNNE-OAQYLSRUSA-N 367.489 5.318 0 1 FKAF COc1ccc(Cl)c2c1CCN[C@]2(CC(C)(C)C)c1ccc(C)c(C)c1 963256763 DSZKOWFOPRJVMQ-HSZRJFAPSA-N 371.952 5.791 0 1 FKAF CCC(CC)Nc1cc(C)nc2c(-c3ccc(C)cc3Cl)c(C)nn12 1772582147 QXIXFMIPQIRYOC-UHFFFAOYSA-N 356.901 5.575 0 1 FKAF N=C1Nc2c(sc3ccc(Cl)cc23)[C@H](c2ccc3ccccc3c2)N1 1857568324 WGJNNLULZSUERS-KRWDZBQOSA-N 363.873 5.747 0 1 FKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@H](C(C)=O)[C@]4(C)CC[C@@H]32)C1 2356615760 JUAATDNYHZEPLN-KJFLTHLTSA-N 358.522 5.086 0 1 FKAF O=C(Nc1cccc(Cl)c1)c1ccccc1NC(=O)C1CCCCC1 199853705 CWZZSRWZIBKKOY-UHFFFAOYSA-N 356.853 5.111 0 3 FKAF Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccccc2)cc1 13442507 HFVZEWHYOCNZGL-UHFFFAOYSA-N 364.449 5.154 0 1 FKAF Cc1c(Cc2c(Cl)cccc2Cl)nc(SC2CCCC2)[nH]c1=O 13556533 HQXKRQSPZSVZPT-UHFFFAOYSA-N 369.317 5.011 0 1 FKAF CCCOc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OCCC 13584607 GSOPTOPTGMYIOB-UHFFFAOYSA-N 368.429 5.046 0 1 FKAF N=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1ccc(Cl)cc1 13781351 IULSXRJQCDYYRM-UHFFFAOYSA-N 358.832 5.388 0 1 FKAF CCCC(=O)N1CCc2ccccc2Oc2c(Cl)cc(Cl)cc21 26399300 BSLOMKUASXBGCY-UHFFFAOYSA-N 350.245 5.475 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(OC)cc1 28758088 ZZFYDWVNYOTOOO-UHFFFAOYSA-N 369.549 6.229 0 1 FKAF CCCC[C@H]1C[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]2(C)[C@H]1O 28872164 WJBKGRUNPGQDCH-IZKXGTPSSA-N 358.522 5.034 0 1 FKAF CCOP(=O)(Cc1ccc(-c2nc3ccccc3s2)nc1)OCC 29328546 QQCQOJCPSZZXAY-UHFFFAOYSA-N 362.391 5.124 0 1 FKAF Cc1c2c(c(C[C@@H](C)CC(C)(C)C)c3c1C(=O)OC3)Oc1ccccc1O2 35090769 YTZGGOROVWKIPY-CYBMUJFWSA-N 366.457 6.178 0 1 FKAF c1ccc(CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 40393027 OAXCPLZZOKAGQG-UHFFFAOYSA-N 371.524 5.500 0 1 FKAF Cc1ccc(-c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1 40975099 VSOALMLGFARZIA-UHFFFAOYSA-N 354.453 5.116 0 1 FKAF Cc1[nH]c(C)c(C2CCC(c3ccc(Cl)cc3)CC2)c(=O)c1Cl 40979316 KAXKBGORPSMNKI-UHFFFAOYSA-N 350.289 5.740 0 1 FKAF Cc1c2c(c3cc(Cc4ccc(Cl)cc4)oc3c1C)CCC(C)(C)O2 43059803 NLBXUOXXUKQCQQ-UHFFFAOYSA-N 354.877 6.397 0 1 FKAF O=c1c(OCc2ccc(Cl)nc2)c(-c2ccccc2)oc2ccccc12 53243896 ACEALYHREXDVNY-UHFFFAOYSA-N 363.800 5.087 0 1 FKAF CC/C(=C\C=C\C=C\C=C\c1[nH]ccc1Cl)c1cc(OC)c(C)c(=O)o1 64512714 AYMLQLBNMFNRCM-ZBGTWWAWSA-N 371.864 5.558 0 1 FKAF CCCC[C@H](CC)CNc1cc(-c2ccc3ncsc3c2)nc(C)n1 142119384 UTENKYGPOONNJU-HNNXBMFYSA-N 354.523 5.690 0 1 FKAF CSCC(C)(C)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586969678 VOIAHJRERRUSDS-UHFFFAOYSA-N 353.516 5.480 0 1 FKAF Cc1c(-c2ccc(Cl)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587103130 DHQKRYVCMHQRLK-UHFFFAOYSA-N 355.824 6.075 0 1 FKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1 587150853 UAEOKLYAWJMGCY-HNNXBMFYSA-N 370.790 5.091 0 1 FKAF CC(C)CC(=O)Cc1nc2cccc3c2c(c1C(C)C)-c1ccccc1C3=O 587206833 OVRNFJNDMBUSKP-UHFFFAOYSA-N 371.480 5.727 0 1 FKAF CCCCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587398033 ABIWEQNRPPNBCG-OAQYLSRUSA-N 353.462 5.243 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(SC)c(F)c1)CC2=O 587466174 KEXWZFIYTGKFFM-HXUWFJFHSA-N 360.450 5.086 0 1 FKAF CCc1ccc(OC)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524840 NBMKUKFSLIKIGW-HSZRJFAPSA-N 350.458 5.017 0 1 FKAF CC[C@@H](C)Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525281 UKEDATLKRDLKCI-IVZQSRNASA-N 350.458 5.449 0 1 FKAF C[C@H](C1CCCCC1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598937 CLSRNHXSEBBMHQ-XLHILCRZSA-N 366.457 5.329 0 1 FKAF CC[C@]1(Cc2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603830 RUWVLWVFPNWCSH-ZJSXRUAMSA-N 374.436 5.054 0 1 FKAF CCCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 587629870 LSUCSHBKFCSNSU-UHFFFAOYSA-N 371.761 6.479 0 1 FKAF CCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587811011 FPPVLXWENITMFY-YJYMSZOUSA-N 362.286 5.166 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 587937897 RAHTWJCLKPKTIS-OAQYLSRUSA-N 371.484 5.444 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587956182 YYZICSJHBFURNY-UHFFFAOYSA-N 354.453 5.428 0 1 FKAF CC[C@@]1(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)CC(=O)c2ccccc2C1 587959960 JIXYPTNYBUBWJK-FQEVSTJZSA-N 373.283 5.638 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)[C@H]1C[C@@H]1c1ccccc1Cl 963242497 QEDFAYTUFTXCPD-GLBGETKPSA-N 353.937 6.016 0 1 FKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@]3(OC)CC[C@]21C)C(C)C 2356397521 OHBIKPTYAYDBKX-VIIJJNEOSA-N 362.554 5.737 0 1 FKAF CCC=CCC=C[C@@H]1C=CCC=CCCCCCCc2cc(O)c1c(=O)o2 2356753405 UIBPNLCWECAQGD-HXUWFJFHSA-N 368.517 6.351 0 1 FKAF CC(C)CCCCCCC[C@H](O)CC(=O)N1CC=CC[C@@H]1c1cccnc1 2356821738 GEFWLZQQJKNTLU-FCHUYYIVSA-N 372.553 5.049 0 1 FKAF Cc1ccc(-c2nc3ccc(Cl)cn3c2Cc2cccc(F)c2)cc1 95570573 WUDPDCAOLHWKHC-UHFFFAOYSA-N 350.824 5.693 0 3 FKAF O=C(Nc1ccccc1)N(Cc1c[nH]c2ccccc12)C1CCCCCC1 4990642 JJLHHLSBPSHRFX-UHFFFAOYSA-N 361.489 5.925 0 1 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(F)c1)Oc1ccccc1-3 13777097 NVMMRAHFZTXRQY-DEOSSOPVSA-N 371.455 6.582 0 1 FKAF Cc1ccc(/C=C/C2=C[C@@]3(C)C[C@]2(C)[C@@H](c2ccc(C)cc2)CC3=O)cc1 13783093 VNDABGLWEBDVEO-FQAXRPEISA-N 356.509 6.416 0 1 FKAF CCOC(=O)c1ccc(OCCCCC(=O)c2ccc(Cl)s2)cc1 27648714 AURWKRABGYYBMY-UHFFFAOYSA-N 366.866 5.010 0 1 FKAF Cc1csc[n+]1CCCCCCCCCCCC[n+]1cscc1C 28475251 RQNZFLVEWMOKQR-UHFFFAOYSA-N 366.640 5.603 0 1 FKAF COc1ccc(-n2cc(-c3ccc(Cl)cc3)[nH]c2=S)cc1Cl 29038197 SPLZBLLZYMAVHF-UHFFFAOYSA-N 351.258 5.517 0 1 FKAF CCN(CC)Cc1ccc([C@H](c2cccc(Cl)c2)n2ccnc2)cc1 29135507 UGTZYHNXVXRHPS-OAQYLSRUSA-N 353.897 5.016 0 1 FKAF Cc1ccc(C)c2oc(-c3ccc(-c4ccc(C(=O)O)cc4Cl)[nH]3)cc12 29465181 ZHAOUNSWKQMZRD-UHFFFAOYSA-N 365.816 6.063 0 1 FKAF CC(C)c1cccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)c1 72107603 IPYFQOFBEXGHTQ-XMMPIXPASA-N 351.534 6.139 0 1 FKAF Fc1ccc2[nH]c(-c3ccc(Cl)cc3)c(Oc3ccc(Cl)cc3)c2c1 72176275 RHLDCCRNUHSIHM-UHFFFAOYSA-N 372.226 7.073 0 1 FKAF CCc1nc(NC(CC)CC)c(Cl)nc1-c1ccc(Cl)cc1Cl 72176742 IBOACTYGAOPPJN-UHFFFAOYSA-N 372.727 6.267 0 1 FKAF CN(C)CCOc1ccc(/C(=C(/F)c2ccccc2)c2ccccc2)cc1 95591367 VQMNFQJYJWCJBN-WCWDXBQESA-N 361.460 5.513 0 1 FKAF CCOP(=O)(C[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@@H]2C(C)(C)CCC[C@]13C)OCC 101128710 HKYADLMJLPBMTK-ZJNNMKFESA-N 372.486 5.102 0 1 FKAF Cc1cc(N)c2cc(NC(=O)Nc3ccc(-c4ccccc4)cc3)ccc2n1 103236346 DESXZWFECCAMDZ-UHFFFAOYSA-N 368.440 5.436 0 1 FKAF CC1(C)CC2=Nc3ccccc3N[C@H](c3cc(F)ccc3F)C2=C(O)C1 104106662 UWRKZPQJNRODMT-HXUWFJFHSA-N 354.400 5.836 0 1 FKAF Clc1ccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)cc1Cl 114336182 DMPFVMAOEFGDNT-MRXNPFEDSA-N 372.299 5.228 0 1 FKAF CC(C)=CCC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC=C(C)[C@@H]2CC/C(C)=C/C(=O)O 136486311 WZOUGXJIBZOMTP-CTXZGABSSA-N 372.593 7.323 0 1 FKAF CCn1c2ccccc2c2cc(C(=O)N3CCCc4ccccc43)ccc21 205440997 FCYOAJHMZOQTGU-UHFFFAOYSA-N 354.453 5.407 0 1 FKAF CCC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C 238745798 PLFOYKFPFYCBNQ-ZEFLZXIKSA-N 372.681 8.642 0 1 FKAF CC/C=C/CCSC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253639138 YDJGESKTURUXSO-XZEGJFKKSA-N 352.540 5.071 0 1 FKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 586891278 PODAPFSLALBBMZ-OPAMFIHVSA-N 358.441 5.501 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CCCC[C@H]1C3 586989874 GNWVAKPUBPYZRI-KBPBESRZSA-N 355.437 5.057 0 1 FKAF FC(F)(F)c1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Cl 587036516 DHXFMWBUNNSYQS-ZDUSSCGKSA-N 372.799 5.153 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587075347 BTVCLGIBDHTQPU-UHFFFAOYSA-N 361.876 6.243 0 1 FKAF Cc1ccc2c3c(cc(/C=C/C4CCCCC4)nc13)-c1ccccc1C2=O 587099939 YLPOJIZCCHUHQW-OUKQBFOZSA-N 353.465 6.348 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(F)c(F)c1C3 587104626 SHWGVMFRCZHWID-UHFFFAOYSA-N 355.343 5.296 0 1 FKAF Fc1cc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1-c1ccccc1 587145951 WOSRVZNMNAHMCO-UHFFFAOYSA-N 374.312 5.516 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587160883 HSHJZRWCCFVJEK-CHWSQXEVSA-N 352.356 5.585 0 1 FKAF Cc1c(F)ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c12 587162790 JIXRJEWLGBBHMD-UHFFFAOYSA-N 363.367 5.069 0 1 FKAF CC(C)[C@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197821 PLLNCPMTIDPINF-CQSZACIVSA-N 373.831 5.059 0 1 FKAF CCCC/C=C\c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364984 HHLXPHUKDMOBQD-WDZFZDKYSA-N 357.453 6.860 0 1 FKAF COc1cccc(-c2cc(-c3cncs3)nc3c2oc2ccccc23)c1 587366649 OIJVLMINGFWRSE-UHFFFAOYSA-N 358.422 5.780 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C2CC2)C3)c1 587366990 PGXVMCSPFJIQRM-MRXNPFEDSA-N 355.437 5.781 0 1 FKAF COC(=O)CCCCCCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521995 DLQBIEAGMMDMMF-SFHVURJKSA-N 372.505 5.193 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1ccc(Cl)cc1Cl 587628136 IUVGODDZIRAXHF-UHFFFAOYSA-N 371.626 5.828 0 1 FKAF COc1cccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)c1 587629142 WBZPVSPBWSXLTC-UHFFFAOYSA-N 371.717 5.381 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)c3ccc(C(F)(F)F)cc3)c2c1 587643757 WJVVDPJMZNMMJS-GFCCVEGCSA-N 359.391 6.240 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2C(C)(C)C)N1 587824829 ZAZWEGCZJBKPEK-LWLIDHTLSA-N 368.334 5.554 0 1 FKAF c1ccc(-c2cccc3c2[C@@H](c2cncc(-c4cccs4)c2)NCC3)cc1 962659366 GHLAGTHEXANEFX-XMMPIXPASA-N 368.505 5.712 0 1 FKAF Cc1[nH]c2ccccc2c1[C@@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962719045 VELSBRFIVBQPKB-QRQCRPRQSA-N 366.505 5.068 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)([C@H](C)Oc2ccc(F)cc2F)N1 962957199 NXMSREDFCKKVSO-ZIACGZRISA-N 370.443 5.053 0 1 FKAF Fc1cccc2c1[C@@H](c1ccc(C(F)(F)F)c(Cl)c1)N1CCC[C@H]1C2 963106785 NKBHIIYTXWSBCC-SCLBCKFNSA-N 369.789 5.608 0 1 FKAF CC(C)CC[C@H](C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1 1911577397 ITLDHWINGMGTMS-QFIPXVFZSA-N 353.506 5.030 0 1 FKAF CC(=CCC[C@H](C)[C@@]1(O)CCC(C)=CCC=C(C)CCC=C(C)CC1)CO 2356479947 JWZHMTWWNSZMAZ-LOSJGSFVSA-N 374.609 6.656 0 1 FKAF CC(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC(C)=CC(=O)O)[C@H]2CCC=C(C)[C@@]12C 2356555517 YAIZAZKACAHJDU-IHXMQYCKSA-N 362.510 5.138 0 1 FKAF CO[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C(=CC[C@@H]5C[C@H](OC)CC[C@H]54)C[C@@H]3CC[C@@H]2C1 2356745728 SRLQTLATHMPQSG-HFVXLJINSA-N 372.593 6.005 0 1 FKAF CCCC[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](c2ccc3ccccc3c2)O1 72133470 BRWDSDGKSUQEQC-WIYYLYMNSA-N 366.457 5.424 0 3 FKAF O=C(O)c1cc2ccc(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1 13588887 CFZWZOOHTJWCPX-UHFFFAOYSA-N 354.620 5.348 0 1 FKAF O=c1oc(-c2ccccc2)cc(O)c1[C@@H](CC1CC1)SC1CCCCC1 13740582 PCJNLLQDVKADGI-HXUWFJFHSA-N 370.514 5.920 0 1 FKAF CC(C)(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 13795647 OANJUTXTFBBMAY-UHFFFAOYSA-N 366.464 5.567 0 1 FKAF Cc1c(C)n([C@H](C)c2ccccc2)c2nc([C@H](C)c3ccccc3)nc(N)c12 13835494 OTJNDUNRBBFAMX-SJLPKXTDSA-N 370.500 5.391 0 1 FKAF CC(C)(C)c1ccc(-c2cc(Nc3ccc4cccnc4c3)ncn2)cc1 14974056 OSNBQAGGOQNXAP-UHFFFAOYSA-N 354.457 5.733 0 1 FKAF Cc1cc(C)cc(-n2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2C)c1 26672062 MQJPRNOTVNJSAG-UHFFFAOYSA-N 373.378 5.069 0 1 FKAF COc1cc(Sc2c(C)[nH]c3ccc(Cl)cc23)cc(OC)c1OC 28651301 WUCWWFFFUFFUDT-UHFFFAOYSA-N 363.866 5.307 0 1 FKAF CCCCCOC(=O)[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)cc1 28757441 CVFZEEPNRYAKLM-NHCUHLMSSA-N 356.462 5.109 0 1 FKAF Fc1ccc(Nc2nnc(COc3ccc(-c4ccccc4)cc3)o2)cc1 40862259 MKYGCNUUWOMBHW-UHFFFAOYSA-N 361.376 5.198 0 1 FKAF CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccco1)c1ccc(C(F)(F)F)cc1 96901333 JQXRRZACGMULIL-KYJSFNMBSA-N 365.395 5.596 0 1 FKAF CC/C=C\C/C=C\C/C=C\CCCCCCCCCCOC(=O)C(C)C 169622407 FRYDRWKXCKGLSO-AGRJPVHOSA-N 362.598 7.555 0 1 FKAF Cc1nc2sc3c(NCc4ccc(F)cc4)nn(C)c3c2c(C)c1Cl 206946952 NLPSMTDJQAEISO-UHFFFAOYSA-N 374.872 5.204 0 1 FKAF O=C(O)c1ccccc1/C=C/c1nc2ccc(SC(F)(F)F)cc2[nH]1 586881344 WSHSOXTUUBPZKJ-VMPITWQZSA-N 364.348 5.043 0 1 FKAF Cc1cc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1Br 586977094 NGGBOHHLDCZUOB-UHFFFAOYSA-N 370.077 5.531 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc4[nH]ccc4c3)nc3ccc(O)c1c23 586989464 JTDXDHWFVYMRTN-UHFFFAOYSA-N 362.388 5.300 0 1 FKAF Cc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1Cl 587075662 KNIHISPHTMQTLT-UHFFFAOYSA-N 357.244 5.339 0 1 FKAF O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1 587084530 OPYCOUSPUMKDEN-UHFFFAOYSA-N 368.223 5.163 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H]([C@@H]1CCOC1)CCC4)-c1ccccc1C2=O 587102320 VQXLBCHOPODEFD-CVEARBPZSA-N 369.464 5.211 0 1 FKAF O=C1c2ccccc2-c2cc(COCc3ccccc3)nc3cccc1c23 587105811 FIKBKXZNDSXQGD-UHFFFAOYSA-N 351.405 5.163 0 1 FKAF CCCC[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358932 YXHIWGXNPZYESA-IRLDBZIGSA-N 356.437 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1C(C)C)O2 587378548 VGAIDNMVKIEALN-SFHVURJKSA-N 374.278 5.170 0 1 FKAF CC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444653 FNQOTAIZJSOCKT-PXDATVDWSA-N 370.448 5.415 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4C)cc1)[C@@H](C2)C3=O 587446016 RKOLHVGWDJPHLP-RDPSFJRHSA-N 356.421 5.159 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C(C)(C)C)c1)CC2=O 587479413 DHMSLGDFGRVDNN-QHCPKHFHSA-N 352.474 5.523 0 1 FKAF CC(C)CC[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600264 NMGQYGPFWBAFLQ-AUSIDOKSSA-N 368.473 5.575 0 1 FKAF CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2c(C)cc(Cl)cc12 587624025 WHNCVYDNMGGQGY-UHFFFAOYSA-N 362.256 5.551 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](C)c2ccccc2)N1 587812624 JVYCRPRQJXWGNA-VLXJIEOASA-N 362.286 5.141 0 1 FKAF CCC[C@@H]1CC(C)=C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587820247 ZHZKBTVBDFUOBL-PJIJBLCYSA-N 366.318 5.474 0 1 FKAF c1ccc(-c2cccc3c2[C@@H](c2cccc(-c4nccs4)c2)NCC3)cc1 962657920 DMXANVRTRVSUTM-HSZRJFAPSA-N 368.505 5.712 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccsc1Br 963225711 FVIDEWIISOARCZ-LRDDRELGSA-N 350.325 5.257 0 1 FKAF Cc1nc(-c2ccccc2)oc1-c1csc(Cc2ccc(F)cc2)n1 1772622796 XYPQBXILBOTZTA-UHFFFAOYSA-N 350.418 5.503 0 1 FKAF COC1=CC(c2ccccc2)=NC1=CC=C1N(C)c2ccccc2C1(C)C 1857604831 VWWCYIBAIIPGBE-UHFFFAOYSA-N 356.469 5.215 0 1 FKAF CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2c1cc(O)c1ccccc12 1857648406 KKRODPNBROPMKY-UHFFFAOYSA-N 365.816 5.524 0 1 FKAF CC1(C)CCC[C@@H](C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)C1 1857648927 CJZHRQIAVOLYKV-SNVBAGLBSA-N 356.413 5.470 0 1 FKAF COc1cc2c(cc1C(C)C)C(=O)C[C@@H]1C(C)(C)C[C@@H](OC(C)=O)C[C@]21C 2356453495 ABEYRUZXTWMTSC-YCASGBEESA-N 372.505 5.031 0 1 FKAF Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(N)=O 2382235690 CLDBVOKEECSAII-UHFFFAOYSA-N 374.390 5.254 0 1 FKAF CCCc1c(-c2ccc(O)cc2)nn(C2CCCC2)c1-c1ccc(O)cc1 13587038 JRLRCNQAXZOMNM-UHFFFAOYSA-N 362.473 5.696 0 1 FKAF Fc1cccc(CSC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1 43024298 RCJWGNZTUJJKRY-OYRHEFFESA-N 362.473 5.501 0 1 FKAF C[C@H](c1ccccc1)N1CCC2(CC1)O[C@H](CCCF)c1ccccc12 45283518 ZAXUCBNRIKRZHS-XMSQKQJNSA-N 353.481 5.560 0 1 FKAF Cc1ccc(-c2ccc3nccc(Nc4cc(Cl)ccc4O)c3c2)cc1 58520070 PXNPRPSSJLMRRN-UHFFFAOYSA-N 360.844 6.313 0 1 FKAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 66112348 YEJNIBFGDXBKPG-SNEYCHJSSA-N 352.562 6.713 0 1 FKAF in-vitro COc1cc([C@@H]2C3=C(O)CCCC3=Nc3ccc4ncccc4c32)ccc1O 101691932 VXWGDPJHAFSNPG-NRFANRHFSA-N 372.424 5.163 0 1 FKAF CCCCCn1cc2c(=O)n(CC3CCCCC3)nc-2c2ccccc21 299867831 YVDKLCHAUFGVMV-UHFFFAOYSA-N 351.494 5.073 0 1 FKAF CCc1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1CC 586879723 PZXXNPCHMWHLIT-UHFFFAOYSA-N 356.469 5.934 0 1 FKAF Oc1cccc(CCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 586896292 AEDUKHICLTWQFX-UHFFFAOYSA-N 374.284 5.091 0 1 FKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3ccoc3C3CC3)nc2c1 586901833 ORCRYKCTANIGOL-UHFFFAOYSA-N 360.257 5.738 0 1 FKAF Oc1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 587015362 NCLRJTJKPFALPT-UHFFFAOYSA-N 362.241 5.366 0 1 FKAF Cc1cc(Cl)cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587077184 SPGLSDVBAMJVER-UHFFFAOYSA-N 370.239 5.613 0 1 FKAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)n1 587080815 YNYSUQOVHMVXJX-ZDUSSCGKSA-N 366.852 5.843 0 1 FKAF CCC[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358417 XVKBWXIDSMRYCS-UNMCSNQZSA-N 356.437 5.475 0 1 FKAF COc1cccc(-c2cc(Cc3cnccn3)nc3c2oc2ccccc23)c1 587363432 NGNMUKNMQSEOHG-UHFFFAOYSA-N 367.408 5.037 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(Cl)c1Cl)CC2=O 587459967 JJPRKOIZSYLXAH-OAHLLOKOSA-N 367.228 5.064 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)c(Cl)c1)CC2=O 587462606 PJOHNFQLFHUGOF-QGZVFWFLSA-N 351.229 5.358 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1sc3ccccc3c1C)CC2=O 587493806 GRGSUSWIAHOTMK-QFIPXVFZSA-N 366.482 5.748 0 1 FKAF O=C1C[C@H](c2cc(Cl)c(O)c(Cl)c2)Oc2c1ccc1c2CCCC1 587496071 BLNGPAUGRHSBBN-QGZVFWFLSA-N 363.240 5.284 0 1 FKAF CC(C)(C)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521589 INWODONZJWKDIG-OAQYLSRUSA-N 350.458 5.449 0 1 FKAF Cc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587527367 UHVHYHLKSAPBOD-VWLOTQADSA-N 368.476 6.247 0 1 FKAF Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl 587540586 BBNXDUFZLIIREZ-DYESRHJHSA-N 366.800 5.057 0 1 FKAF COc1ccc(C)cc1C(=O)CCc1nc2cc(Cl)cc(Cl)c2[nH]1 587785640 AIBBJMKFYMXFHQ-UHFFFAOYSA-N 363.244 5.002 0 1 FKAF FC(F)(F)Sc1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587967552 IBVHYPCREJEKIJ-DHZHZOJOSA-N 370.399 6.498 0 1 FKAF Cc1cc2c(cc1F)[C@]1(C=C3C(C)(C)[C@H]4CC[C@@]3(C4)C(C)(C)C1)NCC2 962370719 DOCWEGHJPLPPDA-YRUKQIKQSA-N 353.525 5.658 0 1 FKAF CCCN1[C@@H](c2ccc(SCC(C)C)cc2)c2ccccc2C[C@H]1C 963228648 MHYHEFXRWPRZOR-JPYJTQIMSA-N 353.575 6.181 0 1 FKAF Cc1cc(CCC(=O)O)ccc1OCc1ccccc1SC(F)(F)F 1772598539 MIVPJMLTMUJBEZ-UHFFFAOYSA-N 370.392 5.203 0 1 FKAF CCc1ccc(NCc2cscc2CNc2ccc(CC)cc2)cc1 1857539943 JYXJCSCPBCKOIQ-UHFFFAOYSA-N 350.531 6.097 0 1 FKAF COc1cccc([C@@H]2Oc3cc(OC)ccc3[C@@H]2c2ccc(F)c(F)c2)c1 1857749796 YDPAEXNXOLTAEC-VXKWHMMOSA-N 368.379 5.248 0 1 FKAF Nc1c(-c2nc3ccccc3o2)sc(=S)n1-c1ccc(Cl)cc1 1663300 MZTLBUMMRXORCS-UHFFFAOYSA-N 359.863 5.312 0 1 FKAF CCCCCC/N=c1\ccn(Cc2ccccc2)c2cc(Cl)ccc12 13741396 WIXOVCHGCCZODL-DARPEHSRSA-N 352.909 5.824 0 1 FKAF C[C@@]12CCc3c(ccc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CCC2=O 14451020 VVFAWJYXSMMTEE-WIOPSUGQSA-N 370.448 5.458 0 1 FKAF biogenic CCCCCCc1oncc1C(=S)Nc1ccc(C(F)(F)F)cc1 26287461 OYYTWZLQBVEXHQ-UHFFFAOYSA-N 356.413 5.604 0 1 FKAF CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1 29124532 BTHPTUSWFPTQIG-UEVCKROQSA-N 360.582 5.952 0 1 FKAF in-vivo COc1cc(-c2cscc2-c2ccc(C)c(C)c2)cc(OC)c1OC 72110243 JZQAVMFDZRANFR-UHFFFAOYSA-N 354.471 5.725 0 1 FKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@@H]1c1ccc(F)cc1 84759430 COZAUGRKNQCDCG-IBGZPJMESA-N 352.434 5.067 0 1 FKAF CC(C)(C)c1ccc(-c2cccc3cc(-c4ccccc4N)ccc23)cc1 95602604 OOLVCWSMNREBHF-UHFFFAOYSA-N 351.493 7.054 0 1 FKAF Cc1cc(CO)ccc1-c1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1C 96940169 XIWUFZZFPQYGPY-UHFFFAOYSA-N 370.448 5.545 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)N(CC)CC 231934442 FJSSHRJDGBNCDH-OEOXXNNKSA-N 359.598 7.001 0 1 FKAF CC[C@H](C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299819516 DAXMFHJYAYLAJM-OBDHYOFXSA-N 373.581 5.081 0 1 FKAF CCCSc1cccc(N=c2[nH]c(-c3cccc(Cl)c3)cs2)c1 473089200 QZYQVNXBDBRKOR-UHFFFAOYSA-N 360.935 6.131 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2c(Cl)c(Br)cnc2[nH]1 586884675 WYZZIOHNDKITRU-UHFFFAOYSA-N 372.653 5.502 0 1 FKAF Cc1cc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1Br 586976372 IVPRGHHEIHNTDN-UHFFFAOYSA-N 369.184 5.243 0 1 FKAF CCCCC[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990079 IQYWELLHWYHNDA-OAHLLOKOSA-N 371.480 5.837 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(C)ccc(C)c2[nH]1 587013766 CCSVRSOCKQMTAD-UHFFFAOYSA-N 353.878 5.932 0 1 FKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4cc5[nH]ncc5cc4[nH]3)o2)c1 587051692 SSHATEKHDNQMPU-UHFFFAOYSA-N 369.211 5.673 0 1 FKAF Fc1cc(Br)cc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587106057 DIDRNOBVGVSFRV-UHFFFAOYSA-N 373.147 5.074 0 1 FKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cnc3ccccc3c2[nH]1 587149286 KLBOJZHMMFJKJE-JOCHJYFZSA-N 368.415 5.452 0 1 FKAF Fc1ccc(/C=C(/c2nc3ccc(F)c(F)c3[nH]2)c2cccs2)cc1 587164139 OEYANEATSYDIMN-JLHYYAGUSA-N 356.372 5.631 0 1 FKAF C[C@@H]1C[C@@H](C)CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348100 CHJGYDDNIQYSGD-ARGWCVDVSA-N 354.421 5.085 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1C)([C@@H]1CCC[C@H](C)C1)O2 587404676 GURVVOSTKREUGD-PQNFPLSNSA-N 363.501 5.573 0 1 FKAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(c2cccc(Cl)c2)C1 587463747 YNXUHVJAHJOJMT-UHFFFAOYSA-N 356.849 5.280 0 1 FKAF CC(C)(C)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498799 HCWUDHLQKHFCMV-HSZRJFAPSA-N 368.904 6.126 0 1 FKAF CC/C=C\CCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601153 FGIKFWCLFVAGKT-IIMWHKGRSA-N 352.430 5.249 0 1 FKAF CCC[C@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602377 JRNLPJLLGLPIEA-NZQKXSOJSA-N 366.457 5.473 0 1 FKAF CCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2ccc([C@@H](C)CC)cc12 587643874 XVPHDRKEXCIFCO-ZDUSSCGKSA-N 361.407 6.809 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccccc1C(F)(F)F 587871211 QEMMGPRURRCXMQ-UHFFFAOYSA-N 350.315 5.096 0 1 FKAF C[C@@H](Cc1nc(-c2ccc(F)c(F)c2)cs1)n1ccc(C(F)(F)F)n1 587922165 KFURAJQTSXNDQK-VIFPVBQESA-N 373.350 5.107 0 1 FKAF COc1ccc2c(c1)[C@@H](c1cccn1-c1ccc(C)cc1)N(C(C)C)CC2 962093865 UFQGFBMLAZJAQY-DEOSSOPVSA-N 360.501 5.150 0 1 FKAF Cc1sc2c(c1C)CCN[C@]2(c1ccc(C(F)(F)F)cc1)C(C)C 963004397 CLTOXHKIWWMGED-SFHVURJKSA-N 353.453 5.429 0 1 FKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@@]31NCCc2c(Cl)cc(Cl)cc21 963120486 IONANFGAGVEBFZ-NRFANRHFSA-N 371.311 5.427 0 1 FKAF FC(F)(F)c1ccc(-c2ncccc2-c2nc3cc(Cl)ccc3[nH]2)cc1 1857600234 JKURXROJPHZLMK-UHFFFAOYSA-N 373.765 5.964 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 2356396002 YEJNIBFGDXBKPG-BDRGWILTSA-N 352.562 6.713 0 1 FKAF C[C@@H]1CC=C[C@](C)([C@H]2C[C@@H](Cc3cccc(O)c3)CC3(CCCC3)C2)C1 2356477103 OUOWUEBTLCCJKL-VLHNPEIBSA-N 352.562 6.904 0 1 FKAF Cc1cc(Cl)ccc1[C@@H](O)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61907134 JAUPQKZLBDEGSJ-MRXNPFEDSA-N 366.770 5.139 0 3 FKAF Oc1cc2c(cc1CCCOc1ccccc1)O[C@@H](CCc1ccccc1)C2 1555089 WPWMIRXEAPDWIV-QHCPKHFHSA-N 374.480 5.340 0 1 FKAF Clc1ccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 5776940 MNNVCGOTUDDUPE-UHFFFAOYSA-N 373.070 5.854 0 1 FKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](C)C(=O)O 8689975 GODYQXVZARYDST-NOENAMLJSA-N 351.531 5.389 0 1 FKAF C[C@@H](Cc1ccc(OCc2ccccc2)cc1)NCCCc1ccccc1 13822212 AJBIBDUBTQRTIR-NRFANRHFSA-N 359.513 5.419 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cccnc1 26499263 MXMFCEUTOXUVHB-OULXOOISSA-N 351.534 5.489 0 1 FKAF CNCc1ccc(C(F)(F)F)cc1Oc1ccc(Cl)c(Cl)c1 34043497 ONXYECUKUIZIBT-UHFFFAOYSA-N 350.167 5.524 0 1 FKAF Clc1ccc(-c2cc(-c3ccc(Cl)o3)cc(-c3cccs3)n2)cc1 45368944 VEDURBWWHYHXIP-UHFFFAOYSA-N 372.276 7.044 0 1 FKAF CCCC(=O)N1CCc2c([nH]c3ccc(C)cc23)[C@H]1c1c[nH]c2ccccc12 49802921 CHMVOPXQGXZRQW-XMMPIXPASA-N 371.484 5.232 0 1 FKAF Cc1ccc(-c2c(CN)c(CC(C)(C)C)nc(CC(C)C)c2C(=O)O)cc1 66074686 WBWMMMGDTXEGFJ-UHFFFAOYSA-N 368.521 5.001 0 1 FKAF COc1ccc(-c2cn3c(nc4ccccc43)c(-c3ccccc3)n2)cc1 66077990 SXYUXMIBPHYFKY-UHFFFAOYSA-N 351.409 5.225 0 1 FKAF CC(C)Oc1ccc(-c2nc(CN[C@@H]3C[C@H](C)CC(C)(C)C3)co2)cc1 72101497 NMFBSIKHNGDFKG-FUHWJXTLSA-N 356.510 5.433 0 1 FKAF Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(c1)NC(=O)C21CCCC1 73196935 GKHRCPZFLYMLTA-UHFFFAOYSA-N 373.456 5.141 0 1 FKAF Cc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccccc2)oc1C 82162536 KEAMIPMNIKYWKF-IFXJQAMLSA-N 362.477 5.406 0 1 FKAF CC(C)(C)[C@@]1(O)CCN2C[C@H]3CCc4ccccc4-c4cccc(c43)[C@@H]2C1 169337523 QALOPIQRQWRCTP-WSUBETFTSA-N 361.529 5.311 0 1 FKAF CC(C)COC(=O)[C@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O 253639260 VWCLCSNGYMXSLD-HYVNUMGLSA-N 360.519 5.084 0 1 FKAF CC(=O)n1c2cccc(Cl)c2c2cc(-c3ccc(Cl)cc3)nnc21 299827135 OYVOTANSVGGXCS-UHFFFAOYSA-N 356.212 5.218 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 586898384 JTZSBLKHGJAHGF-UHFFFAOYSA-N 355.224 5.909 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)cc1 586899074 SDDNJQKLSOUEJJ-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF C[C@H]1c2nc3ccc(O)c4c3c(c2[C@H]1c1ccccc1)-c1ccccc1C4=O 586991579 PHFRKIDQIGPUON-BFUOFWGJSA-N 363.416 5.401 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(C(F)(F)F)cnc2[nH]1 587062984 YWAPOGAQKCDQDS-GFCCVEGCSA-N 355.747 5.160 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc3cn[nH]c3cc2[nH]1 587073330 BTQJLFMRWWDGIY-UHFFFAOYSA-N 358.832 5.735 0 1 FKAF Clc1ccc2ccc(-c3nc4c(ccc5ncccc54)[nH]3)nc2c1Cl 587083412 SIYFRRJAJRMGRY-UHFFFAOYSA-N 365.223 5.633 0 1 FKAF FC(F)(F)Oc1cccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587085381 VADDPFJMTGBGPV-UHFFFAOYSA-N 363.726 5.330 0 1 FKAF Cc1ccc2c3c(cc(-c4cnn(C(C)C)c4C)nc13)-c1ccccc1C2=O 587098975 XQPWRBCYIRBLQL-UHFFFAOYSA-N 367.452 5.507 0 1 FKAF CCCc1nc2cccc3c2c(c1Cc1ccccc1)-c1ccccc1C3=O 587205882 GYCFBGJMZJXLCT-UHFFFAOYSA-N 363.460 5.990 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(ccc4ccccc43)o1)O2 587415065 YGHQJFIOFDWDCJ-QHCPKHFHSA-N 357.409 5.357 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccc3cccnc13)CC2=O 587461436 KFJRKDAZJQSIAD-GOSISDBHSA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-n3cccc3)cc1)CC2=O 587470134 INHKHFVUMRJGFS-HSZRJFAPSA-N 361.441 5.016 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H](c3ccccc3)C1)CC2=O 587485552 VUGZUOVXXQPTKE-UUOWRZLLSA-N 364.485 5.797 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc3sccc3nc1Cl)CC2=O 587498231 ZMGZHVVQFSNMKH-INIZCTEOSA-N 373.861 5.314 0 1 FKAF O=C1CC2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1ccccc12 587528954 HATCKHZSXXEMPN-UHFFFAOYSA-N 352.433 5.455 0 1 FKAF CCc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(CC)c1O 587532737 NNTMFVMQJNCKAT-NRFANRHFSA-N 350.458 5.102 0 1 FKAF Fc1ccc2c(-c3ccccn3)c(-c3ccc(Br)cc3)[nH]c2c1 587632033 BDXUQKGEAOSZTO-UHFFFAOYSA-N 367.221 5.799 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2Cl)N1 587701686 XOSMHJPETTXHMX-BTDLBPIBSA-N 368.677 5.039 0 1 FKAF CCc1cc(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587817578 CTRRXROKJMEGGA-BLVKFPJESA-N 362.286 5.083 0 1 FKAF CC(C)C[C@@H]1CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587818370 RBIZMDMKFDCDDB-FHSNZYRGSA-N 354.307 5.164 0 1 FKAF CC(C)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587821055 SQKVKTBAPKIVOI-BUXKBTBVSA-N 362.286 5.335 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C3CCC3)c2)N1 587821812 XWMQYHACMZRBEI-YUNKPMOVSA-N 374.297 5.479 0 1 FKAF CC1=C[C@H](C)C[C@H]([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C1 587824781 YNRDTOFTVNHBFK-JFJFPDHYSA-N 352.291 5.156 0 1 FKAF CC(C)(C)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2n1 587949838 LCNLJDVSNMSUIA-SSZFMOIBSA-N 369.468 6.218 0 1 FKAF CC[C@]1(Cc2nc3cc(Cl)cc(C)c3[nH]2)CC(=O)c2ccccc2C1 587959762 HQTSILITEJULIL-OAQYLSRUSA-N 352.865 5.293 0 1 FKAF CCCCOc1cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2cc1Br 587967276 MIBJHVMDHBZPHN-YNEHKIRRSA-N 361.283 5.184 0 1 FKAF Cc1cc2c(cc1F)[C@@](Cc1ccccc1Cl)(c1ccoc1)NCC2 962378796 UNZBPLRMZIFSEG-OAQYLSRUSA-N 355.840 5.013 0 1 FKAF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(C2)c2cccc(F)c2CCN1[C@H]1CCSC1 962720919 XRNKVIOIUIMWFR-FRMGNDQPSA-N 359.554 5.231 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2oc3ccc(OC)cc3c2C)N1 962949238 DUCOKBQYOLVSRO-OYLFLEFRSA-N 374.484 5.419 0 1 FKAF CC[C@@H](C)c1nn(-c2ccc(Cl)cc2)c2nc(C3CC3)cc(C(=O)O)c12 1857533885 OZINAMPYZYKWJV-LLVKDONJSA-N 369.852 5.163 0 1 FKAF CC[C@H](C)c1nn(-c2ccc(Cl)cc2)c2nc(C3CC3)cc(C(=O)O)c12 1857533886 OZINAMPYZYKWJV-NSHDSACASA-N 369.852 5.163 0 1 FKAF Clc1cccc(NCc2cscc2CNc2cccc(Cl)c2)c1 1857535613 WTJYEZVTIXPOMD-UHFFFAOYSA-N 363.313 6.279 0 1 FKAF Clc1ccc2nc(N3CCc4c([nH]c5cccc(Cl)c45)C3)sc2c1 1857607314 UAKSCAUCXQKSLD-UHFFFAOYSA-N 374.296 5.647 0 1 FKAF Cc1c(-c2ccc(C(F)(F)F)cc2)nc2cccnc2c1-c1ccccc1 1857746291 PQXHRLBMQBCMER-UHFFFAOYSA-N 364.370 6.291 0 1 FKAF CC=C(C)C(=O)O[C@H]1CC=C(C)CCCC(C)(C)[C@@H](OC(C)=O)C=C1C 2356679043 DJZAMDRFIUQAJH-PMACEKPBSA-N 362.510 5.289 0 1 FKAF COC(=O)c1cc(O)c2c(c1)C[C@]1(O2)[C@H](C)CC[C@@H]2C(C)(C)CCC[C@]21C 2356714627 DEEMHJXPOBTJEP-XBRCYRKVSA-N 372.505 5.115 0 1 FKAF Cc1cc(F)ccc1[C@@H](O)c1nc(-c2ccc(Oc3ccccc3)cc2)c[nH]1 61902655 PSAGFYRAXDKOKF-JOCHJYFZSA-N 374.415 5.398 0 3 FKAF Cc1cccc(-c2c(-c3cc(C)no3)c(=O)[nH]c3ccc(Cl)cc23)c1 29126196 OURNGOXQHDKJJK-UHFFFAOYSA-N 350.805 5.120 0 1 FKAF Cc1c(-c2ccc(-c3ccccc3)cc2)nc2cc(Cl)ccc2c1C(=O)O 29331127 HVBJOCWEUFAKPO-UHFFFAOYSA-N 373.839 6.229 0 1 FKAF O=C(O)c1cccc2c3c(n(Cc4ccccc4C(F)(F)F)c12)CCCC3 34096411 XAYKLHUEULGGGJ-UHFFFAOYSA-N 373.374 5.285 0 1 FKAF in-vitro CC(=O)Oc1ccc(-c2nc3cc(Cl)ccc3n2C2CCCC2)cc1 40404382 ZUNDVANGBLISID-UHFFFAOYSA-N 354.837 5.397 0 1 FKAF O=C(O)c1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1 66100583 GLYHXPGSXJQTTN-UHFFFAOYSA-N 356.377 5.283 0 1 FKAF Cc1cccc(C)c1-c1cccc(COc2ccc(C[C@@H](C)C(=O)O)cc2)c1 66104943 UQJDMJJXUXTBQX-LJQANCHMSA-N 374.480 5.813 0 1 FKAF CCCCSc1ccc2nc(-c3ccc(C(F)(F)F)cc3)cn2n1 72173228 WKNXVODXYBZVAF-UHFFFAOYSA-N 351.397 5.307 0 1 FKAF CCCC/C=C\CCCCCCCCCc1cccc(OC)c1C(=O)OC 72173423 DWNSTHXHWNEYCU-FPLPWBNLSA-N 374.565 6.892 0 1 FKAF CCc1cnc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccco2)s1 82165417 SGKJBVQEZRLNGY-XJKSGUPXSA-N 368.506 5.413 0 1 FKAF Cc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccco2)sc1C 82165424 OLZOHUYTDXEKFS-BLLLJJGKSA-N 368.506 5.468 0 1 FKAF C[C@@H](OC(=O)Nc1c(-c2ccccc2F)cnn1C)c1ccccc1Cl 95571595 SSMIBGPOHRVNGJ-GFCCVEGCSA-N 373.815 5.189 0 1 FKAF COc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2SC3)cc1 473145627 YBRIVXKFUFUDFB-UHFFFAOYSA-N 355.850 5.155 0 1 FKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 586885307 AVLLFBTXNJLZNQ-MGPLVRAMSA-N 368.786 5.381 0 1 FKAF CCc1oc2ccccc2c1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586902658 FCVGYTBZJLVMAP-UHFFFAOYSA-N 364.754 6.211 0 1 FKAF C[C@H]1CCc2sc(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2C1 587033400 IEDHXPIJFYVALO-QMMMGPOBSA-N 354.372 5.574 0 1 FKAF Cc1c(Br)cc2nc(CCc3ccccc3Cl)[nH]c2c1C 587057478 AAEDTECEOFVMGU-UHFFFAOYSA-N 363.686 5.381 0 1 FKAF COc1cc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2cc1Cl 587065924 FGOJRAXKOVPXTA-UHFFFAOYSA-N 365.260 5.198 0 1 FKAF FC(F)(F)c1cccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 587073030 DAURIEUZGXEVFJ-UHFFFAOYSA-N 350.771 5.509 0 1 FKAF COc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1C 587094576 CCORKJKFUXREMV-UHFFFAOYSA-N 374.284 5.585 0 1 FKAF Cc1c(Cl)ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587149915 OLAINJKNYBYWEA-HXUWFJFHSA-N 365.839 5.865 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(Cl)c1)O2 587378281 NILYBULIZMMMKV-QFIPXVFZSA-N 363.844 5.140 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(SC(F)F)cc1)CC2=O 587465743 JYOORIGMBIGSBX-QGZVFWFLSA-N 364.413 5.366 0 1 FKAF CCCCC[C@]1(c2ccc(N)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587472354 HCHKARDUVDHEOF-HSZRJFAPSA-N 367.489 5.368 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CCC)(c1ccc(OC)cc1)CC2=O 587481148 PWABLUZKJMMAJE-QFIPXVFZSA-N 354.446 5.014 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CCc1ccccc1)(C(C)C)CC2=O 587488022 HQBJIHJDHKKXHR-QHCPKHFHSA-N 352.474 5.338 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(C=O)sc3s1)CC2=O 587493807 GSVILMWCMJXJDC-INIZCTEOSA-N 372.467 5.140 0 1 FKAF C[C@@]1(c2ccc(OCCCF)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504682 JTQPHXGHEKPGAK-QHCPKHFHSA-N 368.448 5.184 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CC1CC1)c1ccccc1 587600248 AKFTZSSKUAONSI-URXFXBBRSA-N 372.420 5.049 0 1 FKAF Fc1cccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2cccc(F)c2)c1 587629948 ALDUUJWNPIUVJR-UHFFFAOYSA-N 357.762 6.573 0 1 FKAF CCCCc1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587637517 BCGMTGQZIGJLJB-UHFFFAOYSA-N 372.262 5.638 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCc3ccccc32)N1 587817174 IZKLLBLJWPFWSI-ZUOKHONESA-N 374.297 5.092 0 1 FKAF CC(C)C1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587820374 ZYOLPCWGSAPNGG-WHENESEISA-N 354.307 5.164 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(Cl)ccn1 587865352 WEJVPMZALJYGHS-UHFFFAOYSA-N 367.758 5.005 0 1 FKAF Oc1ccc(-c2ccc(-c3nc(-c4ccc(F)c(F)c4)cs3)cc2)cc1 587922220 NFMROKSINWHDSM-UHFFFAOYSA-N 365.404 6.128 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587952707 VWZJANOKHSAXTB-GMXABZIVSA-N 358.379 5.767 0 1 FKAF CCC[C@H](c1ccccc1)[C@@H]1c2ccsc2CCN1Cc1cccn1C 962398994 OXSDTMYFISLKNL-NFBKMPQASA-N 364.558 5.770 0 1 FKAF COc1ccc2c(c1OC)[C@H]([C@H](C)[C@@H](C)CCC=C(C)C)N(C)[C@@H](C)C2 962616662 AMCUJBRTIRNFGA-AYMMHLMVSA-N 359.554 5.640 0 1 FKAF CC1=C[C@H](CNCC(C)C)[C@@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356286910 SEVWXXBPRGOORX-PWRODBHTSA-N 367.581 5.514 0 1 FKAF CC(C)=CCOc1cc(CCc2cccc(O)c2)cc(O)c1CC=C(C)C 5854476 PXJDPPLCQZVKRC-UHFFFAOYSA-N 366.501 5.737 0 1 FKAF biogenic,in-vitro C[C@@]12C=C(/C=C/C=C/c3ccco3)[C@@](C)(C1)[C@H](/C=C/c1ccco1)CC2=O 7992445 UQMOFGNDJAVHLT-QKDSGLBJSA-N 360.453 6.087 0 1 FKAF c1ccc(CN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1 13746596 DBTLGQPWNTVROW-UHFFFAOYSA-N 371.524 5.705 0 1 FKAF COc1ccc([C@H]2C[C@H](c3ccccc3)Oc3cc4c(cc32)OCO4)cc1 13829809 YQRRFKSPYWIJGA-UYAOXDASSA-N 360.409 5.080 0 1 FKAF N=C(N)c1ccc2[nH]c(-c3cc(Cl)cc(-c4ccccc4)c3O)cc2c1 13863704 QHOGUHKKMFDODA-UHFFFAOYSA-N 361.832 5.145 0 1 FKAF CN1CCC(CCn2cc(C(=O)C3C(C)(C)C3(C)C)c3ccccc32)CC1 45254588 RROKKCWHZJTZKH-UHFFFAOYSA-N 366.549 5.238 0 1 FKAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccc(C)cc2)N1CCCN(C)C 58649953 RZVYHDCYMAMDJY-NRFANRHFSA-N 355.913 5.055 0 1 FKAF in-vitro O=C1N(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1(Cl)Cl 66258639 KNDFUCSACZHNGV-CYBMUJFWSA-N 361.055 5.255 0 1 FKAF CC1=C2C[C@@]34CC[C@H]5CCC[C@@H](C=C[C@H]3N3CC36CCCC6)[C@]4(C)[C@@]25CC1 85548254 YEIBEVVNVXLGGP-OMSBISQBSA-N 363.589 6.256 0 1 FKAF biogenic,in-vitro CCCN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(C)s1 95583330 WNWCBUHBVXNKTE-OAQYLSRUSA-N 362.498 5.632 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(OCc2cccc(F)c2)nn1 103166774 ALEYJLRKCUMEJA-UHFFFAOYSA-N 362.326 5.189 0 1 FKAF Fc1cc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)ccn1 148301828 YPJCWOMXMMRMFT-UHFFFAOYSA-N 358.376 5.214 0 1 FKAF O[C@H](C[C@@H]1CCCCN1)c1cc(-c2ccccc2)nc2c(Cl)cccc12 169334662 OSIKORCARZAAQO-HRAATJIYSA-N 366.892 5.121 0 1 FKAF COc1cccc([C@H](C)Nc2cc(-c3ccc4ccn(C)c4c3)nc(C)n2)c1 205839251 WIFAYWWSNTXUHI-HNNXBMFYSA-N 372.472 5.125 0 1 FKAF CCc1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1CC 586878356 FRKUJMBLZWSUPW-UHFFFAOYSA-N 356.473 5.186 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586884714 XYRNCQRRWXTLKJ-UHFFFAOYSA-N 364.452 5.523 0 1 FKAF FC(F)(F)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587074628 BQATZZOLIGZJAA-UHFFFAOYSA-N 350.771 5.705 0 1 FKAF CC(C)Oc1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587074813 CSSIDPQKBHNYBB-HXUWFJFHSA-N 369.896 5.341 0 1 FKAF Oc1ccccc1-c1cc(-c2nc3ccccc3[nH]2)c2cccc(Cl)c2n1 587081973 AXVYETPOGMKNPV-UHFFFAOYSA-N 371.827 5.804 0 1 FKAF CCCn1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cn1 587098959 XJVGZYCYRUSBAD-UHFFFAOYSA-N 353.425 5.028 0 1 FKAF CC(C)(C)c1cccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 587164918 FHELVUUSCZDBRO-UHFFFAOYSA-N 350.462 6.395 0 1 FKAF O=C(c1ccc(F)c(Br)c1)c1coc2ccc(Cl)cc12 587279064 UZXFJPIWOSFSNF-UHFFFAOYSA-N 353.574 5.219 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C(C)C)C3)c1 587365612 HXTUHSNDIBYXDH-INIZCTEOSA-N 357.453 6.027 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CCc1ccccc1)(CC(C)C)CC2=O 587479275 CVAFASORVGIBKQ-XMMPIXPASA-N 366.501 5.728 0 1 FKAF CCCCC[C@@]1(c2ccccc2)CC(=O)c2ccc(O)c(CCC)c2O1 587489274 OHHVXBJNNDEHCP-QHCPKHFHSA-N 352.474 5.786 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccccc1SC)CC2=O 587491547 KXXSGZIVGBHIMV-NRFANRHFSA-N 356.487 5.033 0 1 FKAF O=C1C[C@@H](c2ccnc3ccc(Cl)cc23)Oc2c1ccc1c2CCCC1 587501164 QZSWBXSMUMRHJE-NRFANRHFSA-N 363.844 5.474 0 1 FKAF CC(C)Oc1ccc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520491 DCIVQHLPDANRFF-FQEVSTJZSA-N 364.485 5.319 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC[C@H]2C[C@H]3CC[C@H]2C3)N1 587820367 PBOVHWHHZTUGOC-PYXYIPKBSA-N 366.318 5.380 0 1 FKAF CC[C@@]1(c2ccc(C)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587844499 AYMHYYZFLQICLM-BTDLBPIBSA-N 368.315 5.146 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(F)c1F 587855808 RWAKMYHFCDLZRH-UHFFFAOYSA-N 369.198 5.523 0 1 FKAF Cc1c(Br)cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1C 587951655 IEZMNUSFFSOCIK-UHFFFAOYSA-N 371.278 5.541 0 1 FKAF Clc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2nc1Cl 587955451 JFTGMCQAVQGMMC-HNNXBMFYSA-N 368.267 5.639 0 1 FKAF Clc1cccc(-c2nnc(/C=C/c3ccc(-c4ccccc4)s3)o2)c1 653710279 MCGSGUAHXVQONR-ZRDIBKRKSA-N 364.857 6.289 0 1 FKAF Oc1ccc(-c2cncn2CCNc2cccc3ccccc23)c(Cl)c1 653845376 GMBCONQQQMPMOJ-UHFFFAOYSA-N 363.848 5.174 0 1 FKAF COc1ccc2c(c1OC)[C@H](c1ccccc1-c1ccccc1)N(C)[C@@H](C)C2 962631065 IYXDAQCJXPKPQK-XDHUDOTRSA-N 373.496 5.337 0 1 FKAF C[C@H]1CCC[C@@H](C)[C@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962954010 KUIDGFMYTPKNBU-QVDMIQRCSA-N 367.455 5.008 0 1 FKAF Fc1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)c(Cl)c1Cl 963107110 LVWQIIDEHWATAY-OAHLLOKOSA-N 365.062 5.674 0 1 FKAF FC(F)(F)Oc1ccc(-c2ccc(OCCCc3ccccn3)nc2)cc1 1857585856 UJPWWLCLWOBADD-UHFFFAOYSA-N 374.362 5.054 0 1 FKAF CC1=C[C@@H]2[C@H]([C@@H](OC(=O)C=Cc3ccccc3)CC(C)=CCC1)C2(C)C 2356477851 JYEVPOCBZDNGDL-FUPPJEDESA-N 350.502 5.960 0 1 FKAF c1ccc2c(NCCCCCCNc3cccc4ccccc34)cccc2c1 1625760 YKLKXZZXMUULLG-UHFFFAOYSA-N 368.524 7.077 0 1 FKAF Clc1ccc2c(c1)[C@@H]1[C@H](CO2)C(c2ccccc2)=NN1c1ccccc1 5823917 USZXMYNZUVAVQH-DENIHFKCSA-N 360.844 5.314 0 1 FKAF CN(C)CCC1=C([C@@H](c2ccccc2)c2ccccn2)c2ccccc2C1 13493490 UFUQREONAQKXQA-VWLOTQADSA-N 354.497 5.175 0 1 FKAF COc1cc2c(cc1/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC2(C)C 13757372 UPVFFMLTSPBEBW-TWHHPHDDSA-N 368.517 6.035 0 1 FKAF C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(-c3cccs3)nc21 13835488 LWPYMLRXIXZMKH-CQSZACIVSA-N 370.481 5.505 0 1 FKAF O=C(CCCNC1CCCCC1)N[C@@H](c1ccccc1)C1CCCCC1 26385699 IECOIADFPAVSQZ-QHCPKHFHSA-N 356.554 5.127 0 1 FKAF CC1=CC[C@@H]2[C@H](C1)c1c(O)cc([C@H](C)[C@@H](C)C3CCCC3)cc1OC2(C)C 26719496 USDMFBBEDJJVQK-SGLNWRHMSA-N 368.561 6.933 0 1 FKAF NCCCCN(Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1 27715047 FEFAPYNPUHXDJT-UHFFFAOYSA-N 374.528 5.007 0 1 FKAF Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CC1CCCCC1 28640794 PXNSRPJCTFUJGA-UHFFFAOYSA-N 364.316 5.635 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(OC)c1 28758155 YXNKGSVXMGLJSF-UHFFFAOYSA-N 369.549 6.229 0 1 FKAF Clc1ccc2ccc(-c3c[nH]c4ccc(Br)cc34)nc2c1 28760358 KVTZSXMIYLRWCJ-UHFFFAOYSA-N 357.638 5.799 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820921 OWRNRZOHODMKOY-OPTMKGCMSA-N 372.549 5.491 0 1 FKAF CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1(C)C 34800997 KMKBRLPCUKJMSX-TZIWHRDSSA-N 372.915 5.082 0 1 FKAF CC(C)c1cc(C(C)C)n(C[C@H](OC(=O)Nc2ccsc2)C(C)C)n1 40401163 GOPDHXJUOMJCBB-SFHVURJKSA-N 363.527 5.465 0 1 FKAF Cc1cccc(-c2nc(NCc3ccccc3F)ncc2-c2ncc(C)o2)c1 82173755 OCJVTGNXLFBZEN-UHFFFAOYSA-N 374.419 5.167 0 1 FKAF Cc1cnc(-c2cnc(NCC3CCCCC3)nc2-c2ccccc2F)o1 82175330 ODGOJQQGCWJTIX-UHFFFAOYSA-N 366.440 5.238 0 1 FKAF CCCc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1C[C@@H](C)CC 82188765 FYLIQAVKTYXZGH-IRXDYDNUSA-N 365.525 5.041 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)nc(-c3cccc(Cl)c3)c2)c1 95557762 GSOAMJWPYNULPS-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF CCCCN1CCC(COc2noc3cccc(OCC(C)(C)C)c23)CC1 95572719 GIAFMALBXILRAW-UHFFFAOYSA-N 374.525 5.144 0 1 FKAF CCOC(=O)C1=CN(Cc2cccc3ccccc23)C=C[C@@H]1c1ccccc1 95584330 SLYQGFXLZVKYDN-HSZRJFAPSA-N 369.464 5.400 0 1 FKAF CC(C)CC[C@]1(c2ccccc2)CC(O)=C(Sc2ccccc2)C(=O)O1 100363964 NIYHOWRUZNKWDW-JOCHJYFZSA-N 368.498 5.827 0 1 FKAF C[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@]1(C)CCN2Cc1ccccc1 100719909 RFIKUGPYXNCFAU-GQWLDOHISA-N 370.334 5.174 0 1 FKAF CC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1 113766020 UCVARKUGUAIURB-HNNXBMFYSA-N 350.487 5.314 0 1 FKAF C/C1=C/C[C@@H](OC(=O)c2ccc(F)cc2)/C(C)=C\[C@@H](O)C(C)(C)CCC1 169692869 MSRWAJRVXIEGII-URRVEYQKSA-N 360.469 5.205 0 1 FKAF CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(C(C)C)cccc32)cc1 473097940 DWRBLLVOXJBPCD-YADHBBJMSA-N 368.473 5.429 0 1 FKAF CC(C)(C)Nc1c(-c2ccc(-c3ccc(F)cc3)cc2)nc2cnccn12 473114993 QGWVCCYMXIQDEH-UHFFFAOYSA-N 360.436 5.413 0 1 FKAF O=C(O)c1ccccc1/C=C\c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586881326 WJDGBYLWGMYGGK-WAYWQWQTSA-N 366.726 5.104 0 1 FKAF Oc1cccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586976086 SXHPEVIFDGZGMP-UHFFFAOYSA-N 358.022 5.005 0 1 FKAF O=C1c2ccccc2-c2cc(-c3coc4ccccc34)nc3ccc(O)c1c23 586992892 ZZABPKQUAKRWMY-UHFFFAOYSA-N 363.372 5.565 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc3ccccc3cc2[nH]1 587010768 BMVDSUXHEJAXIA-UHFFFAOYSA-N 355.466 5.739 0 1 FKAF Fc1cc2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2cc1Cl 587050880 RBUCDNZKFRNMMY-YUMQZZPRSA-N 355.627 5.933 0 1 FKAF CCc1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1 587067650 JELBOUQJSGOYOG-UHFFFAOYSA-N 362.860 5.605 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(C(=O)O)s4)nc13)-c1ccccc1C2=O 587101994 KLOAUXADZBUZJQ-UHFFFAOYSA-N 371.417 5.181 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587155933 OQJNAEJDKYONCX-CYBMUJFWSA-N 356.294 5.390 0 1 FKAF Cc1cc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1C 587191805 NXOSPMBNCDJDBH-IBGZPJMESA-N 365.477 5.136 0 1 FKAF CC[C@@H]1CC[C@H](C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350738 FEBHBILPVBWGBV-IAJRUTPKSA-N 368.448 5.475 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cc(C(C)C)ccc13)CC2=O 587480195 CPTOGTXBJYJGTD-QFIPXVFZSA-N 363.457 5.656 0 1 FKAF O=C1C[C@@H](c2cc(F)ccc2OCC2CC2)Oc2c1ccc1c2CCCC1 587502079 IDKSQUMRNBFNME-QFIPXVFZSA-N 366.432 5.200 0 1 FKAF C[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502714 MTBINPBHINTFSE-HXUWFJFHSA-N 371.274 5.209 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccccc3Br)c(C(C)C)[nH]c12 587624046 WTNAQMZGYGPTJS-UHFFFAOYSA-N 362.698 6.683 0 1 FKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccccn1 587628250 QAYOZTSSDQYKCY-UHFFFAOYSA-N 372.268 5.140 0 1 FKAF Fc1cc2c(-c3cccnc3)c(-c3ccc(Cl)cc3)[nH]c2cc1Cl 587628426 KNQSTVBYYKXWLM-UHFFFAOYSA-N 357.215 6.343 0 1 FKAF Cc1c(Cl)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587691383 FGUNBZNDZXUDBE-XLFHBGCDSA-N 368.677 5.174 0 1 FKAF Cc1ccc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587800647 CBJGFPBNVRAAOH-JEOXALJRSA-N 373.269 5.002 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC[C@H]2C[C@H]3CC[C@H]2C3)N1 587820369 PBOVHWHHZTUGOC-RVFOSREFSA-N 366.318 5.380 0 1 FKAF CC[C@H](c1ccccc1)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820767 QTWJJAWEMRKGKQ-KPAZRMRSSA-N 362.286 5.357 0 1 FKAF Oc1c(Br)ccc2nc(/C=C/c3cccc4ccccc34)[nH]c12 587966424 CRLMMAYBYJHLSI-DHZHZOJOSA-N 365.230 5.355 0 1 FKAF C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)[C@H]1CC2 1857757055 UBJDLYBYEQEEOR-VYAQIDIUSA-N 374.521 5.116 0 1 FKAF Clc1ccc(Oc2ccc(Nc3ccccc3)cc2Cl)c(Cl)c1 1857759701 YJJSKHQXQOHCIR-UHFFFAOYSA-N 364.659 7.183 0 1 FKAF CC1=C[C@H](CNC(C)C)[C@@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356311249 YKRVTFSBFKRAFD-XUVXKRRUSA-N 353.554 5.266 0 1 FKAF CSc1ccc(O[C@]2(C)CCN(Cc3cc4ccccc4o3)C2)cc1 61906937 YDATWSJWHAYKPR-OAQYLSRUSA-N 353.487 5.198 0 3 FKAF CC[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2-n2cccc2C1=O 1648534 KWSFGTUDMGWHIP-DEOSSOPVSA-N 353.421 5.511 0 1 FKAF Cn1c2c(c3ccccc31)CN(CCCOc1cccc3ccccc13)CC2 13476836 IJGKULPBSUOGBL-UHFFFAOYSA-N 370.496 5.159 0 1 FKAF Brc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 13517639 RSVFXFQFFXPJAY-UHFFFAOYSA-N 360.295 5.014 0 1 FKAF COc1ccccc1C1CCN(CCCCc2c[nH]c3ccccc23)CC1 13741505 NKPDKJVQROXIIC-UHFFFAOYSA-N 362.517 5.379 0 1 FKAF CCCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@H]23)[C@@]2(C)C=CC(=O)C=C12 14946856 TWSVBZORGBDMKX-SVRNJMLCSA-N 368.561 6.060 0 1 FKAF CCCCC[C@@H](/C=C/C=C\CCCCCCCCCC(=O)O)OC(C)=O 26580076 AYBGZVSRNGUYIC-PYFVZGSLSA-N 366.542 6.206 0 1 FKAF O=C(c1cnc(Nc2cc(Cl)cc(Cl)c2)s1)c1ccccc1F 28128936 MUZYDNPSPIXYDT-UHFFFAOYSA-N 367.232 5.564 0 1 FKAF CCC(CC)Oc1cc(C)nc(Nc2c(C)cc(C)cc2C)c1C(=O)O 29134915 GSWIJRRZFVBFID-UHFFFAOYSA-N 356.466 5.324 0 1 FKAF CCNC1CCC(c2c[nH]c3ccc(CC(=N)c4cccs4)cc23)CC1 96177596 NTVDYSUMBSVWKR-UHFFFAOYSA-N 365.546 5.476 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)OC(C)C 195078072 IZTAVISPABGUMJ-NKXWDUBDSA-N 361.570 6.877 0 1 FKAF Cc1cc(Cl)cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587076582 KMSWVQLGYNQSEQ-UHFFFAOYSA-N 373.243 5.013 0 1 FKAF Fc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1F 587137252 WDOOPJKHEAZNBE-UHFFFAOYSA-N 361.548 5.063 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587152865 SVNAHKQOZCNMLW-IAGOWNOFSA-N 374.390 5.343 0 1 FKAF CSc1ccc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2c1 587166291 QFQXJOHFQTXVPM-UHFFFAOYSA-N 351.450 5.405 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587170635 SCSCXTHXIWMFTR-MRVPVSSYSA-N 356.253 5.300 0 1 FKAF Fc1ccc2[nH]c(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c(Cl)c2c1 587175641 WOTSZHAQMLIIBW-UHFFFAOYSA-N 353.706 5.523 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(F)c(F)cc3[nH]2)c1 587239369 WRUDSRZGCFKZKV-UHFFFAOYSA-N 364.399 5.451 0 1 FKAF CCC[C@H](C)[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351722 GYKBFRPVQIWEHS-FSJXIACGSA-N 356.437 5.475 0 1 FKAF CC(C)[C@@H]1CCC[C@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604453 TZLJIZXOUWTYNW-NIJIEXERSA-N 366.457 5.329 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)Nc3ccccc3)c(-c3ccccc3)[nH]c12 587626843 IMBRPGSKUMPQQA-UHFFFAOYSA-N 360.844 6.049 0 1 FKAF O=C(O)CCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(F)ccc12 587632722 JEXAAFKQQVWVKD-UHFFFAOYSA-N 352.192 5.298 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(Cc3ccccc3Cl)c2c1 587639609 AOOCYQSIMMQWGF-QGZVFWFLSA-N 373.927 7.593 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(OC)cc3OC)c2c1 587643011 QPPHGLLNSCAQGF-CYBMUJFWSA-N 366.461 5.259 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3c(C)n(CC(=O)O)c4ccccc34)c(C)c2c1 587643996 YNGFYYWZXISFGY-AWEZNQCLSA-N 374.484 6.005 0 1 FKAF CCCOc1cccc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587779038 UIMJKIOYYMVISD-UHFFFAOYSA-N 370.452 5.174 0 1 FKAF Cc1ccc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587815928 RMBAPCGSNXLJAS-DJJJIMSYSA-N 362.286 5.003 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(C)C3(C)C)N1 587817026 HHUDOZMGSPWPSJ-PMWUCFBVSA-N 366.318 5.164 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCc3ccccc32)N1 587819184 HGFLOBNINTZHAB-QROBEVECSA-N 374.297 5.284 0 1 FKAF CC(C)[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587847336 KMGGRWLGMIGPAF-PIGZYNQJSA-N 368.315 5.084 0 1 FKAF CCCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587847906 MSBVEUOTXCLHHJ-BMLIUANNSA-N 368.315 5.226 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3cc4ccccc4cc3[nH]2)cc1 587935898 JUBITEOCPYBBHY-DEOSSOPVSA-N 364.448 5.905 0 1 FKAF CCc1ccc2nc(-c3ccc(-n4nnc5ccccc54)cc3)sc2c1 653889631 TTXMZKNKKMKRNW-UHFFFAOYSA-N 356.454 5.260 0 1 FKAF Fc1cccc(-c2ncc([C@H]3c4c(F)cccc4C[C@H]4CCCN43)s2)c1 963097049 FGWCZLLCOZMPDG-UZLBHIALSA-N 368.452 5.198 0 1 FKAF CCNC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 1857591941 KDAITDMDOSJVDK-ACIOBRDBSA-N 356.554 5.139 0 1 FKAF C[C@@H]1CC[C@@H]2[C@H](O)C[C@@H]3C(=C[C@]4(C)[C@H](O)C[C@]5(C)CCC(C)(C)[C@@H]5[C@@H]34)[C@]21C 2356325166 NHQMKSUTHDCJCC-PJQHXGAJSA-N 372.593 5.189 0 1 FKAF CCC(=O)O[C@H]1CC[C@@H]2[C@@H]3C[C@H](C)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356534639 OIHORBOMFNFQBP-IAEZILLPSA-N 360.538 5.166 0 1 FKAF S=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCCCC2)s1 6535201 ADTDVXWCGNHHME-UHFFFAOYSA-N 350.940 5.175 0 1 FKAF Cc1c(C)c2c(c(C)c1Nc1ccc3c(c1)CC(C)(C)O3)CC(C)(C)O2 13652155 HVCJRQDZGVSDNM-UHFFFAOYSA-N 351.490 5.782 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)NCCC 13797950 GWYNSOMCLKQLNL-GKFVBPDJSA-N 360.586 6.451 0 1 FKAF Cc1cccc(-c2ccccc2C(=O)NCCc2c[nH]c3ccccc23)c1 24603711 RKXFHVXIVWLLMC-UHFFFAOYSA-N 354.453 5.116 0 1 FKAF Cc1ccc(NC(=S)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 28709443 KWBFOLSMOMTIKO-JOCHJYFZSA-N 371.509 5.543 0 1 FKAF O=C(C[C@@H](C1=C(O)c2ccccc2C1=O)c1ccccc1)c1ccccc1 37637964 ZRCFKISCZSWCPU-HXUWFJFHSA-N 354.405 5.209 0 1 FKAF biogenic CCN(Cc1coc(-c2ccc(OC)cc2)n1)c1cccc2ccccc12 72180292 YLGQITZSTSWCLE-UHFFFAOYSA-N 358.441 5.530 0 1 FKAF CCCCCNc1ncnc2c1nc(-c1ccc(C)o1)n2C[C@H](C)CC 82186598 DGCQYXWBQRRHLX-CQSZACIVSA-N 355.486 5.043 0 1 FKAF Cc1c(Cl)ccc2cc3c(nc12)SC(Nc1ccc(F)cc1)=NN=C3 98082209 XLLPVBIKSZUEGN-UHFFFAOYSA-N 370.840 5.243 0 1 FKAF COc1ccc(/C=C/c2ccc3oc(=O)c(-c4ccccc4)cc3c2)cc1 103182738 XXYVGINCJVSVPW-BQYQJAHWSA-N 354.405 5.639 0 1 FKAF CCc1ccc(CCOc2ccc(C3=NO[C@@H](c4ccccc4)C3)cc2)nc1 103272596 MYLSIBBMVUSYKN-XMMPIXPASA-N 372.468 5.131 0 1 FKAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(C2CCCCC2)c1 113792352 LDUXERGDTJHKBZ-UHFFFAOYSA-N 357.837 5.338 0 1 FKAF CCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C#N)cc1 138720083 OZDOSPJQDNIROW-UHFFFAOYSA-N 351.453 5.576 0 1 FKAF Cc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)o2)cc1 299837024 OCSVBHSQJLRXRG-UHFFFAOYSA-N 355.397 5.377 0 1 FKAF Clc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2SC3)cc1 473145137 KRPKPDYONWEWGV-UHFFFAOYSA-N 360.269 5.800 0 1 FKAF Cc1c(Br)cc2nc(-c3cccc4c3OCC4(C)C)[nH]c2c1C 586912793 VWQVAYWTFGHKDE-UHFFFAOYSA-N 371.278 5.279 0 1 FKAF Cc1ccc(-c2nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)cs2)o1 587016568 NGAIVZIMHBYHSC-UHFFFAOYSA-N 365.336 5.153 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Cl)c(Cl)c1Cl)O2 587372778 ANCQTDYPKMWNNQ-KRWDZBQOSA-N 370.663 5.418 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(Cl)c3)o1)O2 587378183 MVQPNABEABGLLX-IBGZPJMESA-N 353.805 5.197 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)cc(Cl)c1F)O2 587383018 UUVZARDWXBRKLL-AWEZNQCLSA-N 373.733 5.095 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCCC3)cc1)CC2=O 587473658 AZPJVYBTCPLLAI-QFIPXVFZSA-N 365.473 5.042 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1c[nH]c3ccccc13)CC2=O 587481814 IIPQBBKOAHJCOF-HSZRJFAPSA-N 363.457 5.487 0 1 FKAF CCCc1ccc([C@@]2(CC)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587490139 RULXZALGJNACGE-HSZRJFAPSA-N 352.474 5.568 0 1 FKAF Cc1cc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C=O 587523297 KXRHKYWWLPOXHJ-XMMPIXPASA-N 362.469 5.184 0 1 FKAF O=C1C[C@@H](c2cc(Br)cs2)Oc2c1ccc1c2CCCC1 587530752 HHKKVYFYEVSYSV-HNNXBMFYSA-N 363.276 5.096 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1[C@](O)(c1ccccc1)C(F)(F)F 587629744 FYFHESDOWANEKN-MRXNPFEDSA-N 357.734 5.067 0 1 FKAF COC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587630285 XUACVHZCOVNZPL-UHFFFAOYSA-N 371.717 5.433 0 1 FKAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl 587698629 ZFVWYEWJCRIWMF-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF Cc1ccc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587815853 QOBYWONTUKROGN-ORAYPTAESA-N 362.286 5.003 0 1 FKAF FC(F)(F)c1cccc(OCc2nc(-c3cccc(Cl)c3)cs2)c1 587920902 QLEXNTFBQIRSJK-UHFFFAOYSA-N 369.795 6.061 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2ccc(C(=O)O)cc2[nH]1 587957155 HQBLDENWPPYWIM-UHFFFAOYSA-N 374.481 5.179 0 1 FKAF COc1ccc(C(=O)c2ccc3c(c2)Sc2ccccc2N3C)cc1F 653917164 FRUWHTSYQQIOBS-UHFFFAOYSA-N 365.429 5.298 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)Cc1ccc(C(F)(F)F)cc1 963225601 FMMTWPPVKFYBHC-IERDGZPVSA-N 361.451 5.820 0 1 FKAF COc1ccc2c(c1)c(-c1nc3ccccc3nc1Cl)cn2C(C)C 1857557113 BJOBUFZPVRWAHG-UHFFFAOYSA-N 351.837 5.494 0 1 FKAF CC=CCCCCCCC[C@@H]1[C@@H]2C=C[C@@H]3[C@H](C(=O)O)C=C[C@@H]4C[C@@H]1[C@@H]2[C@@H]43 2356340228 KFLDXHQJVVNZHY-LGXDMTTBSA-N 354.534 5.864 0 1 FKAF O=C(NCc1ccccc1)c1cccc2c(-c3ccc(F)c(F)c3)coc12 61903998 DQVGECPEODKVLL-UHFFFAOYSA-N 363.363 5.308 0 3 FKAF Fc1cccc(Cc2c(-c3cccc(Cl)c3)nc3ccc(Cl)cn23)c1 72122083 HWVBLKJMWPRRFG-UHFFFAOYSA-N 371.242 6.038 0 3 FKAF CC[C@H](C)C(=O)O[C@@H](CC=C(C)C)c1coc(-c2cc(O)ccc2O)c1 13432853 PEZOMNLHRUVLDV-LIRRHRJNSA-N 358.434 5.345 0 1 FKAF biogenic C[C@@]1(c2ccccc2)OC(=S)Nc2ccc(-c3cccc(Cl)c3)cc21 13488872 YBBTTYFZWTXGQD-NRFANRHFSA-N 365.885 5.998 0 1 FKAF CC(C)c1ccc(O[C@@](C)(C(=O)O)[C@H]2CCc3cc(Cl)ccc32)cc1 13604951 DKPBVAWRUCRJLI-PZJWPPBQSA-N 358.865 5.416 0 1 FKAF C/C(=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)cc(C)c2O1)C(=O)O 14691395 YBTAYKPEYLOHDQ-NHPSIZPGSA-N 358.478 5.322 0 1 FKAF O=C(CCCCCCc1ccccc1F)c1ncc(-c2ccccn2)o1 14979849 AITFDHBROVIWGR-UHFFFAOYSA-N 352.409 5.252 0 1 FKAF CCCc1cc(OC(=O)[C@@H](CC)c2ccccc2)n(-c2cccc(F)c2)n1 35690045 NIIVPNPTGFEDGU-FQEVSTJZSA-N 366.436 5.063 0 1 FKAF CC[C@H]1[C@H](C)CC[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13 40701175 LOXDVVJBFLMGGL-QLEPVXASSA-N 353.550 5.133 0 1 FKAF CCCCN(CCCC)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2 58590891 WREUZWMVENJQSM-UHFFFAOYSA-N 367.562 5.320 0 1 FKAF CC(=O)Nc1cc(-c2ccc(F)c(F)c2)cc(-c2cccc3[nH]ccc23)c1 66103223 RRIJPSPSWGMZDS-UHFFFAOYSA-N 362.379 5.739 0 1 FKAF O[C@](c1cccnc1)(c1ccccc1Cl)c1ccccc1C(F)(F)F 72102399 PKBYRHZDTRKVSY-SFHVURJKSA-N 363.766 5.038 0 1 FKAF Cc1ccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1Cl 72109324 DGPAUDJRYGLISJ-JOCHJYFZSA-N 357.925 5.977 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCC2CC2)C(C)(C)CCC1 72111355 LTDBJOBIIFQIPK-QOUPNPLKSA-N 353.550 6.044 0 1 FKAF Cc1nc(-c2cnc(N3CCCCC3)nc2-c2ccc(F)cc2)sc1C 82164532 PYMWOAJIENLPNL-UHFFFAOYSA-N 368.481 5.013 0 1 FKAF CN(Cc1nc(-c2ccccc2)c(-c2ccccc2)n1C)c1ccc(O)cc1 96914900 UGAJZYNRBSDCLT-UHFFFAOYSA-N 369.468 5.096 0 1 FKAF CC1=CSC2=NC3=C(CCC/C3=C\c3ccccc3)[C@H](c3ccccc3)N12 102897084 XWGRXQHTTFBINK-FIWMFUAISA-N 370.521 6.529 0 1 FKAF CCCCCCc1c(C(=O)CCCC(=O)O)c2cc(Cl)ccc2n1C 103270870 RUPANNZJCPJLPO-UHFFFAOYSA-N 363.885 5.392 0 1 FKAF CCOC(=O)/C(F)=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C 169317425 VJMPXFHPZJSGKM-ZBIKNVHHSA-N 372.480 5.943 0 1 FKAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3c(C)cccc23)c2ccccc2)c1 218336183 NTDQPRZGNWOFKM-HSZRJFAPSA-N 370.452 5.521 0 1 FKAF CC(C)c1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(O)c(C(C)C)c1 586896896 UHHJTKYNNDHHDB-UHFFFAOYSA-N 363.383 5.596 0 1 FKAF CCc1oc2ccccc2c1-c1nc2cc(Br)cc(F)c2[nH]1 586902573 BSYSKARYLKTJSR-UHFFFAOYSA-N 359.198 5.440 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(F)cc4O)nc13)-c1ccccc1C2=O 586994713 CVNZGKCPCIAGFF-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587072320 YLCKVEFGMIEABS-UHFFFAOYSA-N 362.860 6.079 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587114624 VOFKPNGNSHTXHS-VIFPVBQESA-N 373.300 5.342 0 1 FKAF Cn1cc([C@H](c2ccccc2)c2cnc3cccc4c3c2CC4)c2ccccc21 587210807 IMRNCSJLJCEACO-AREMUKBSSA-N 374.487 6.005 0 1 FKAF O=C(c1cc(Cl)cc(Br)c1)c1coc2ccc(Cl)cc12 587275762 FPBCMOUYDUHELM-UHFFFAOYSA-N 370.029 5.733 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](CCO)CCC3)c1 587365033 CORIDEPHRUCWKO-OAHLLOKOSA-N 373.452 5.459 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C(C)C)C3)c1 587365614 HXTUHSNDIBYXDH-MRXNPFEDSA-N 357.453 6.027 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](O)[C@H]3C)c1 587367681 YTBPIGMKOXCHGU-FZKQIMNGSA-N 359.425 5.067 0 1 FKAF CCCCCc1cc2c(s1)CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587414194 LJBGXESIAXNUJU-JOCHJYFZSA-N 369.530 5.568 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccc(C)cc3)on1)CC2=O 587483522 MQJDWWUMEVCUCU-NRFANRHFSA-N 363.413 5.015 0 1 FKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(C)C 587521916 DELCVOQQZWRXGU-QFIPXVFZSA-N 350.458 5.404 0 1 FKAF O=C1C[C@@]2(CCCC[C@H](c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587526194 RRMXNTNRJAPQKU-CPJSRVTESA-N 360.497 6.017 0 1 FKAF CCOc1ccc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)cc1 587633935 OYHKOFHZTUBBGM-UHFFFAOYSA-N 351.299 5.118 0 1 FKAF Cc1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1Cl 587782983 UXLZVVXDGNMGMB-UHFFFAOYSA-N 364.832 5.476 0 1 FKAF CC[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587812896 LSBLLSXMSMJPEB-YJYMSZOUSA-N 362.286 5.084 0 1 FKAF C/C(=C\c1ccccc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587815178 KKYFDESODJEERR-JQKKVZEESA-N 374.297 5.441 0 1 FKAF CC1=C([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CC=C1 587823768 RLFQDHZJXMUAIG-XIKOKIGWSA-N 364.302 5.466 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)c1 587933275 XFIYSRBXZXOODP-UHFFFAOYSA-N 370.330 5.028 0 1 FKAF COc1cccc(C2(c3nc4ccc5nc(C)ccc5c4[nH]3)CCCC2)c1 587933498 PPQATCNEAVYUCK-UHFFFAOYSA-N 357.457 5.288 0 1 FKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)C1 587969352 NIQXYDRXCGGBBW-RKDXNWHRSA-N 356.695 5.304 0 1 FKAF CC(C)=CCC/C(C)=C/c1nc2cc(Br)cc(Cl)c2[nH]1 587969584 ZWZIDBSCURJSSN-YRNVUSSQSA-N 353.691 6.129 0 1 FKAF Fc1cnc(Br)c2[nH]c(/C=C/c3cccc4ccccc34)nc12 587970184 ZNNUDYBNAHMXHP-CMDGGOBGSA-N 368.209 5.183 0 1 FKAF CN(CCc1cn(C)c2ccccc12)Cc1ccc(Oc2ccccc2)cc1 653727851 XPQXULVNJPNTCK-UHFFFAOYSA-N 370.496 5.645 0 1 FKAF Cc1cccc([C@@H]2[C@@H]3C(=NN2C)c2ccccc2O[C@@H]3c2ccccc2)c1 653893430 HITQDIVXKKINQX-QPTUXGOLSA-N 354.453 5.136 0 1 FKAF C[C@]1(c2ncc(Cl)cc2Cl)NCCc2cc(-c3ccccc3)ccc21 962666243 LNMPIHGEADTSEG-NRFANRHFSA-N 369.295 5.465 0 1 FKAF O=C(O)c1ccccc1Nc1cccc(Br)c1-c1ccccc1 1911574941 ORMANWZYAVCKFH-UHFFFAOYSA-N 368.230 5.558 0 1 FKAF CC1=C[C@@H](c2ccc3[nH]ccc3c2)[C@@](C)(C=Cc2ccc3[nH]ccc3c2)CC1 2356772509 AGXPNMMYDKKSMT-JYFHCDHNSA-N 366.508 7.193 0 1 FKAF CC(=O)Oc1ccc([C@H](c2ccc(C(F)(F)F)cc2)c2ccccn2)cc1 2382256334 CHDJGHUFHZZQPL-FQEVSTJZSA-N 371.358 5.206 0 1 FKAF COc1ccc([C@H]2C[C@](O)(c3ccccc3)Oc3c(C)ccc(C)c32)cc1 13661765 WYYQQTXSEYRJPH-ZJSXRUAMSA-N 360.453 5.072 0 3 FKAF CC(C)CNC(=O)/C=C/CCCCCCC/C=C/c1ccc2c(c1)OCO2 14658382 DBXHHZYPPITMCW-DCIPZJNNSA-N 371.521 5.488 0 1 FKAF Cc1[nH]c(-c2ccccc2)c(O)c1C(=O)O[C@H]1C[C@@H](C)CC[C@H]1C(C)C 19118689 PFCVPDHSSAWHDG-WBAXXEDZSA-N 355.478 5.313 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)CC(=O)O 40506139 UOLUHTRPMPNLOG-NMSFOHICSA-N 362.510 5.918 0 1 FKAF O[C@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1cccnc1 72185908 VUWPAFFNDUOCHC-SFHVURJKSA-N 363.766 5.038 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2cccc(Cl)c2)nn1 103193083 GCRYWJAOKMGDHG-UHFFFAOYSA-N 364.754 5.917 0 1 FKAF CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(COC(=O)/C=C\c3ccccc3)=C[C@@H]21 238777990 LSWGCBZTDVMNJK-XJWXPEDXSA-N 368.517 5.013 0 1 FKAF O=C1O[C@@H](c2cccc(Cl)c2)CC(O)=C1Sc1ccccc1Cl 299829065 HNHYZJLLAMGVGN-CQSZACIVSA-N 367.253 5.543 0 1 FKAF C=Cc1ccc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)cc1 586880674 PHUAEEDDXVBXAV-UHFFFAOYSA-N 353.450 6.150 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccccc3Cl)nc3ccc(O)c1c23 586985465 HVTBNLIKKQSABY-UHFFFAOYSA-N 357.796 5.472 0 1 FKAF Clc1cccc(/C=C\c2nc3cccc(Br)c3[nH]2)c1Cl 587055148 SPAGLINXZZPXJA-FPLPWBNLSA-N 368.061 5.803 0 1 FKAF Cc1ccc2c3c(c(C[C@@H]4C[C@H]5CC[C@H]4C5)cnc13)-c1ccccc1C2=O 587100863 PRYADSFISZHCMH-ULQDDVLXSA-N 353.465 5.733 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H]([C@@H]1CCOC1)CCC4)-c1ccccc1C2=O 587102323 VQXLBCHOPODEFD-HZPDHXFCSA-N 369.464 5.211 0 1 FKAF COc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Cl 587113592 NQICQXMLFYFDMP-JTQLQIEISA-N 368.786 5.590 0 1 FKAF Cc1ccc(NC2(c3nc4c(F)c(F)c(F)c(F)c4[nH]3)CCCC2)cc1 587236901 GZZJNDLZZKNOAY-UHFFFAOYSA-N 363.358 5.309 0 1 FKAF Cc1ccc(CCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1N 587249692 DJWXKROAECEINO-UHFFFAOYSA-N 359.498 5.390 0 1 FKAF COc1cccc(-c2cc(-c3ccn(C)n3)nc3c2oc2ccccc23)c1 587362437 FAOBRAALGZSCFY-UHFFFAOYSA-N 355.397 5.057 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](O)CCCCC3)c1 587365796 JZKLMQODRAKUIU-LJQANCHMSA-N 373.452 5.807 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(C)c4)cc1)[C@@H](C2)C3=O 587446460 WZZRFFLHJTWDMC-RDPSFJRHSA-N 356.421 5.159 0 1 FKAF O=C1C[C@H](c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 587501329 IJCRXKKYTIQYTF-GOSISDBHSA-N 357.247 5.034 0 1 FKAF O=C1C[C@H](c2ccc(Oc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587525339 RWDSKWXHNKQZHQ-XMMPIXPASA-N 370.448 6.064 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2cccc(Cl)c2)N1 587704075 RUNBOMPNMVQCGS-ZUZCIYMTSA-N 368.677 5.060 0 1 FKAF Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587815578 NUJJPQKFLNMBEB-YJYMSZOUSA-N 362.286 5.003 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(C)(C)C)(C2CC2)N1 587816310 WGVLHDJRZNDTCX-ZMZPIMSZSA-N 354.307 5.164 0 1 FKAF COc1cccc2c3c(cnc12)CCN[C@@H]3[C@@H](C)[C@H](C)CCC=C(C)C 963046495 JKNAEWOUNMDGAF-HYFFOGBASA-N 352.522 5.449 0 1 FKAF C[C@H]([C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356517144 YTNIUPZRMQLHNV-WKOKZOKJSA-N 372.641 5.446 0 1 FKAF CC(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC(C)=CC(=O)O)[C@H]2CCC=C(C)[C@]12C 2356555516 YAIZAZKACAHJDU-DUYZSDFPSA-N 362.510 5.138 0 1 FKAF O=C(NC1CCCC1)c1c(-c2ccccc2Cl)noc1-c1ccccc1 774502 YQSUITWVJSDUCO-UHFFFAOYSA-N 366.848 5.334 0 1 FKAF CCSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 1544679 XYNOMYGVSOXKJX-UHFFFAOYSA-N 350.553 5.618 0 1 FKAF CSc1ccccc1-n1cnc(-c2ccc(F)cc2)c1-c1ccncc1 3815717 NJBOQGZRBOSMCW-UHFFFAOYSA-N 361.445 5.462 0 1 FKAF CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21 13675381 ORTVDISIJXKUAV-FCHUYYIVSA-N 370.577 6.518 0 1 FKAF CCC[C@@]1(c2ccccc2)CC(=O)[C@@H]([C@@H](CC)c2ccccc2)C(=O)O1 18067270 NVJXNSJZXFPQQY-WPYKKVEZSA-N 350.458 5.008 0 1 FKAF COc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1 37858314 NCCBXUNIYZFBJX-UHFFFAOYSA-N 370.456 5.369 0 1 FKAF Cc1cc(Nc2nc(Sc3ccccc3Cl)nc3ccccc23)n[nH]1 38445191 NQFJXYKOQSRMCX-UHFFFAOYSA-N 367.865 5.210 0 1 FKAF CC[C@]1(C(=O)Nc2nccs2)CC2c3ccccc3C1c1ccccc12 40915327 QTPVFTICRYPNBH-AJTFCVKESA-N 360.482 5.159 0 1 FKAF Fc1ccc(OCc2ccc(Cl)c(Cl)c2)c(C2CCNCC2)c1 45283811 ROZQUSZIXUCKCC-UHFFFAOYSA-N 354.252 5.179 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cnc(C)c1 45358618 LIQHJFUFDAHGIS-SJORKVTESA-N 352.931 5.653 0 1 FKAF O=C(c1ccc(OC(F)(F)F)cc1)n1c2ccccc2c2ccccc21 64503279 OUDOUCVMPYTWJQ-UHFFFAOYSA-N 355.315 5.382 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 169324295 BAPMYIDMCWECAK-QGZVFWFLSA-N 370.577 7.385 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2[C@@H](C)CCC1 169332991 XOZQPDXSJUBMOT-OKZBNKHCSA-N 370.577 7.457 0 1 FKAF O=C(O)c1cccc(Cc2c[nH]c3cc(-c4ccc5cc[nH]c5c4)ccc23)c1 169348539 JPWLMUCXXLFQGI-UHFFFAOYSA-N 366.420 5.605 0 1 FKAF CSc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587012965 PHLPRDAKHSAETB-UHFFFAOYSA-N 366.309 5.048 0 1 FKAF Fc1cnc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 587015300 KVYXKTSHIHJZFM-UHFFFAOYSA-N 365.220 5.194 0 1 FKAF CSc1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587016228 SAPKMNUGZPDPNF-UHFFFAOYSA-N 357.891 5.729 0 1 FKAF COc1cc(/C=C\c2nc3ccccc3[nH]2)cc(Cl)c1OCC(C)C 587047174 SPPBSSYTKVMDNK-HJWRWDBZSA-N 356.853 5.430 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(C(C)(C)C)cc2[nH]1 587067211 YXTULCXZSIBSOI-UHFFFAOYSA-N 356.897 5.834 0 1 FKAF Cc1nccc2[nH]c([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587071324 KBXHPTWFEPBUDA-FIOCRVBZSA-N 372.299 5.939 0 1 FKAF Cc1cc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2c(C)n1 587128193 IILJDHDNABEXRA-UHFFFAOYSA-N 356.401 5.303 0 1 FKAF CC(C)(C)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587133699 AAMOCCWPMYVKKG-UHFFFAOYSA-N 354.372 5.373 0 1 FKAF Cc1ccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1Cl 587209342 NVPPNAPEAMBWGL-UHFFFAOYSA-N 355.868 6.629 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cccc(C)c3)c1)CC2=O 587477574 DFKQWWLNBPZHBC-XMMPIXPASA-N 372.464 6.027 0 1 FKAF Cc1cccc2c3c([nH]c12)[C@@]1(CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587527268 UJCFHALNKLLQBC-RUZDIDTESA-N 371.480 5.552 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2ccccc12 587600743 CBUVNINBFVCAKV-ZJSXRUAMSA-N 368.388 5.248 0 1 FKAF Fc1cccc2[nH]c(-c3ccccc3)c(-c3ccc(N4CCOCC4)cc3)c12 587637005 SMVZAIYJBXTEOZ-UHFFFAOYSA-N 372.443 5.478 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(F)c3)c(CC(=O)O)c2c1 587641027 IGCQBGPZVBHSAL-NSHDSACASA-N 359.828 5.768 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(F)F)c2)N1 587712595 BIDYVQDYUJWQMF-JDNHERCYSA-N 370.212 5.149 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc(Cl)c(Cl)nc4[nH]3)ccc2c1 587933976 CGCUUDXOJZDBNZ-SNVBAGLBSA-N 372.255 5.578 0 1 FKAF Clc1cnc2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1Cl 587949165 PKPZMAKQYUZAKR-UHFFFAOYSA-N 370.239 5.648 0 1 FKAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@@H]1c1ccc(C(C)C)cc1 653785864 CPDAPRPPEYQYRA-XMMPIXPASA-N 371.484 5.298 0 1 FKAF Clc1cccc2c1[C@@]1(CCC2)NCCc2cc(-c3ccccc3)ccc21 962673303 YFRGLISLXPEAGF-DEOSSOPVSA-N 359.900 5.733 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1c(F)cccc1C(F)(F)F 963098449 GVTIZRFTTKOADH-UGSOOPFHSA-N 353.334 5.094 0 1 FKAF Cc1cc2c(c(C)c1Cl)[C@@]1(CCO2)c2ccc(F)cc2C[C@@H]2CCCN21 963119833 ZPUVNDWYDSJCHS-HTAPYJJXSA-N 371.883 5.143 0 1 FKAF Cc1nc(C)c(-c2csc(Nc3c(C(C)C)cccc3C(C)C)n2)s1 1857535586 QJFUIQCTOHSJNO-UHFFFAOYSA-N 371.575 6.874 0 1 FKAF COC(=O)c1ccc(O)c(C[C@@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@]23C)c1 13431216 ABUPJXVKVVYCOX-QMHWCDLVSA-N 356.506 5.520 0 1 FKAF biogenic CCC[C@H](C)n1c(CC)nc2c(-c3cc(F)c(F)cc3Cl)ccnc21 13479615 PMPFVTNNBPTEQF-NSHDSACASA-N 363.839 5.953 0 1 FKAF CCC(=O)Nc1cc(-c2sc(CC)nc2-c2cccc(C)c2)ccn1 13673378 QVEWLQUEUPMWAW-UHFFFAOYSA-N 351.475 5.091 0 1 FKAF C=CSCC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 14947073 JOULMFUYVRNSJC-JZZBYWGLSA-N 356.531 5.254 0 1 FKAF CCCCC[C@@H](c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 22941637 JQEVLYWMVMKITJ-FDFHNCONSA-N 356.941 5.736 0 1 FKAF Oc1nc2ncc(Cl)cc2c(O)c1-c1cccc(Oc2ccccc2)c1 29339409 JQGCDTFSZQHKAL-UHFFFAOYSA-N 364.788 5.154 0 1 FKAF CC[C@H]1CCCCN1c1cc(Oc2ccc(-c3ccccc3)cc2)ncn1 34055147 SYZKPLMHLSQHRA-FQEVSTJZSA-N 359.473 5.705 0 1 FKAF CN(C)[C@H]1CC=C(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)CC1 34806259 BCUSKDWPXMSSRG-INIZCTEOSA-N 364.518 5.164 0 1 FKAF CCCCc1ccc(-c2nc(CN[C@@H]3C[C@H](C)CC(C)(C)C3)co2)cc1 72184353 VZFUQCHYHZGDMD-FXAWDEMLSA-N 354.538 5.989 0 1 FKAF C[C@H](c1cccc2ccccc12)N(C)Cc1ccccc1Br 96930048 JBDUFWKYBYZVGJ-OAHLLOKOSA-N 354.291 5.795 0 1 FKAF CC1(C)CC2=Nc3cc4c(cc3[C@@H](c3ccc(F)cc3)C2=C(O)C1)OCO4 102629499 JJHULZGYCISGOB-HXUWFJFHSA-N 365.404 5.405 0 1 FKAF Cc1ccc([S@@](=O)(=Nc2ccccc2)[C@@H](C(C)C)C(C)(C)Cl)cc1 102947010 DVFUUDXSWUKQSE-CYFREDJKSA-N 363.954 6.196 0 1 FKAF CC1(C)CCC(C)(C)c2cc([C@H](N=O)c3ccc(C(=O)O)cc3)ccc21 169715899 GKFYAIMWLFGXOX-LJQANCHMSA-N 351.446 5.590 0 1 FKAF CCCn1c2cc(OCc3ccccc3)ccc2c2cc[n+](CC)c(C)c21 299844549 DXVCLXYEKHICLC-UHFFFAOYSA-N 359.493 5.399 0 1 FKAF O=C(Nc1cccc(F)c1)Nc1nc(-c2cc3ccccc3o2)cs1 473084028 FGPNQGJVVXUPSZ-UHFFFAOYSA-N 353.378 5.339 0 1 FKAF Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1-c1cccc(C(F)(F)F)c1 474609157 ONDKDSGMHLQWMP-UHFFFAOYSA-N 370.296 6.090 0 1 FKAF C[C@H](Sc1ncccn1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586964236 ZSUZGCVTVJYYBJ-ZDUSSCGKSA-N 364.499 5.357 0 1 FKAF Cc1ccc2c3c(cc(-c4ccccc4Cl)nc13)-c1ccccc1C2=O 586992537 GZZYKZPUYCANJR-UHFFFAOYSA-N 355.824 6.075 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(F)cnc(Cl)c2[nH]1 587113538 MUFJQSGYTRPULR-QMMMGPOBSA-N 357.738 5.115 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4ccc(F)c(F)c4[nH]3)c(Cl)c2)cc1F 587144514 ADFZLKMPMVZPBW-UHFFFAOYSA-N 372.777 6.276 0 1 FKAF Fc1ccc(/C=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(F)c1 587151745 VNCPXZQQBGUYKM-XFFZJAGNSA-N 364.420 6.163 0 1 FKAF Cc1c(Cl)ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587227185 WFYNQJPPJHKHTI-INIZCTEOSA-N 363.889 5.281 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2cc(F)cc(F)c2[nH]1 587241617 ZIUBHFVOEJJHEI-UHFFFAOYSA-N 351.356 5.260 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3ccc(Cl)cc13)CC2=O 587462004 MIKLGQTZPLRYTM-OAQYLSRUSA-N 369.848 5.360 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C3CCCC3)s1)CC2=O 587495176 PQLYPMXUUZUIJN-SFHVURJKSA-N 356.487 5.770 0 1 FKAF Cc1cccc(OCc2nc3cc(Cl)cc(Br)c3[nH]2)c1C 587564196 NWRVTSMFRUFEFH-UHFFFAOYSA-N 365.658 5.175 0 1 FKAF CCc1cccc(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587819318 LRADIWHVTYLFBW-HXPMCKFVSA-N 362.286 5.083 0 1 FKAF CC(C)(C)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923134 PYLKHHXGWSTJLJ-UHFFFAOYSA-N 350.462 6.395 0 1 FKAF CC/C(=C/c1nc2cc(Br)c(C)c(C)c2[nH]1)c1ccc(C)cc1 587965554 BSHUKRDKVYDYEO-GDNBJRDFSA-N 369.306 6.201 0 1 FKAF CC(C)=CCC/C(C)=C\c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587969681 VDYBUWXKQWMMSK-XFFZJAGNSA-N 363.255 5.173 0 1 FKAF Cc1ccc([C@H]2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1 653886919 KGINFIUZDVTYIW-JOCHJYFZSA-N 370.452 5.122 0 1 FKAF Clc1cccc(-c2cnc(NCc3ccccc3)nc2-c2ccccc2)c1 1772575321 SLRMIPGUHVMYNR-UHFFFAOYSA-N 371.871 6.076 0 1 FKAF CO[P@@](=O)(c1ccc2oc(-c3ccc4ccccc4c3)nc2c1)C(C)C 1911583228 LXIGZCSQQSQXGJ-AREMUKBSSA-N 365.369 5.606 0 1 FKAF COc1ccc(Cl)c(Nc2cccc(-c3nc4ccccc4s3)c2)c1 1911584387 MNBUVQPYJYYGNY-UHFFFAOYSA-N 366.873 6.369 0 1 FKAF CCCC=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356616796 GWOQCGQDMPZUMP-ODXGNPGDSA-N 368.605 6.839 0 1 FKAF COC(=O)C[C@H](C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2C=C[C@@]1(C)OC 2356725482 GLCPAKRBJQFMMZ-XPMXXILHSA-N 350.543 5.390 0 1 FKAF CC1=C[C@@H](c2c(O)cc(C=Cc3ccccc3)oc2=O)[C@@H](C(C)C)CC1 2356729902 QNJUNTVTYKUFSX-WOJBJXKFSA-N 350.458 5.612 0 1 FKAF NCc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 2382244551 GUYPCGVXBGOSLK-UHFFFAOYSA-N 367.374 5.374 0 1 FKAF CCCCNC(=O)c1nc(-c2cc3ccccc3[nH]2)oc1-c1ccccc1 95569267 FUVMIYTYYYFULY-UHFFFAOYSA-N 359.429 5.020 0 3 FKAF CC(=O)c1ccccc1N[C@H](C(=O)Nc1c(C)cccc1C)C1CCCC1 206050974 AHAZRFVCDZFPLH-QFIPXVFZSA-N 364.489 5.115 0 3 FKAF c1ccc(CN2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1 1489879 DGLKVJXUWHYMSL-UHFFFAOYSA-N 366.508 6.215 0 1 FKAF in-vivo CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1CCc2cc(O)ccc2O1 13480723 WSTGHGHPTQPFAP-JMFFIKRNSA-N 368.561 7.285 0 1 FKAF endogenous,in-man Clc1sccc1CO[C@@H]1c2ccccc2S[C@@H]1Cn1ccnc1 13775754 UKMZBVLSJPDQFE-HZPDHXFCSA-N 362.907 5.030 0 1 FKAF CC(C)=CCc1c(O)c(CC=C(C)C)c(O)c(C(=O)c2ccccc2)c1O 14780686 DGDGUAUJFQUJRX-UHFFFAOYSA-N 366.457 5.052 0 1 FKAF biogenic,in-vitro c1ccc2c(c1)CCC[C@H]2CCCCN1CCN(C2CCCCC2)CC1 22931108 TVHNNUAZUKDSIT-JOCHJYFZSA-N 354.582 5.227 0 1 FKAF CC(=O)Oc1cccc(/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)c1 25975219 KXJVUJRSNJHQAA-IJXILNRDSA-N 350.502 6.654 0 1 FKAF Nc1nc2c(s1)CN=C(c1ccccc1Cl)c1cc(Cl)ccc1-2 25980637 PIDFBNDGTKAFMB-UHFFFAOYSA-N 360.269 5.050 0 1 FKAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCCC[C@H]1N(C)C 28240267 BFCJTKARVHSAAF-QZTJIDSGSA-N 371.352 5.389 0 1 FKAF Cc1ccc(O[C@H](CCCCn2ccnc2)c2ccc(Cl)cc2)cc1 40834570 BHLFIQPEMVZLPO-OAQYLSRUSA-N 354.881 5.836 0 1 FKAF O=C1N(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1(Cl)Cl 66258640 KNDFUCSACZHNGV-ZDUSSCGKSA-N 361.055 5.255 0 1 FKAF Cc1cc(N2[C@H](C)CC[C@H]2C)nc(CCCCCCCCCCO)c1O 95553748 AURFUKHLZFVZBD-RTBURBONSA-N 362.558 5.128 0 1 FKAF CCCOc1ccc(-c2nc(Oc3ccc(F)cc3)c3ccccc3n2)cc1 95771644 SPCSVMOTUCRSIK-UHFFFAOYSA-N 374.415 6.017 0 1 FKAF CC1=CCCC(C)(C)[C@H]1Cc1cc(/C=C\c2cc(O)cc(O)c2)ccc1O 95919299 MEWJXXAKBKFVOS-DYRFGFBLSA-N 364.485 5.899 0 1 FKAF biogenic,in-vitro Cc1ccccc1C(=O)N1CC[C@@H]2C[C@@H]1c1cc(-c3ccc(F)cc3)ccc12 102814906 DCGOZLNYERZUAM-NTKDMRAZSA-N 371.455 5.876 0 1 FKAF COc1cc(-n2c(-c3ccc(C)cc3)csc2=S)cc(OC)c1OC 103278336 IHADHQSLWMZNHM-UHFFFAOYSA-N 373.499 5.270 0 1 FKAF CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccs1 103997938 LNVKXGJWFCJTBI-FQEVSTJZSA-N 366.486 5.561 0 1 FKAF CC(C)=CCC/C(C)=C\CC/C(C)=C/COc1ccc(CCC(=O)O)cc1 146768021 GWEOLLCXJGXWOD-NXKVSJAESA-N 370.533 6.502 0 1 FKAF CC(C)CC(=O)Nc1ccc(-c2ccc(NC(=O)CC(C)C)cc2)cc1 169312942 QOOXGQNCRCNXHX-UHFFFAOYSA-N 352.478 5.323 0 1 FKAF O=C1Cc2ccccc2N1CCCCCCCN1CC[C@H]2CCCC[C@@H]2C1 299824738 BSBJKTRDMXTSGL-IFMALSPDSA-N 368.565 5.038 0 1 FKAF Cc1c(Br)cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1C 587042035 GXNMMTXGMILLJZ-HNNXBMFYSA-N 359.292 5.332 0 1 FKAF COc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1OC 587052147 WZQIFTQUORILMF-UWVGGRQHSA-N 363.244 5.158 0 1 FKAF Cc1ccc2c3c(cc([C@@H](C)CCCCC(=O)O)nc13)-c1ccccc1C2=O 587100354 HMHFVTDXAVCADU-AWEZNQCLSA-N 373.452 5.503 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC[C@@H]4C1(C)C)-c1ccccc1C2=O 587100914 PZORXQAFSOBCQJ-SSOJOUAXSA-N 353.465 5.930 0 1 FKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3ccccc3cc2[nH]1)C(C)(C)C 587203329 FOVATJXMSKGFIS-SFHVURJKSA-N 367.493 5.198 0 1 FKAF COc1cccc(-c2cc(-c3cnccc3C)nc3c2oc2ccccc23)c1 587362458 FMQAABSKHOYOGC-UHFFFAOYSA-N 366.420 6.027 0 1 FKAF COc1cccc(-c2cc(-c3cccnc3O)nc3c2oc2ccccc23)c1 587363920 QRVDJHURPKBWKZ-UHFFFAOYSA-N 368.392 5.424 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sccc1Oc1ccccc1)O2 587410867 QQSNZJBPCBBWRV-SFHVURJKSA-N 351.427 5.138 0 1 FKAF CCCCCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441691 LVUZTBAEVAESFY-XXBNENTESA-N 366.457 5.143 0 1 FKAF Cc1cc(Cl)cc2c(CC(=O)O)c(-c3ccc(F)c(Cl)c3)[nH]c12 587624909 WPHRJZZKWKBEJH-UHFFFAOYSA-N 352.192 5.216 0 1 FKAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl 587692043 JITBPPCTWWNRAO-BMLIUANNSA-N 368.677 5.174 0 1 FKAF CC(C)=CCC[C@H](C)C[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821020 SGPWAVAIHZAOOR-CKFHNAJUSA-N 368.334 5.936 0 1 FKAF CC[C@]1(Cc2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587850203 CPHYUHGCQAXDEF-PIGZYNQJSA-N 368.315 5.032 0 1 FKAF O=C(Cc1nc(-c2cccc(Cl)c2)cs1)Nc1ccc(Cl)cc1 587921411 WQETULTVTQRYGW-UHFFFAOYSA-N 363.269 5.298 0 1 FKAF Oc1c(Br)ccc2nc(/C=C\c3cccc4ccccc34)[nH]c12 587966427 CRLMMAYBYJHLSI-FLIBITNWSA-N 365.230 5.355 0 1 FKAF C1=C(c2ccccc2)CCC[C@@]12NCCc1cccc(-c3ccccc3)c12 962674442 XIRSDYLFMXGTDG-AREMUKBSSA-N 351.493 5.962 0 1 FKAF c1coc(CN2CCc3sccc3[C@@H]2c2ccc(-c3ccsc3)o2)c1 962709089 QWXMNTDPSMGONR-HXUWFJFHSA-N 367.495 5.810 0 1 FKAF CCCCCCOc1ccc(C(=O)CC[N@@]2C[C@@H]2C)c(Cl)c1Cl 1857742130 QPYPZIGCECYCFX-ZSEKCTLFSA-N 358.309 5.229 0 1 FKAF COc1cc(C=Cc2ccccc2)c(CC=C(C)C)c(O)c1CC=C(C)C 2356726294 UDCOTBRPMJGUKD-UHFFFAOYSA-N 362.513 6.589 0 1 FKAF CC[C@H](C)NC(=O)C=CC=CCCCCC=Cc1ccc2c(c1)OCO2 2356782388 DYIPBGULDOZWPD-SFHVURJKSA-N 355.478 5.016 0 1 FKAF COc1cc2cnc(-c3ccsc3)c(-c3ccc(F)cc3)c2cc1OC 36388749 UDOGJAJJAKSWBU-UHFFFAOYSA-N 365.429 5.787 0 3 FKAF O=c1c(-c2cccc(Cc3ccccc3)c2)c(O)[nH]c2cc(Cl)ccc12 837959 TXJNBHVQPGOFGA-UHFFFAOYSA-N 361.828 5.145 0 1 FKAF CC[C@@]12CCCN(Cc3ccccc3)[C@@H]1c1c(n(C)c3ccccc13)CC2 1630796 AYTQCCBUFYJHMJ-RPBOFIJWSA-N 358.529 5.858 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCS1 3610639 PZDFHHSXZRIAEF-LSDHHAIUSA-N 360.563 6.731 0 1 FKAF Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1ccsc1 13775761 UYXQTBRFIAGWTG-IAGOWNOFSA-N 362.907 5.030 0 1 FKAF CC(/C=C/[C@@H]1C[C@@]1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C\C(=O)O 26279474 HMDVFKHLXNHBGR-AANSNUBHSA-N 366.545 6.209 0 1 FKAF Cc1ccc(C)c(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 28712388 SVOZXKDYSSBXHB-UHFFFAOYSA-N 356.425 5.288 0 1 FKAF FC(F)(F)C(=C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 44005563 TUJFYIWSQPPEPR-UHFFFAOYSA-N 358.790 6.861 0 1 FKAF CCCCCc1nc(-c2cnc(NCC3CC3)nc2-c2ccco2)oc1C 82165555 WIGSYFKDYOQSPT-UHFFFAOYSA-N 366.465 5.255 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(Cl)c3)nc(-c3ccccn3)c2)c1 95553049 CFDNZNKNZBLYTH-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF Nc1c2c(nc3nc(-c4ccccc4)cc(C(F)(F)F)c13)CCCCC2 103168219 WDGPMSCKIAVOFM-UHFFFAOYSA-N 357.379 5.167 0 1 FKAF C[C@H](NC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl)c1ccc(Cl)cc1 103293198 NVXNDEOFVXDGNT-YVEFUNNKSA-N 368.691 5.033 0 1 FKAF O=C(Nc1cccc2c(Cl)nccc12)N[C@@H]1CC[C@H](c2ccccc2)C1 169704989 WXNWCQLDJQBJGZ-JKSUJKDBSA-N 365.864 5.346 0 1 FKAF O=c1cc(COc2ccccc2)occ1Oc1ccc(Cl)cc1Cl 473115007 QLWRAJPVAIUPIG-UHFFFAOYSA-N 363.196 5.318 0 1 FKAF Cc1cc(C)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 587042628 USDQJXJHTMXMJR-UHFFFAOYSA-N 356.516 5.237 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)sc(Cl)c1Cl)O2 587408419 BMIVTSXLFDEXEB-VIFPVBQESA-N 362.665 5.305 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(F)ccc(C)c1Cl)CC2=O 587466835 PASCXPMVEDHPLM-FQEVSTJZSA-N 362.828 5.326 0 1 FKAF CC[C@]1(c2cc(F)c(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502386 DKDLRZMBHPMOHZ-OAQYLSRUSA-N 360.375 5.253 0 1 FKAF O=C1C[C@@H](c2cccn2-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587510766 WCOAGAYKBAZSLA-QFIPXVFZSA-N 361.416 5.202 0 1 FKAF O=C1C[C@]2(CCC[C@@H](Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587528265 ZVRCWIZBLRSRBK-UQBPGWFLSA-N 360.497 5.702 0 1 FKAF Cc1c([C@@H](C)CN(C)C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626579 UNBLAHFSQFTPGE-QMMMGPOBSA-N 352.322 5.179 0 1 FKAF COc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2cc(Cl)c(F)cc12 587628884 SXWPJUIWLSYDSV-UHFFFAOYSA-N 367.207 5.183 0 1 FKAF Cc1c(CC(=O)c2ccc(C(F)(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 587630117 SPNISHLTEHRUSE-UHFFFAOYSA-N 369.745 5.713 0 1 FKAF CCc1ccc(Oc2ccc([C@H]3NCCc4c3sc(C)c4C)cc2)cc1 963022316 POOGTCLXLZSVOC-JOCHJYFZSA-N 363.526 5.955 0 1 FKAF O=C1N(c2ccccc2C(F)(F)F)O[C@@]1(c1ccccc1)C1CCCC1 36387694 QJMSPYGZEOTPPP-IBGZPJMESA-N 361.363 5.069 0 3 FKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(CCc2ccc(O)cc2)cc1O 13458935 HOBZNMDEKROCHT-CNHKJKLMSA-N 366.501 5.824 0 1 FKAF CC1(c2cc(-c3ccc(Cl)cc3)[nH]n2)CCN(Cc2ccccc2)CC1 13763872 UOIRCOOXVJGCIE-UHFFFAOYSA-N 365.908 5.284 0 1 FKAF O=C(CCCC1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 13834845 YGLNCBHSSRYARE-UHFFFAOYSA-N 374.883 5.910 0 1 FKAF CC(C)(C)c1ccc(-c2cc(Oc3ccc4c(c3)OCCO4)ncn2)cc1 14974047 YLZLCNQKKZEUTQ-UHFFFAOYSA-N 362.429 5.005 0 1 FKAF CCC(=O)C(CCCCCCc1ccc(OC(F)(F)F)cc1)C(=O)CC 32139013 DOMHUCZNVKDQJA-UHFFFAOYSA-N 372.427 5.653 0 1 FKAF CN[C@@H](C)c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1 40846011 FZIODVGUIQNDEG-VIFPVBQESA-N 364.194 6.085 0 1 FKAF COc1ccc(-c2nc3ccccc3c3c2-c2ccc(OC)cc2C3=O)cc1 45387767 VJQKOZYSCGOBGK-UHFFFAOYSA-N 367.404 5.130 0 1 FKAF Cc1cccc(CCc2cc(Br)c(O)c(Br)c2)c1 66080013 DKQNRGMHKCDTSF-UHFFFAOYSA-N 370.084 5.011 0 1 FKAF Cc1ccc2c(c1)-c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C 95604685 VOQLIELOBJLBMH-UHFFFAOYSA-N 374.524 6.463 0 1 FKAF CC(C)C[C@@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1CC[C@H]1C[C@@H]2CC[C@@H]1C2 101218264 SGIBUXSDRUUCRC-DODNOZFWSA-N 371.613 5.164 0 1 FKAF C[C@@]12C=C(/C=C\c3ccc(F)cc3)[C@@](C)(C1)[C@@H](c1ccc(F)cc1)CC2=O 169343769 MLERNJKRLAOFMP-PZOAXWDPSA-N 364.435 6.077 0 1 FKAF CC(=O)OC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C\CCC2=C[C@@H]1OC2=O 195099175 JRHSHBMAWLBQTD-DLMWIWOZSA-N 360.494 5.043 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(O)cc2[nH]1 587071416 KRHQTUURSOCMAP-FOFINAFOSA-N 373.283 5.941 0 1 FKAF Cc1ccc2c(ccc3[nH]c(-c4ccc(-c5ccccc5)c(Cl)n4)nc32)n1 587084310 XVFBWSURGOOPRP-UHFFFAOYSA-N 370.843 5.802 0 1 FKAF Cc1c(Br)ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587150392 DBQKGOPPYPGQJE-MNOVXSKESA-N 363.205 5.183 0 1 FKAF CCCCC[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352048 IDOXPMIJGCVLSY-IRLDBZIGSA-N 356.437 5.619 0 1 FKAF CCC[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358407 XVKBWXIDSMRYCS-IFMALSPDSA-N 356.437 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1Cl)(C1CCCC1)O2 587379077 RZZYIWPMPSXSRL-NRFANRHFSA-N 355.865 5.282 0 1 FKAF C[C@H](c1ccc(Cl)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587498290 FCLVNRCCTSQAMP-JLCFBVMHSA-N 354.877 5.746 0 1 FKAF CCOC(=O)c1c(-c2ccc(F)c(F)c2)[nH]c2ccc([C@H](C)CC)cc12 587639961 BARJVKNZPRBMRF-GFCCVEGCSA-N 357.400 5.803 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c([C@](O)(c3ccccc3)C(F)(F)F)c2c1 587641123 KAWPMDFSUODVJJ-ZUOKHONESA-N 361.407 5.788 0 1 FKAF CC1=C([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CCC1 587819477 IHRKTVSPINMECU-XIKOKIGWSA-N 366.318 5.690 0 1 FKAF CC1=C[C@@]2(CC(C)(C)C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587822698 MCKSQFLUGJBQSZ-SGTLLEGYSA-N 352.291 5.084 0 1 FKAF CC(C)[C@@]1(C)CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587822844 MTCNVNPYCUGBFB-OCBCSQNSSA-N 354.307 5.164 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3c(ccc4ncccc43)[nH]2)cc1 587932563 QDQKQOLUSGILTN-UHFFFAOYSA-N 351.409 5.454 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc4ccccc4cc3[nH]2)cc1 587935901 JUBITEOCPYBBHY-XMMPIXPASA-N 364.448 5.905 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCc3[nH]c4ccc(F)cc4c32)N1 962954050 XERDKOLEEIOWJT-MYYSRTQBSA-N 373.475 5.293 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1C(=O)c1cccc(Br)c1 963237632 YKJBYCSXXDAQEM-LIRRHRJNSA-N 372.306 5.030 0 1 FKAF Oc1ccccc1-c1cc(-c2ccc(Cl)cc2)nc2c1oc1ccccc12 1772633836 GUCPYBQOGUPMRU-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF CC=C(c1cc(Cl)ccc1OCc1ccc(Cl)cc1)n1ccnc1 1857561847 ZVFQEULPCBDSHC-UHFFFAOYSA-N 359.256 5.678 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)c3oc4cc(O)ccc4c3n2)c1 1857753858 RPYMFHDJSCKJOA-UHFFFAOYSA-N 353.377 5.726 0 1 FKAF CC1=CC[C@H](O)[C@@]2(C)[C@H]1C[C@H](C(C)C)C[C@H]2OC(=O)C=Cc1ccccc1 2356443214 DNSYTDAEXWUCHW-VZGLXOSZSA-N 368.517 5.011 0 1 FKAF O=c1oc(C2(O)CCCCC2)cc2ccc(/C=C/c3ccc(F)cc3)cc12 36388768 PHIIGMZXHBPWEP-SNAWJCMRSA-N 364.416 5.254 0 3 FKAF O=C1NC2=C(CCCC2)C2(CCCCC2)[C@@H]1CCCCNc1ccccc1 5899901 ABNPNSIEUONACM-OAQYLSRUSA-N 366.549 5.793 0 1 FKAF biogenic CC(C)C1=C[C@@]2(CC[C@](C)(NC(=O)NCCc3ccccc3)C2)[C@@H](C)CC1 35067172 IRQHDWSBLUHZPI-WDJPJFJCSA-N 368.565 5.470 0 1 FKAF COc1cccc(NCC[C@@]2(c3cccc(Cl)c3)CCOC(C)(C)C2)c1 72110043 FKCWGSMKEAULRK-JOCHJYFZSA-N 373.924 5.678 0 1 FKAF c1ccc(Oc2ccc(CNc3nccc4c3[nH]c3ccccc34)cc2)cc1 72176707 GRUPIJFRPIYSLP-UHFFFAOYSA-N 365.436 6.121 0 1 FKAF CCCc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1C[C@H](C)CC 82188764 FYLIQAVKTYXZGH-IAGOWNOFSA-N 365.525 5.041 0 1 FKAF C[C@@H]1CCCc2c1nc1[nH]c(=S)nc(N)c1c2-c1ccc(Cl)cc1 96906376 GOQOCVXVPKBGFP-SECBINFHSA-N 356.882 5.030 0 1 FKAF O=C(O)c1cc(Cl)ccc1Nc1ccc(-c2ccccc2Cl)nc1 113898634 UGGDDWOKSJBCGJ-UHFFFAOYSA-N 359.212 5.497 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)C[C@]34C)[C@@H]1CC=C2c1cncc(Cl)c1 169268551 SCYWSHPGQNUSDS-RSHGCQMNSA-N 371.952 5.742 0 1 FKAF CCN(CC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)cc2ccccc12 169336134 KEBRXDKFOCSISR-JOCHJYFZSA-N 353.893 5.535 0 1 FKAF Cc1ccnc2[nH]c([C@@H](Cc3cccc(Br)c3)CC(C)C)nc12 586981398 BFAUYYPSPMSMGH-OAHLLOKOSA-N 372.310 5.401 0 1 FKAF Cc1nc(C2CC2)sc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587012599 PVTBSILFPWIPQB-UHFFFAOYSA-N 368.687 5.288 0 1 FKAF Clc1cccc(COc2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)c1 587071537 OGJURGXZMSSJIS-UHFFFAOYSA-N 370.239 5.511 0 1 FKAF Cc1ccc2c3c(cc(-c4nccc5ccccc45)nc13)-c1ccccc1C2=O 587097201 MFDFRCQKGZVZKJ-UHFFFAOYSA-N 372.427 5.970 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc5ccccc45)nc13)-c1ccccc1C2=O 587099452 IYTBKJLRACHCEO-UHFFFAOYSA-N 371.439 6.575 0 1 FKAF Cc1cc2c(o1)CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587102348 WFUJDTATEIYOME-UHFFFAOYSA-N 351.405 5.422 0 1 FKAF O=C1c2ccccc2-c2c(CCOc3ccccc3)cnc3cccc1c23 587106654 MUHJSTNZSXLIQG-UHFFFAOYSA-N 351.405 5.068 0 1 FKAF Cc1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1C 587130351 SJSAWALIAGKKHE-QMMMGPOBSA-N 374.769 5.514 0 1 FKAF Cc1cc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br 587151043 PJAHROBXAGLSRG-VIFPVBQESA-N 367.193 5.052 0 1 FKAF COc1cccc(-c2cc(-c3cccnc3)nc3c2oc2ccccc23)c1 587363990 VETXFXBMMRMKKF-UHFFFAOYSA-N 352.393 5.719 0 1 FKAF COc1cccc(-c2cc(/C=C/c3ccco3)nc3c2oc2ccccc23)c1 587367668 YJFNAMKQFKPFNU-VAWYXSNFSA-N 367.404 6.420 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C)C[C@@H](C)C3)c1 587367826 XLEFYQXAJRAGMS-CABCVRRESA-N 357.453 6.342 0 1 FKAF CCC[C@]1(c2c(C)c3ccccc3n2C)CC(=O)c2cc(C)cc(N)c2O1 587391188 QBPFUWMKIZWPBH-HSZRJFAPSA-N 362.473 5.038 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587446356 VUPCPNXNTRLGBR-OFVILXPXSA-N 370.448 5.111 0 1 FKAF CCN1CCCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587511899 AGJSGWKPASKLFH-QHCPKHFHSA-N 361.485 5.044 0 1 FKAF CC(C)c1ccc(C[C@H](C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526780 SBYKUFLULOXSOQ-XDHUDOTRSA-N 362.513 5.901 0 1 FKAF CC(C)(C)C(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587629813 IYJVQRJNRSVKAU-UHFFFAOYSA-N 371.708 5.843 0 1 FKAF CCCCC1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587819936 XHPPKFUQVMVIET-CDJWAVJASA-N 368.334 5.698 0 1 FKAF CC(C)=CCC[C@@H](C)C[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820937 RJCSXVAHAWKDLS-KEYYUXOJSA-N 368.334 5.936 0 1 FKAF CSc1ccc(-c2csc(Cc3nc4ccccc4n3C)n2)cc1 587926481 ZOPMPSMZWBOOJP-UHFFFAOYSA-N 351.500 5.010 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c2)c1 587931223 GDOSKRVNBDZWSE-UHFFFAOYSA-N 372.468 5.909 0 1 FKAF C/C(=C/c1nc2cc(Br)cc(Cl)c2[nH]1)C1CCCCC1 587969519 YPXDHUPDGHKEFX-YFHOEESVSA-N 353.691 5.962 0 1 FKAF C[C@@H](Oc1ccc(CNc2cccc(C(=O)O)c2)cc1)c1ccc(F)cc1 1857564952 HYWMNVVALUODQL-OAHLLOKOSA-N 365.404 5.276 0 1 FKAF CC(C)=C[C@H]1C[C@](C)(C=Cc2ccc3cc[nH]c3c2)c2cc3[nH]ccc3cc21 2356341410 NYGKKNQYURXQIA-LVXARBLLSA-N 366.508 7.074 0 1 FKAF C[C@@H](CC1CCCCC1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13863331 VDNBNMMWEUVRCA-SFHVURJKSA-N 366.505 6.302 0 1 FKAF O[C@@H]1CCCc2nc3cc(Cl)ccc3c(NCc3ccc(F)cc3)c21 14946523 WUNJSFUQRGEAEJ-GOSISDBHSA-N 356.828 5.009 0 1 FKAF O=C(CCCNC1CCCCC1)N[C@H](c1ccccc1)C1CCCCC1 26385696 IECOIADFPAVSQZ-HSZRJFAPSA-N 356.554 5.127 0 1 FKAF CC[C@@H](/C=C/c1ccc(OC)cc1OC)c1ccc(Cl)cc1Cl 28566632 QPAICRCESWTDRO-GFUIURDCSA-N 351.273 6.218 0 1 FKAF COc1ccc([C@@H]2Sc3cc(Cl)ccc3-n3cccc3C2=O)cc1 29223506 GESKWBZWVZKXLH-IBGZPJMESA-N 355.846 5.169 0 1 FKAF Cc1cc(C2=C(c3ccc(Br)cc3)C[C@@H]3CC[C@H]2S3)on1 66251944 VFWWGMNGYMVIBX-XJKSGUPXSA-N 362.292 5.324 0 1 FKAF CCC[C@@]1(c2ccccc2)CC(O)=C(SCc2ccccc2)C(=O)O1 100363871 KBUFUWYZZGSWCK-NRFANRHFSA-N 354.471 5.332 0 1 FKAF CCCCCC[C@@H](COc1ccc(C(=O)OCC)cc1)Cc1ccccc1 103179064 AFIDCMYGVWOZJP-OAQYLSRUSA-N 368.517 6.071 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccccc2Cl)nn1 103293846 JOPSZJCMGODNIU-UHFFFAOYSA-N 363.770 5.868 0 1 FKAF Cc1ccc2c3c(n(CCCOc4ccc(Cl)cc4)c2c1)CCN(C)C3 169350492 MMSLNCVBNIPRAI-UHFFFAOYSA-N 368.908 5.060 0 1 FKAF O=N[C@@H]1CCc2cc(-c3cn(C4CCCC4)nc3-c3ccncc3)ccc21 169686098 KLVLOCJNJSWYTC-OAQYLSRUSA-N 358.445 5.481 0 1 FKAF CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2cccc(F)c2)s1 206864845 NXTJTZUPSMHNRC-HXUWFJFHSA-N 366.461 5.216 0 1 FKAF CCCCc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c(C)c1 473249350 VDGRESQSNAMFDC-UHFFFAOYSA-N 366.452 6.165 0 1 FKAF c1ccc(Sc2ccc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)cc1 586888694 LQMGDXQKTQLCCX-HYBUGGRVSA-N 368.505 6.086 0 1 FKAF CCc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586990311 BAGNDNGGXPYUBH-UHFFFAOYSA-N 351.405 5.381 0 1 FKAF Cc1cc(Cl)cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587017324 JHPTYHLIZUGOME-UHFFFAOYSA-N 367.861 5.250 0 1 FKAF Cc1c(Br)ccc2nc([C@@H]3SCCc4sccc43)[nH]c12 587037332 UBAXPIXGKMCXBW-CQSZACIVSA-N 365.321 5.074 0 1 FKAF Cc1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2n1 587048543 XCVOTZDXAFRTFH-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF FC(F)(F)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587055200 UOHAIVDZBLWBAS-QPJJXVBHSA-N 357.162 6.059 0 1 FKAF CCn1ncc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)c1C 587095993 AVHHHWHVGVKDOJ-UHFFFAOYSA-N 367.452 5.255 0 1 FKAF CC(=O)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587125803 RNIBFLVHKLKLAK-RUDMXATFSA-N 362.376 5.548 0 1 FKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]3C[C@@H]2C[C@@](Cl)(C3)C1 587497273 INYQEGYEISMACE-WGABNGDZSA-N 356.893 5.087 0 1 FKAF Cc1ccc(-c2cncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587515446 NWRRSEJBRXRFED-XMMPIXPASA-N 369.464 5.642 0 1 FKAF CCOc1ccc([C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525769 RXQMOCDOUJJRIT-DEOSSOPVSA-N 362.469 5.235 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587564282 HSQCUJHIJBKCGU-UHFFFAOYSA-N 363.288 6.136 0 1 FKAF Fc1ccc2[nH]c(-c3ccccc3)c(-c3ccc(Cl)cc3)c2c1Cl 587628473 LLXQHQIAOOCRSY-UHFFFAOYSA-N 356.227 6.948 0 1 FKAF CCOc1ccc(-c2[nH]c3cccc(F)c3c2-c2ccc(Cl)cc2)cc1 587632692 HWHBGHRABZUEFI-UHFFFAOYSA-N 365.835 6.693 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(OCc3ccccc3)c2c1 587642412 NLMFKLAUNGOPNQ-KRWDZBQOSA-N 373.471 7.067 0 1 FKAF Cc1c(Cl)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587697394 VZIMREHUIYUILX-VVVCHXIZSA-N 368.677 5.174 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](C3CCCC3)C2)N1 587816806 DLAGEVMIRHJYSL-SPKLELGKSA-N 366.318 5.308 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCc3ccccc32)N1 587817172 IZKLLBLJWPFWSI-RNODOKPDSA-N 374.297 5.092 0 1 FKAF CCC[C@@H]1CC(C)=C[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587818965 TWOQRMZOBMAFEW-KSMMKXTCSA-N 366.318 5.474 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2Cl)N1 587848064 ZDCVGIZIHMYICT-VXJOIVPMSA-N 374.706 5.101 0 1 FKAF CCCOc1cc2nc(Cc3cc(C)ccc3C)[nH]c2cc1Br 587959214 MSRHLVWAGREOIN-UHFFFAOYSA-N 373.294 5.322 0 1 FKAF Cc1cc2c(cc1F)[C@](c1ccccc1)([C@@H](c1ccccc1)C(C)C)NCC2 962294035 ARTPCAMHWXEGQE-CLJLJLNGSA-N 373.515 5.963 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3Cl)c3oc4ccccc4c3n2)c1 1772613071 KIDFEGYVTLVGJW-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF COC(=O)C[C@H](C)CC[C@@H]1[C@](C)(OC)CC[C@H]2C(C)(C)CCC[C@]21C 2356581596 BVVBLULWDBBBND-LIRZLWQOSA-N 352.559 5.614 0 1 FKAF CO[C@@](C)(CCC=C(C)Cc1cc(C)co1)[C@@H]1Cc2cc(O)c(C)cc2O1 2356730099 GSAYAGNITKAJHN-GOTSBHOMSA-N 370.489 5.280 0 1 FKAF COc1ccccc1CCn1cnc(-c2ccc(Cl)cc2)c1CC(C)C 95598671 DWLWKWKERSPCJP-UHFFFAOYSA-N 368.908 5.653 0 3 FKAF C[C@@]12CCC3=C(CSC4=C3CSc3ccccc34)C1=CCCC2=O 5845564 ZUQQCKGJXYPCIS-OAQYLSRUSA-N 352.524 5.636 0 1 FKAF C[C@]1(c2ccccc2)OC(=S)Nc2ccc(-c3cccc(Cl)c3)cc21 13488873 YBBTTYFZWTXGQD-OAQYLSRUSA-N 365.885 5.998 0 1 FKAF Fc1ccc([C@H](Oc2ccc(Cl)c(Cl)c2)[C@@H]2CCCNC2)cc1 13530766 XWBPISXEMVNFRZ-ACJLOTCBSA-N 354.252 5.252 0 1 FKAF CCNc1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1 13860318 GFRGFSYBPJTOJF-UHFFFAOYSA-N 351.841 5.020 0 1 FKAF Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3cccc4ccccc34)[nH]c2c1 13862743 XWGNKABGVNJFEL-WOJBJXKFSA-N 362.423 5.542 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)CC(F)(F)F 25994273 JXJKPSPTRKXBBX-DOFZRALJSA-N 370.499 7.654 0 1 FKAF CC1=CC[C@@H]2[C@H](C1)c1c(O)cc(C=C=CCCCC(=O)O)cc1OC2(C)C 27748003 CCDFPCRJFJIHKU-DJSPICASSA-N 368.473 5.426 0 1 FKAF c1ccc(CCN2CCC3=C(C2)[C@H](c2ccccc2)c2ccccc23)cc1 28263092 FLNPBFBYQVNSIL-AREMUKBSSA-N 351.493 5.534 0 1 FKAF CC[C@@H](c1cccc(Oc2ccccc2)c1)n1c(C(=O)OC)c[nH]c1=S 28336190 AHJKRBNNDJSDMP-KRWDZBQOSA-N 368.458 5.124 0 1 FKAF CC(C)(C)c1cc(-c2nc3ccc(C(=N)N)cc3o2)c(O)c(C(C)(C)C)c1 29333180 LSPZFZJLIDOKRT-UHFFFAOYSA-N 365.477 5.079 0 1 FKAF c1ccc2sc(Oc3ccc(OCCN4CCCCCC4)cc3)nc2c1 40919150 JDZUDVCYJPNUKO-UHFFFAOYSA-N 368.502 5.343 0 1 FKAF in-vivo Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccco3)c(-c3ccccc3)c12 45393773 UKJKRVMVVBQEQZ-UHFFFAOYSA-N 370.360 5.339 0 1 FKAF CCO[C@@H](c1ccccc1Cl)[C@H](SC(C)(C)C)n1cnc(C)c1 45393812 GMYJUCDCAUXRBZ-IRXDYDNUSA-N 352.931 5.653 0 1 FKAF CCc1ccc([C@@H](Nc2cc(F)c(F)c(F)c2)[C@@H]2CCCCC2=O)cc1 66262509 GDZPAIJJZDKKON-IIBYNOLFSA-N 361.407 5.579 0 1 FKAF Clc1ccc(CNCCCNc2nc3ccccc3s2)c(Cl)c1 84632476 RPPIHZBCNWZNID-UHFFFAOYSA-N 366.317 5.195 0 1 FKAF Fc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc4ccccc4c3)C2)cc1 95581461 HZSFWOABFOFUGI-RUZDIDTESA-N 366.439 6.335 0 1 FKAF COc1ccc([C@H]2CC3=Nc4ccc(F)cc4SC3=C(O)C2)cc1OC 100796305 NKUKURNSCKFLTA-LBPRGKRZSA-N 371.433 5.368 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(F)(F)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 141911298 DFGLPELJDUAWTE-DEKZOMOFSA-N 371.515 6.753 0 1 FKAF Cc1cc2cc(OC(=O)c3ccc(Cl)cc3)cc3oc(C)cc(n1)c23 169350127 IYBGZGRAWYTANR-UHFFFAOYSA-N 351.789 5.470 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2c1cccnc1 253634360 MXMFCEUTOXUVHB-KMDQZSAOSA-N 351.534 5.489 0 1 FKAF Cc1c(Cl)ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587017161 HKZDRXDJNGXCLH-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF FC(F)(F)c1ccc2ncc(-c3nc4ccc5ncccc5c4[nH]3)cc2c1 587111225 BHTYBSKBXGAVEQ-UHFFFAOYSA-N 364.330 5.345 0 1 FKAF Fc1ccc(/C=C/c2nc3cc(Cl)cc(Br)c3[nH]2)c(F)c1 587149193 NABZPVUSBZVPIG-DUXPYHPUSA-N 369.596 5.427 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(OC)c(C)cc4[nH]3)c2)c1 587159999 BFXAVWKZDZRSLW-UHFFFAOYSA-N 362.404 5.362 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587160884 HSHJZRWCCFVJEK-OLZOCXBDSA-N 352.356 5.585 0 1 FKAF Fc1ccc2[nH]cc(Cc3nc4ccc(SC(F)(F)F)cc4[nH]3)c2c1 587173922 AQURTSDIYGCPCC-UHFFFAOYSA-N 365.355 5.386 0 1 FKAF CC(C)=CCC/C(C)=C\CC/C(C)=C/CCc1cc2c3c(cccc3n1)CC2 587212482 AYORMXQIVNZSBA-FDZQEPEBSA-N 373.584 7.685 0 1 FKAF C[C@@H]1CC(C)(C)C[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351435 JUBPTJCRGDKIPQ-ZTWLPKFNSA-N 368.448 5.475 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(Cl)c1OCC)CC2=O 587459169 GJGDRNNXFIYBSA-GOSISDBHSA-N 360.837 5.103 0 1 FKAF CCCCCCC1(CCCCCC)CC(=O)c2ccc(O)c(CCC)c2O1 587478296 BRZVWEQOIDZQBU-UHFFFAOYSA-N 374.565 6.990 0 1 FKAF CC(C)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn12 587518618 MOHNSTRVGPUZRP-FQEVSTJZSA-N 360.457 5.043 0 1 FKAF O=C1C[C@@H](c2ccc(-c3cccs3)cc2)Oc2c1ccc1c2CCCC1 587532403 QLIUAFTYHDFTCM-NRFANRHFSA-N 360.478 6.000 0 1 FKAF CCc1[nH]c2ccc([C@H](C)CC)cc2c1-c1ccccc1Br 587639421 VPKPKIGGQJPYIK-CYBMUJFWSA-N 356.307 6.673 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c([C@H]3COCCN3C(=O)OC(C)(C)C)c2c1 587642060 JCKGGUVNHATNEP-IFXJQAMLSA-N 372.509 5.298 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CCCC[C@@H]3C2)N1 587817522 LLCQAPOIFPFIAY-ZYKCCNLVSA-N 366.318 5.308 0 1 FKAF CC(C)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587818409 CZDJMZRDNKPUNA-UVBSCNOISA-N 354.307 5.164 0 1 FKAF Cc1ccc(/C=C\[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587819153 LMGDWVGJDCLFFE-PECUUCPUSA-N 360.270 5.185 0 1 FKAF CCCC/C=C/C=C\[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587820986 SACRZIAMGJHMFR-RTVKLKCZSA-N 352.291 5.466 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Cl)cc1 587857045 ZSOCNXMYSSVOAF-UHFFFAOYSA-N 367.663 5.898 0 1 FKAF COc1ccc(Br)c(-c2nc(-c3ccc(C)c(C)c3)cs2)c1 587921102 SNXHHXOPJFZUGZ-UHFFFAOYSA-N 374.303 5.865 0 1 FKAF Brc1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587961615 MAXYNPBKPFGTTK-UHFFFAOYSA-N 363.258 5.583 0 1 FKAF Cc1c(F)ccc2c1[C@](C)(c1ccc3ccccc3c1OC(F)F)NCC2 962297569 JWHKDXQMZFSNDV-QFIPXVFZSA-N 371.402 5.298 0 1 FKAF Clc1ccccc1C1CC2(C1)NCCc1cc(-c3ccccc3)ccc12 962661612 JZGJJCXMHKRCFZ-UHFFFAOYSA-N 359.900 5.926 0 1 FKAF Clc1c(OCc2ccc3ccccc3c2)ccn2c(CC3CC3)nnc12 1772621153 HKCWMFRSAOXRPW-UHFFFAOYSA-N 363.848 5.067 0 1 FKAF c1ccc(-c2cc([C@@H]3COC4(CCCCC4)O3)n(C3CCCC3)n2)cc1 1857571782 FIMMKGFSAHCTFC-NRFANRHFSA-N 352.478 5.414 0 1 FKAF CCN(CC)CCC[C@@H](C)N=c1cc[nH]c(C=Cc2ccc(Cl)cc2)c1 2356332450 FIDFDSHBKIWNIN-GOSISDBHSA-N 371.956 5.250 0 1 FKAF CC[C@H](C)C(C)=C[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@H]4[C@H]3CC[C@H]12 2356727167 IUQROLUCBKYILE-ZXNJWCDKSA-N 370.621 6.775 0 1 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccccc1)Oc1ccccc1-3 13777087 KGVGNTCIQIYLQU-XMMPIXPASA-N 353.465 6.443 0 1 FKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C 14614625 GJQWMFNAGHAFDW-BJCOZNNUSA-N 370.621 7.207 0 1 FKAF biogenic Clc1ccc([C@H](CC2CCCCC2)Nc2nc3ccccc3o2)cc1 28004225 VZGBCEVPTGCABR-IBGZPJMESA-N 354.881 6.605 0 1 FKAF CCNC(=O)OC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)OC(C)C 29306251 IFCKGYGEQKFFKE-DLFXNDETSA-N 367.530 5.162 0 1 FKAF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1Cl 40950250 LUAYMZFBWUUKQX-UHFFFAOYSA-N 374.315 6.127 0 1 FKAF Fc1ccc(Cn2c3ccccc3c3ccnc(Br)c32)cc1 64235644 IEIYPUAGIOYCQJ-UHFFFAOYSA-N 355.210 5.139 0 1 FKAF CCCCCn1c(C(C)C)nc2c(NCc3ccc(C)cc3)ncnc21 82179353 UVXKCGZRODZOKF-UHFFFAOYSA-N 351.498 5.060 0 1 FKAF O=C(O)c1ccc2c(c1)nc(Nc1ccc3[nH]ccc3c1)c1ccsc12 167765628 JXXNNIZVUOPKCG-UHFFFAOYSA-N 359.410 5.373 0 1 FKAF NC1=NC[C@H](C23C[C@H]4C[C@@H](CC(C5CCCC5)(C4)C2)C3)N1C1CCCCC1 169325440 IEZABFUTLUYFIN-JVDQWIMOSA-N 369.597 5.095 0 1 FKAF CCn1c2ccccc2c2cc(C(=O)c3cccc4c3CCCN4)ccc21 205445261 CAPGOOUKYLFHTE-UHFFFAOYSA-N 354.453 5.404 0 1 FKAF Cc1ccc2c3c(cc(C(F)(F)C(F)(F)F)nc13)-c1ccccc1C2=O 586994329 YERPAKORZTUOGI-UHFFFAOYSA-N 363.285 5.409 0 1 FKAF FC(F)(F)c1c(Br)ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c12 587093746 SKPUCELGOIFWTK-WHFBIAKZSA-N 373.094 5.010 0 1 FKAF Cc1ccc2c3c(c(CC(C)C)c(C(C)(C)C)nc13)-c1ccccc1C2=O 587099707 SUPQJNWIZVXNHC-UHFFFAOYSA-N 357.497 6.251 0 1 FKAF Cc1cc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(O)c1 587100883 IMNFITWIDMETOP-UHFFFAOYSA-N 365.432 5.744 0 1 FKAF FC(F)(F)c1cccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587114025 UBTUMAWQRSFLOK-UHFFFAOYSA-N 354.331 6.041 0 1 FKAF Fc1ccc2c(c1)C[C@H](c1nc3ccc(Sc4ccccc4)cc3[nH]1)O2 587173828 JUUXNLNMMDDVAY-HXUWFJFHSA-N 362.429 5.529 0 1 FKAF CC(C)(C)c1cccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 587242475 MGCIDZOLYNSQKQ-UHFFFAOYSA-N 357.457 5.977 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@@H](C)CC)cc1)CC2=O 587484815 NRVDXXLIJHOILY-QKKBWIMNSA-N 354.446 5.229 0 1 FKAF O=C1C[C@@H](c2c(O)[nH]c3cccc(Cl)c23)Oc2c1ccc1c2CCCC1 587496944 CTCRRGFFRASBBS-KRWDZBQOSA-N 367.832 5.112 0 1 FKAF Nc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587511269 OLJXJIXNDLYDJK-QFIPXVFZSA-N 359.425 5.114 0 1 FKAF CCCCC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600939 CBUHXNCRDYAYBJ-UKAYHFCDSA-N 366.457 5.473 0 1 FKAF CCCC[C@H](CC)C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604563 WUXWGGZRVYPWID-BEVDRBHNSA-N 354.446 5.329 0 1 FKAF CC(C)(C)[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587605353 ZDPFNLRRISDXNP-SFYKDHMMSA-N 366.457 5.329 0 1 FKAF CC(C)Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(Cl)cc1Cl 587629073 ZJPLNXLDCTZENV-UHFFFAOYSA-N 370.682 7.133 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)N(C)Cc3ccccc3Cl)c2c1 587640642 HMQUSIPXCAKLMK-AWEZNQCLSA-N 368.908 5.915 0 1 FKAF CCCC[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587818888 GEWBIGIUHPYECB-WPKBUWHJSA-N 354.307 5.308 0 1 FKAF CC/C=C/CCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587819078 KTUHDJXXXMXREH-HVZCNGIVSA-N 354.307 5.690 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CC[C@@H](C)C[C@H]2C(C)(C)C(C)C)N1 962949490 FVWVVMKDDQWLFK-DPCXZWJJSA-N 366.593 6.406 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1C1(CCC(N)=S)CCCCC1 963232340 RLGNYHITTUPUIZ-LAUBAEHRSA-N 358.595 5.401 0 1 FKAF Cc1cccc2nc(-c3cccc(NC(=O)CCCc4ccccc4)c3)[nH]c12 1911581606 NTROMPLHPUUKSF-UHFFFAOYSA-N 369.468 5.500 0 1 FKAF CCC=C(C)C[C@H](C)C(=O)[C@H](C)C1=C(C)[C@H]2O[C@@](CC)(O1)C(C)=C[C@@H]2C 2356553977 NXFSSBOUIVVCNL-TWOXRDSKSA-N 360.538 5.966 0 1 FKAF O=C(CN1[CH]C=CC=C1c1ccccn1)c1ccc(-c2ccccc2)cc1 2356836593 VAGGHBRAJZTEOZ-UHFFFAOYSA-N 351.429 5.006 0 1 FKAF CS(=O)(=O)c1ccc(-c2oc3ccccc3c2-c2ccc(F)cc2)cc1 3814579 LTVLTXKJASKRMD-UHFFFAOYSA-N 366.413 5.309 0 1 FKAF 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)C3=CC[C@@]21C 4429125 NAQKYJIFPBOOOQ-SGYHMBJRSA-N 374.565 5.427 0 1 FKAF CC(C)(C)NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccccc1)N2 13153435 WKJWFESSCHFAQW-PFMQYRJWSA-N 374.528 5.511 0 1 FKAF CC(C)=C(/C=C/C(C)=C/C(=O)O)c1cc2c(cc1C)C(C)(C)CCC2(C)C 13743086 KFJQUPNADUACOF-QDNZWQKDSA-N 366.545 6.725 0 1 FKAF CCc1ccc2c(Cc3ccc(Cl)cc3)ccc([C@H](C)C(=O)O)c2c1 26648847 JYYLWANQIKFDGF-AWEZNQCLSA-N 352.861 5.835 0 1 FKAF CCN(C(C)C)[C@H](C)CCCCCNc1cc(OC)cc2c(C)ccnc12 28111228 RLEKTIUGPADSKD-LJQANCHMSA-N 371.569 5.643 0 1 FKAF CCCC[C@H](C)Oc1c(OC)cc(N[C@H](C)CCCN)c2ncc(C)cc12 28218525 BZXQSWWSPPMCCV-SJORKVTESA-N 373.541 5.049 0 1 FKAF CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2Cl)nc1OC 34337769 AUDZLQBYKYSLAE-UHFFFAOYSA-N 368.308 5.394 0 1 FKAF C[C@H]1CC[C@H]2[C@H](C1)c1c(O)cc(-c3cc4ccccc4o3)cc1OC2(C)C 38697924 HCVQRSCZRRQWTK-WBAXXEDZSA-N 362.469 6.496 0 1 FKAF CCNC(=O)/C(C(=O)O)=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C 40465807 BOPGZYTZIJQPIR-PPNLBOGDSA-N 371.521 5.109 0 1 FKAF CC(C)N(CCC(=O)c1cc(Cl)sc1Cl)Cc1ccccc1 45392444 QCXVAHJZMRAHIX-UHFFFAOYSA-N 356.318 5.538 0 1 FKAF Cc1ccccc1C(=O)N1CC[C@@H]2C[C@H]1c1cc(-c3ccc(F)cc3)ccc12 61942340 DCGOZLNYERZUAM-DVECYGJZSA-N 371.455 5.876 0 1 FKAF CC[C@@H](C)c1ccc(-n2c(=S)oc3cc(Cl)ccc3c2=S)cc1 64559531 HTTRHGFVKVLQOT-LLVKDONJSA-N 361.919 6.849 0 1 FKAF CCCCCCN(CCCCCC)C(=O)c1coc(-c2ccccc2)n1 72118314 IRHKSTVAAQYZHQ-UHFFFAOYSA-N 356.510 5.944 0 1 FKAF NCCS[C@](Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1 84653508 VEENITYNLWXOSY-JOCHJYFZSA-N 367.945 5.518 0 1 FKAF Cn1cc([C@@H](Nc2nc3ccccc3s2)c2ccccn2)c2ccccc21 95560523 QMZCDCCHKHSIPH-OAQYLSRUSA-N 370.481 5.385 0 1 FKAF CCCCCSc1nc2n(n1)[C@@H](c1cccs1)C1=C(O)CCCC1=N2 103950279 APTUZCYKGFGWLT-INIZCTEOSA-N 374.535 5.293 0 1 FKAF COc1ccc(CN(C)CCCn2c3ccccc3c3ccccc32)cc1 166540081 FWBPFDAIENNKOT-UHFFFAOYSA-N 358.485 5.325 0 1 FKAF CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCCC(C(C)C)=C1CCC(C)C 263620426 FMJPOOLCNCUSEB-QBSSGBIUSA-N 356.550 7.019 0 1 FKAF in-vitro Cc1cccc(-c2ccccc2)c1-c1nc2cc3c(cc2[nH]1)OCCCO3 586878554 JORWICPYCWFXRJ-UHFFFAOYSA-N 356.425 5.367 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(F)cc4Cl)nc13)-c1ccccc1C2=O 586995101 HZNMASUWKAUHGM-UHFFFAOYSA-N 373.814 6.214 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4c(Cl)ccnc4[nH]3)c2o1 587003395 JIJHPGYQJQEGBT-UHFFFAOYSA-N 362.614 5.095 0 1 FKAF Cc1c(Br)ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587026090 RFUVRWPPRFENNW-UHFFFAOYSA-N 369.287 6.029 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc[nH]c(=N)c2[nH]1 587070205 GOIPUQKQNOJQCA-PQEBEJDBSA-N 373.287 5.043 0 1 FKAF Cc1ccc2c3c(cc([C@@]45C[C@@H]6C[C@H]4C[C@@H](C6)C5)nc13)-c1ccccc1C2=O 587099671 ROXISFKRLIKZBS-IRMIQWTQSA-N 365.476 5.832 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H](C(=O)C(C)C)CCC4)-c1ccccc1C2=O 587100045 DXLQVZBXHPBIBF-LJQANCHMSA-N 369.464 5.400 0 1 FKAF CC(C)Oc1cc2[nH]c(-c3ccc(CN=O)cc3)nc2cc1Br 587190242 LJEPNHGFJKKMAB-UHFFFAOYSA-N 374.238 5.046 0 1 FKAF CCCCc1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587389386 HYLRKLXLLZNULG-HSZRJFAPSA-N 374.484 5.417 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4Cl)o1)[C@@H](C2)C3=O 587421593 USRLOUZQHJVGQU-QKKBWIMNSA-N 366.800 5.097 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1c1ccc(F)cc1)CC2=O 587471644 LSWKJPJGWNJJTC-XMSQKQJNSA-N 354.421 5.156 0 1 FKAF CC(C)(C)c1cc(O)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587532696 MYMSBDHGMQCZAH-NRFANRHFSA-N 350.458 5.275 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]1CCCC[C@@H]12 587601680 FIMPKSFVDKCJSB-UWTPZGIJSA-N 364.441 5.083 0 1 FKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cccc(Cl)c1 587621670 HDNGEDLNZHIUEY-UHFFFAOYSA-N 360.642 5.436 0 1 FKAF O=C(c1ccc(Br)cc1)c1c(C(F)F)[nH]c2cc(F)ccc12 587633885 MXPQMDRDRLRUMF-UHFFFAOYSA-N 368.152 5.238 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(C(C)=O)c2c1 587638685 IPGJBBFRSNLBGY-GFCCVEGCSA-N 370.290 6.314 0 1 FKAF CCC[C@@H]1CC(C)=C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587820246 ZHZKBTVBDFUOBL-LPMFXHHGSA-N 366.318 5.474 0 1 FKAF N[C@@H](N=O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587950210 QJRQIIPGNHMPLC-SDNYCIMKSA-N 370.412 5.249 0 1 FKAF C(=C/c1ccccc1Oc1ccccc1)\c1nc2cc3ccccc3cc2[nH]1 587951341 YPSMLIZKMNGZOZ-CCEZHUSRSA-N 362.432 6.679 0 1 FKAF Cc1cc2c(c(C)c1Cl)[C@]1(CCO2)c2ccc(F)cc2C[C@@H]2CCCN21 963119836 ZPUVNDWYDSJCHS-JTSKRJEESA-N 371.883 5.143 0 1 FKAF C/C=C1/CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](N5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772589651 GJVKKAUAEKPRDC-HRBVNVOOSA-N 369.637 6.830 0 1 FKAF Cc1cc(Oc2nccc3ccsc23)ccc1-c1c(C)ncc2nccn12 1857565098 KJUJMQIFFDWSBH-UHFFFAOYSA-N 372.453 5.415 0 1 FKAF COc1cc(C(C)C)c(C(=O)CSc2nc3ccccc3s2)cc1C 1857569419 MHNUQRXDXHJLRF-UHFFFAOYSA-N 371.527 5.712 0 1 FKAF O=C(O)c1cc(-c2ccc(-c3cccnc3Cl)cc2)nc2ccccc12 1857755964 XJOJFRCSTAFMFK-UHFFFAOYSA-N 360.800 5.315 0 1 FKAF CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356389560 ZGWAMLWWZPWUEI-YDBCCJLQSA-N 356.550 5.750 0 1 FKAF Clc1ccc([C@H]2[C@@H]3COc4ccccc4C3=NN2c2ccccc2)cc1 5822819 FMMCIVXQBOSDGP-KNQAVFIVSA-N 360.844 5.314 0 1 FKAF CC1=CC[C@H]2[C@@H](C1)c1c(O)cc([C@H](C)[C@@H](C)C3CCCC3)cc1OC2(C)C 26667379 USDMFBBEDJJVQK-DGQTTZFYSA-N 368.561 6.933 0 1 FKAF Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3cc(O)ccc32)cc1 27550716 PPLLNNBNAFHAFW-UHFFFAOYSA-N 366.416 5.167 0 1 FKAF CCCCOc1cccc(-c2cc(O)c3c(C)c(C(=O)OCC)oc3c2)c1 28379452 OTZRJGFFGJFBFQ-UHFFFAOYSA-N 368.429 5.469 0 1 FKAF CCc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 28817094 JHTQREMVHFRWEJ-UHFFFAOYSA-N 371.524 5.322 0 1 FKAF in-vivo CCc1ncnc(N[C@@H](CC)c2ccc(-c3ccccc3)cc2)c1Cl 28887536 NRXFJMCDXQIDBI-SFHVURJKSA-N 351.881 5.923 0 1 FKAF COC(=O)[C@H](Oc1ccccc1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242676 MUCSGWPEMYOACE-HXUWFJFHSA-N 368.816 5.425 0 1 FKAF c1ccc([C@@H](c2ccc(Nc3nc4ccccc4[nH]3)cc2)n2ccnc2)cc1 40873292 ZZMMQVBQBSLCLI-QFIPXVFZSA-N 365.440 5.141 0 1 FKAF CC[C@@H](C)Nc1ncc(-c2nc(C)c(C)s2)c(-c2cccc(C)c2)n1 82173709 CKTKRPGEONFUCU-CYBMUJFWSA-N 352.507 5.403 0 1 FKAF Clc1ccc(C(OC[C@@H]2CCCCN2)c2ccc(Cl)cc2)cc1 84741580 KFHNLNACTABJSO-SFHVURJKSA-N 350.289 5.242 0 1 FKAF CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2)C2=C(O)CCCC2=N1 103996597 CFCOBIFXIAQHHI-NRFANRHFSA-N 365.473 5.371 0 1 FKAF CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(C4CC4)cccc32)cc1 116390348 FDHFUHLUGPRWDQ-YADHBBJMSA-N 366.457 5.183 0 1 FKAF COc1ccc([C@@H]2CC(=O)[C@@H]3Sc4cc(Cl)ccc4N=C3C2)cc1 169715486 KTGZZKRFWDJBJL-HXPMCKFVSA-N 357.862 5.042 0 1 FKAF Cc1cn(Cc2c(Cl)cccc2Cl)c2cc(CCC(=O)O)ccc12 205665753 KBOZMSFFJGFCMH-UHFFFAOYSA-N 362.256 5.322 0 1 FKAF CC(=O)O[C@@H]1CC/C(C)=C/C=C(/C(C)C)CCC2=CCC[C@]1(C)OC2=O 210767880 PSJHYYPVPGHZAJ-YNIMSSNGSA-N 360.494 5.043 0 1 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@H]2[C@H](C)N(C)C)C1 257494080 NLOJUKSOUNWUSW-VFJPLAFHSA-N 360.630 5.183 0 1 FKAF O=C(Nc1cccc(F)c1)Nc1cc(C2CCCC2)nn1-c1ccccc1 299824265 KVTKGWLBMWALLE-UHFFFAOYSA-N 364.424 5.313 0 1 FKAF CC[C@]1(C)C[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586892053 SYHCIPUBFHJIHQ-AMIZOPFISA-N 363.177 5.128 0 1 FKAF Oc1cccc(CCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 586896538 SYBVVFJDPFMYHP-UHFFFAOYSA-N 371.465 5.330 0 1 FKAF Brc1ccc(-c2ccc(/C=C\c3nc4ccncc4[nH]3)o2)cc1 586998389 KQOWPMIKFJCBKB-VURMDHGXSA-N 366.218 5.151 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC[C@H](C(C)C)C4)-c1ccccc1C2=O 587100872 PUSVQVTVLLMZMY-INIZCTEOSA-N 355.481 5.906 0 1 FKAF Cc1cc(Cl)c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587497653 JRKDEKBGIGRCHG-GOSISDBHSA-N 356.849 5.248 0 1 FKAF C[C@@]1(C2CCC(C(F)(F)F)CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587510326 ZZLKHLCXKYFSNM-WSNMIEGMSA-N 366.423 5.658 0 1 FKAF CC(C)COc1cccc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587565864 LOXDMNSSQZPOHA-UHFFFAOYSA-N 365.260 5.484 0 1 FKAF Fc1cc2c(-c3ccc(Cl)cc3)c(-c3ccccn3)[nH]c2cc1Cl 587627804 CHXDQNRSPPRMPC-UHFFFAOYSA-N 357.215 6.343 0 1 FKAF Cc1ccc(C(=O)c2c(-c3cccc(F)c3)[nH]c3cc(F)ccc23)c(O)c1 587634490 GZWFFWNSMCOSBQ-UHFFFAOYSA-N 363.363 5.358 0 1 FKAF CCc1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)c1ccc(C(F)(F)F)cc1 587643514 VGAXHRDQBXNRHA-ZDUSSCGKSA-N 373.418 6.494 0 1 FKAF Cc1cc(C)c(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1 587661416 ZANBZSKVGHLCOD-UHFFFAOYSA-N 358.416 5.117 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)c2ccccc2)N1 587818800 JZDHQMOHTQWFHU-KZULUSFZSA-N 362.286 5.141 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587952458 QWSPTHBKAXHSBP-WBIUFABUSA-N 374.834 6.282 0 1 FKAF Fc1cc(-n2c(-c3c(F)ccc(F)c3F)cnc2Cl)ccc1Cl 1772639474 HKOGVAWCHPRCEZ-UHFFFAOYSA-N 361.125 5.403 0 1 FKAF CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)[C@@H]1CCC(CO)=C[C@@H]21 1772654887 FYHIVHSWDVHSCA-FCHUYYIVSA-N 370.577 6.518 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@@]4(C)[C@@H]3CC[C@@]12C 13783721 RPKLZQLYODPWTM-LQFRKESUSA-N 360.582 6.536 0 1 FKAF CCCC[C@H](c1cccc(F)c1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 22941652 IUNNNLPJQWHQNA-HKBOAZHASA-N 360.904 5.485 0 1 FKAF CCOP(=O)(C[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C)OCC 28645634 HKYADLMJLPBMTK-OIHMHFBDSA-N 372.486 5.102 0 1 FKAF Nc1ncc(Br)c2scc(-c3ccc(F)c(Cl)c3)c12 28884759 DDMVVUOZEZSZKY-UHFFFAOYSA-N 357.635 5.101 0 1 FKAF COc1cccc(Oc2ccc(-c3ccc([C@@H](C)NC(C)=O)cc3)cc2)c1 45290034 ATCUKGSBKCZRMS-MRXNPFEDSA-N 361.441 5.352 0 1 FKAF CC(C)N1[C@H]2CC[C@@H]1CC(OC1c3ccccc3C=Cc3ccccc31)C2 45392160 HMYMSZLQKFXEMI-CBQGHPETSA-N 359.513 5.680 0 1 FKAF CCCCCC1=NN(C(=O)NC2CCCCCCC2)C[C@@H]1c1ccccc1 58583508 ZZXRSBQQNVJSCT-OAQYLSRUSA-N 369.553 5.845 0 1 FKAF COc1c([C@@H](C)n2cnc3cc(Cl)ccc32)ccc2c1C=CC(C)(C)O2 72181621 GNHOSKMDPUEGKC-CYBMUJFWSA-N 368.864 5.492 0 1 FKAF c1ccc(Oc2ccc3c(c2)[C@H]2OCCC[C@H]2[C@@H](C2CCCCC2)N3)cc1 95589652 VCIAHHQMJRBLID-ZTCOLXNVSA-N 363.501 6.321 0 1 FKAF Clc1cccc(N2CCN(Cc3cccc4ccccc34)CC2)c1Cl 96283198 OJVGHPDSXXGXQT-UHFFFAOYSA-N 371.311 5.469 0 1 FKAF Clc1cccc(CN2CC[C@@H]3C[C@@H]2c2cc(N4CCCCC4)ccc23)c1 102831324 KZJJRDZSSLUTQV-WZONZLPQSA-N 366.936 5.765 0 1 FKAF CCCCCCSC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169343156 YHSIOGBAMKKEDO-FEJLZGJSSA-N 354.556 5.295 0 1 FKAF [C-]#[N+]c1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1 169703993 VGECRUXSXMDLST-UHFFFAOYSA-N 362.396 5.467 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C 255284956 YPUSVPPKDFWEHB-PDCPANKYSA-N 374.653 7.079 0 1 FKAF Clc1cccc(-c2cnn(-c3ccccc3-c3cccc(Cl)c3)n2)c1 473114629 OAHPNCXCTIFYQY-UHFFFAOYSA-N 366.251 5.908 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1 586963420 NGUKERQTLCYOFD-SNVBAGLBSA-N 365.271 5.459 0 1 FKAF CCCC(Br)(CCC)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586971310 RARXZYFPQKCAEW-UHFFFAOYSA-N 365.649 5.685 0 1 FKAF Cc1ccc2c3c(cc(/C=C/c4ccc(F)cc4)nc13)-c1ccccc1C2=O 586996045 PCMUMEUUJAJFTJ-FMIVXFBMSA-N 365.407 6.064 0 1 FKAF Oc1ccc2scc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2c1 587032560 KPRKTFVZMSZVNR-UHFFFAOYSA-N 368.767 5.822 0 1 FKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Cl)ncc4[nH]3)c2)c1 587050424 PXYWWEJFJLGJJN-UHFFFAOYSA-N 368.223 5.411 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 587068430 ACICVMVWRNQMPQ-VIFPVBQESA-N 351.208 5.385 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc4cnccc34)nc3cccc1c23 587107781 ULVYXDNRWQYXMC-UHFFFAOYSA-N 358.400 5.661 0 1 FKAF Cc1c(-c2nc3ccc4c(c3[nH]2)CCCC4)cc(-c2ccc(F)cc2)n1C 587165760 CJIUZLXTQMUOTP-UHFFFAOYSA-N 359.448 5.562 0 1 FKAF Nc1c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)ccc2ccccc12 587254305 ZKBLORAQAGINHR-UHFFFAOYSA-N 365.436 5.544 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C)cc3)cc1)CC2=O 587478747 HNBYLZGVSGTJHI-XMMPIXPASA-N 372.464 6.027 0 1 FKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C(F)(F)F)c1 587510012 VLUHWPVELLKEOU-IBGZPJMESA-N 360.375 5.599 0 1 FKAF O=C1C[C@H](c2cccc(-c3ccccc3)c2)Oc2c1ccc1c2CCCC1 587523429 IRDXATPOVRJFKX-XMMPIXPASA-N 354.449 5.939 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccccn3)s2)Oc2c1ccc1c2CCCC1 587533961 ZWFWLBVTYQLRDP-IBGZPJMESA-N 361.466 5.395 0 1 FKAF Cc1cc(Cl)cc2c(C(C)C)c([C@H](C)NC(=O)OC(C)(C)C)[nH]c12 587627393 UPHVEODOGDTBOW-LBPRGKRZSA-N 350.890 5.839 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2Cl)N1 587722199 RYTIAWYUNGJULL-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF COc1ccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(OC)c1C 587786225 FJKAGFLQBRFTBB-UHFFFAOYSA-N 360.413 5.348 0 1 FKAF Cc1cccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)[nH]c12 587808302 YDJIEVVNRUJKCN-WLRWDXFRSA-N 373.269 5.002 0 1 FKAF CC1=CC[C@H](C[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587817924 FOKRPMIZMMLKPW-RVZJWNSFSA-N 366.318 5.546 0 1 FKAF CCc1cc(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587819702 MPLKDMFMEXZNJK-BLVKFPJESA-N 362.286 5.083 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccsc2)N1 587852802 JDZQFNUYIHMBEN-GTNSWQLSSA-N 368.315 5.032 0 1 FKAF COc1ccc(Br)cc1-c1nc(-c2ccc(C)c(C)c2)cs1 587920760 MDTDZIKUHSSANM-UHFFFAOYSA-N 374.303 5.865 0 1 FKAF CSc1ccc(-c2csc(COc3ccc(C(C)(C)C)cc3)n2)cc1 587925227 QESQAVUPIYYTSW-UHFFFAOYSA-N 369.555 6.409 0 1 FKAF CC(C)(C)SC(=O)C[C@@]1(C)NCCc2cc(-c3ccccc3)ccc21 962669034 ZTYAXSWGLDHQLD-JOCHJYFZSA-N 353.531 5.163 0 1 FKAF C[C@]1(CSc2ccc(Cl)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963103960 GNMXUZICCYHVBX-JXFKEZNVSA-N 361.913 5.507 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cn(-c2cccc(F)c2)nc1C 963227565 JPKWNGFTFMTEHT-WAIKUNEKSA-N 363.480 5.066 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(F)c3)nc3c2Cc2c(O)cccc2-3)cc1 1857543436 IOIADCRDHZWEJP-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF COc1ccccc1-c1sc2ccccc2c1-c1ccc(C(C)=O)cc1 15935072 VUEMKLCTEOBARZ-UHFFFAOYSA-N 358.462 6.447 0 3 FKAF CC(=O)N[C@@H](c1ccccc1)c1nc(-c2ccc3ccccc3c2)cs1 61895604 LEUHOEQBGCJVTF-NRFANRHFSA-N 358.466 5.189 0 3 FKAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCCC 4213799 QLTXZZHSWNEIAT-LEWJYISDSA-N 374.525 5.016 0 1 FKAF CC1CCC(C(C)(C)Oc2ccc(NC(=O)c3ccccc3)cc2)CC1 5767823 GNSJLHJUKJLCHK-UHFFFAOYSA-N 351.490 5.923 0 1 FKAF CO[C@@H](C1CCCCC1)[C@@H](C)/C=C/CC(=O)OCCCc1ccccc1 7992068 WFDPQRQYLWKFNQ-ZTSWJXERSA-N 358.522 5.340 0 1 FKAF CC(C)C[C@@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1CC[C@@H]1C[C@H]2CC[C@@H]1C2 27209383 SGIBUXSDRUUCRC-UTCUMILBSA-N 371.613 5.164 0 1 FKAF CC(=O)c1c(O)cc(O)cc1CCCCCCCCCCc1ccccc1 40919188 GBNNUJZVXOCNQU-UHFFFAOYSA-N 368.517 6.206 0 1 FKAF biogenic Cc1cc(CNCCCCCCCNCc2ccc(Cl)cc2)ccc1O 45191762 DBKMKOGWDCFPKP-UHFFFAOYSA-N 374.956 5.184 0 1 FKAF O=C(NCc1cccc2ccccc12)Oc1cccc(-c2ccccc2)c1 45497940 CKQZVWJYKPSNAI-UHFFFAOYSA-N 353.421 5.795 0 1 FKAF CCCOc1ccc(-c2nc(CN[C@@H]3C[C@@H](C)CC(C)(C)C3)co2)cc1 72184702 NWWLEGSOAAAZMQ-SJLPKXTDSA-N 356.510 5.435 0 1 FKAF C=Cc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1 96940178 QIZMIMLUTNOUKG-UHFFFAOYSA-N 352.433 6.387 0 1 FKAF CC1(C)[C@H]2C[C@H]1CC[C@@H]2CNc1cc(Oc2ccc3ccccc3c2)ncn1 104930392 IMBHTTDSYOSSNM-SBHAEUEKSA-N 373.500 5.906 0 1 FKAF CCC[C@@H](C(=O)O)c1c(C)nc2ccc3c(c2c1-c1ccc(C)cc1)CCC3 140322536 MNMDSGXKGOEYSF-HXUWFJFHSA-N 373.496 5.976 0 1 FKAF O=C(/C=C/CCCCCC/C=C\c1ccc2c(c1)OCO2)N1CCCCC1 214846451 CHOLQJRIMZGPNC-QRBCZBMESA-N 369.505 5.338 0 1 FKAF Cc1c(Br)cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1C 586883689 CZBLGDGXCSAUHX-MGPUTAFESA-N 367.290 5.314 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2cc(Br)cc(C)c2[nH]1 586884860 ZYPNOPIVASZYSU-UHFFFAOYSA-N 351.247 5.762 0 1 FKAF CC[C@@]1(C)C[C@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 586885826 AHFIBBWPMHYYIR-QKKBWIMNSA-N 367.424 5.136 0 1 FKAF OCCCCCCCCCCCc1nc2c(Cl)cnc(Cl)c2[nH]1 586894822 WAMIEEIJSPGSAR-UHFFFAOYSA-N 358.313 5.310 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C)cc(F)c2[nH]1 587044524 HYYBDQJSVJOYDN-UHFFFAOYSA-N 355.196 5.001 0 1 FKAF FC(F)(F)c1cccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587114133 WHSCDFJXNMWRMB-UHFFFAOYSA-N 370.399 6.400 0 1 FKAF CCC[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587375223 KOHRWQCNFXANPB-IBGZPJMESA-N 364.272 5.545 0 1 FKAF COc1cccc(-c2cccc(-n3c(O)ccc3OCc3ccccc3)c2)c1 587925330 FVEXPMGOWHMDDB-UHFFFAOYSA-N 371.436 5.438 0 1 FKAF Cc1nc(C2CC2)sc1[C@]1(C)NCCc2c(Cl)cc(Cl)cc21 963115053 YYMRKJHQEUUAJE-QGZVFWFLSA-N 353.318 5.045 0 1 FKAF Cc1nccn1CCCNc1ccc(C(C)C)cc1-c1cccc(F)c1 1772612005 HTLYSLORNUHZLU-UHFFFAOYSA-N 351.469 5.623 0 1 FKAF c1ccc(-c2cc3c(cn2)ncc2ncn(-c4ccc5ncccc5c4)c23)cc1 1772624456 KUUOKLYDLXUISS-UHFFFAOYSA-N 373.419 5.184 0 1 FKAF CC(C)=CCC[C@@](C)(O)[C@H]1CC=C(C)CCC=C(CO)CCC=C(C)CC1 2356646967 VUURSWUKVPJIET-JWQCQUIFSA-N 374.609 6.656 0 1 FKAF Clc1cc(Cl)cc(CN[C@H]2CCC23CCC(c2ccccc2)CC3)c1 205707574 IBWUKWPXJLBVRG-QUENFVSXSA-N 374.355 6.590 0 3 FKAF CC(C)[C@@H](C)NC(=O)c1c(C(C)(C)C)noc1-c1c(F)cccc1Cl 777243 NMYMWRQKMNVWJL-LLVKDONJSA-N 366.864 5.206 0 1 FKAF Cc1ccccc1Nc1nc(NCCc2ccccc2)nc2ccccc12 13742272 QCQACOBJADYRJQ-UHFFFAOYSA-N 354.457 5.336 0 1 FKAF CCN(CC)[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21 26579739 NIIGXDSCJHJWSY-DNVCBOLYSA-N 350.289 5.618 0 1 FKAF in-vivo CN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCC2CCCCC2)CC1 27327657 CXOQALUVQIGWOI-UHFFFAOYSA-N 363.973 5.763 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C([C@H](O)CC)C[C@H]21 27628792 HSVJVWLJEGYGAC-IPMKNSEASA-N 358.522 5.487 0 1 FKAF Cc1ncc(-c2ccc(C(F)(F)F)cc2)c(NC2Cc3ccccc3C2)n1 28824792 WDCGTGFSAAKNIP-UHFFFAOYSA-N 369.390 5.050 0 1 FKAF CC(C)N(C(=S)SCc1coc2cc(Cl)ccc2c1=O)C(C)C 43076393 PMUGIVFCTQMKKJ-UHFFFAOYSA-N 369.939 5.083 0 1 FKAF Oc1cccc(-c2nccc3[nH]nc(-c4cccc(C(F)(F)F)c4)c23)c1 74388836 PRNWRBVVCRPRNV-UHFFFAOYSA-N 355.319 5.016 0 1 FKAF Fc1cc2ncn(-c3ccccc3)c2cc1OCc1ccc2ccccc2n1 103247866 IVJVNIKWOBUUKX-UHFFFAOYSA-N 369.399 5.292 0 1 FKAF CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)oc12 166022516 PWNGSDYKWGJNNE-UHFFFAOYSA-N 351.494 6.123 0 1 FKAF CCc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3s2)cc1 169352724 SWGOJGDTMNOVSA-UHFFFAOYSA-N 371.469 5.336 0 1 FKAF CC(C)(C)C1=NN(c2cccc(C(=O)O)c2)[C@@H](c2ccc(Cl)cc2)C1 203670271 PGDFBIBSGWKCGX-QGZVFWFLSA-N 356.853 5.392 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1)[C@@H](CSCC)n1cnc2ccccc21 473097887 DLLKNDMLFNNWLF-WOJBJXKFSA-N 374.937 5.762 0 1 FKAF CNc1cc(Cl)c(C(=O)Nc2ccc(O)c(C(C)(C)C)c2)c(Cl)c1 473115011 QMKSMHRVYXAYMI-UHFFFAOYSA-N 367.276 5.291 0 1 FKAF Cc1cc(C)c2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc2c1 586995857 KBAONIWDKHPMHK-UHFFFAOYSA-N 359.267 5.256 0 1 FKAF CC(C)Oc1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587050476 OXJVGXFLTYPFTI-QWHCGFSZSA-N 361.272 5.928 0 1 FKAF CNc1cc(Cl)ccc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 587067103 NRFZHOLFIUDPPE-UHFFFAOYSA-N 364.674 5.304 0 1 FKAF O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc2c1 587130648 NHMGJAIVTHVUPO-UHFFFAOYSA-N 364.351 5.062 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)c(F)c2)c(F)c1 587152390 MKHYSWIGABHHLE-UHFFFAOYSA-N 364.395 5.801 0 1 FKAF CCc1c([C@@H]2CCOC(C)(C)C2)nc2cccc3c2c1-c1ccccc1C3=O 587206322 HWTSUAGVVBUYBR-OAHLLOKOSA-N 371.480 5.681 0 1 FKAF O=C1c2ccc(O)cc2OC2(CCCCCCCC2)[C@H]1c1ccc(F)cc1 587351716 KWNXZKSIWUUULP-NRFANRHFSA-N 368.448 5.763 0 1 FKAF CC[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587364703 AWEGAJOQKODTSD-OAHLLOKOSA-N 357.453 6.172 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CC[C@H]1C(C)C 587484499 SJQCLJUFURMFES-YADARESESA-N 364.485 5.424 0 1 FKAF CCCCCc1ccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587489161 MXBLYGLKZPCODB-XMMPIXPASA-N 366.501 5.958 0 1 FKAF CC(C)N1CCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587513751 LCHNQKKGFXJMGQ-QHCPKHFHSA-N 361.485 5.043 0 1 FKAF Cc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587533211 VFDJDDPENHSIRS-OAQYLSRUSA-N 374.505 6.309 0 1 FKAF COc1ccccc1C(=O)c1c(C(F)F)[nH]c2ccc(F)c(Cl)c12 587629664 WFRFTFCUQPCEES-UHFFFAOYSA-N 353.727 5.138 0 1 FKAF CC(C)c1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820101 OVTQRTAYUMQICB-BLVKFPJESA-N 362.286 5.335 0 1 FKAF Clc1cccc(-c2csc(Cc3ccc(Br)cc3)n2)c1 587921419 XAPQIHDVJBMUML-UHFFFAOYSA-N 364.695 5.817 0 1 FKAF Fc1ccc2c(c1)c(CN1CCCCC1)cn2CCCOc1ccccc1 1772652304 HMZXKRRMMILIKW-UHFFFAOYSA-N 366.480 5.235 0 1 FKAF CC(=O)O[C@@H]1C=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)O1 2356381577 RKRFHXVVRCHNSV-NRFANRHFSA-N 360.494 5.558 0 1 FKAF O=C(O)C1(c2ccc(-c3ccc(-c4ccc(O)cc4)c(F)c3)c(F)c2)CC1 3986653 PNSGYWXRFOWVFA-UHFFFAOYSA-N 366.363 5.121 0 1 FKAF C1CCCCC2(CCCCCCCCC3(CCC1)OCCO3)OCCO2 5566827 KIWQXBZEHMEJLC-UHFFFAOYSA-N 368.558 5.728 0 1 FKAF CCc1c(C)nc(OC)c2c1[C@@H](c1cc(C)cc(C)c1)OC(C(C)(C)C)=N2 5847290 KTWSBNKAFORNHX-HXUWFJFHSA-N 366.505 5.774 0 1 FKAF CCCCCS[C@H]([C@@H](OCC)c1ccc(Cl)cc1)n1ccnc1 45372870 VQBLRBCMOWIRGB-ZWKOTPCHSA-N 352.931 5.736 0 1 FKAF CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1Cl 53296046 UEQVVKSOVWSICC-KRWDZBQOSA-N 367.663 5.344 0 1 FKAF Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(C#N)c2)c1 145526479 UBQJIYNBNDNFDF-UHFFFAOYSA-N 354.335 5.086 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 169324292 BAPMYIDMCWECAK-KRWDZBQOSA-N 370.577 7.385 0 1 FKAF Cc1ccc(Nc2nnc([C@H](C)Oc3ccc(Cl)c(Cl)c3)o2)cc1 169702761 IKCNFEJZJHESQV-NSHDSACASA-N 364.232 5.568 0 1 FKAF O=c1ccc2cc(OCc3cc(-c4cccc5ccccc45)no3)ccc2o1 299824362 KKFYLXMZTYONSO-UHFFFAOYSA-N 369.376 5.180 0 1 FKAF CCO[C@H](CC(=O)O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 473107458 IXOREGUHTRYYFG-QGZVFWFLSA-N 369.244 5.125 0 1 FKAF FC(F)(F)C(F)(F)c1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cn1 586884157 OJRKNXSVGADPSY-YPIXOSSWSA-N 371.353 5.080 0 1 FKAF Fc1cc2[nH]c(-c3nc(Br)sc3C3CC3)nc2cc1Cl 587011827 DAWRQXLTXIQDFJ-UHFFFAOYSA-N 372.650 5.119 0 1 FKAF CCc1ccc(-c2nc(-c3nc4cc(OC)c(Cl)cc4[nH]3)cs2)cc1 587015636 TZVLHMGFNOIRBJ-UHFFFAOYSA-N 369.877 5.578 0 1 FKAF Clc1cccc(COc2ccc(/C=C/c3nc4cnccc4[nH]3)cc2)c1 587069678 GFFDDXSLWLPEQA-RMKNXTFCSA-N 361.832 5.361 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(F)c(C)c2[nH]1 587073731 KUXUZKLDIJKRHP-UHFFFAOYSA-N 350.824 6.306 0 1 FKAF Clc1cc(-c2nc3cccc(Br)c3[nH]2)c2ccccc2n1 587085205 MZUDZVRNBFRSSZ-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF Cc1ccnc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587159938 YXKQQFMEJUJNBT-GOSISDBHSA-N 367.811 5.227 0 1 FKAF CC(C)c1ccc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587206125 GZVMZXZIMIRFNV-UHFFFAOYSA-N 365.432 5.942 0 1 FKAF O=C(O)c1cccc(-c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)c1 587215797 VFOMZRFMNAWRLA-UHFFFAOYSA-N 351.405 5.366 0 1 FKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cccc(Cl)c2[nH]1 587247787 UBBNFQYIMBZASI-UHFFFAOYSA-N 363.848 5.631 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccnc3ccc(Cl)cc13)CC2=O 587460341 HHPZPBIEURNOBR-FQEVSTJZSA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)sc1Cl)CC2=O 587493009 PQGCTZOAVVPBHZ-ZDUSSCGKSA-N 357.258 5.420 0 1 FKAF O=C1C[C@H](c2ccc(Cl)c3cccnc23)Oc2c1ccc1c2CCCC1 587499187 LNQPWLYFWAGKLO-HXUWFJFHSA-N 363.844 5.474 0 1 FKAF C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509935 UEZCLZHDFLMRHR-FQEVSTJZSA-N 360.375 5.465 0 1 FKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl 587544131 LWPQUBFUDSLKKU-RXVVDRJESA-N 366.800 5.057 0 1 FKAF Fc1cccc2[nH]c(-c3cccc(Cl)c3)c(-c3nc4ccccc4[nH]3)c12 587633191 UIBWBFANLCDFIG-UHFFFAOYSA-N 361.807 6.171 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c([C@H]3CCCCN3C(=O)OC(C)(C)C)c(C)c2c1 587640498 ARIZATLDDLWRGB-FOIQADDNSA-N 370.537 6.452 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccccc3F)c2c1 587642514 SXZXFRBTESLZLU-LLVKDONJSA-N 363.354 6.070 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](C3CCCC3)C2)N1 587816807 DLAGEVMIRHJYSL-TVZGQMOCSA-N 366.318 5.308 0 1 FKAF Cc1ccc(/C=C\[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587819152 LMGDWVGJDCLFFE-OMBZKJEESA-N 360.270 5.185 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccccc3c2)N1 587824155 UWFHEZLPCFFRMN-FKIZINRSSA-N 370.265 5.365 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(C)cc(C)c4[nH]3)c2C)c(OC)c1 587931034 YFLXFHKTOAIRNY-UHFFFAOYSA-N 372.468 5.839 0 1 FKAF FC(F)(F)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587961522 LAXCZYJBPZQMJO-UHFFFAOYSA-N 352.359 5.840 0 1 FKAF CCCC/C=C/c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587965586 NOFZZYFBFCSKPZ-AATRIKPKSA-N 363.177 5.427 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3occ(C)c3c2)n1 653750424 NRIVUDDSOUSRKR-OAQYLSRUSA-N 369.468 5.996 0 1 FKAF Cc1sc2c(c1C)CCN[C@@]21[C@@H](C)C[C@H]([C@@H]2C[C@H]3CC[C@H]2C3)C[C@H]1C 963014052 STYBSZKXPKCMHV-CBGZZNKTSA-N 357.607 5.824 0 1 FKAF CCCCCC[C@@H](O)CC=CCCCCCCCc1cc(O)cc(O)c1 2356420159 QKJHTDPOTJRZOH-OAQYLSRUSA-N 362.554 6.259 0 1 FKAF Cc1c(Br)cc([C@]2(C)CC[C@@H]3C[C@]32C)c(O)c1Br 2356423241 RZKAMLNZFWGFSP-TURNYIBQSA-N 374.116 5.303 0 1 FKAF CSc1ccc(O[C@]2(C)CCN(Cc3ccc(C(C)C)cc3)C2)cc1 61895448 UHCYPXDPFKQRHS-JOCHJYFZSA-N 355.547 5.575 0 3 FKAF Cc1ccc2nc(-c3ccc(Cl)cc3)c(Cc3cccc(F)c3)n2c1 199363961 PAGQDOHCYGYWOO-UHFFFAOYSA-N 350.824 5.693 0 3 FKAF CCCCNC(=S)c1ccc(OC(=O)Nc2ccc(Cl)cc2)cc1 5972896 HZSBVBWPFHOFTA-UHFFFAOYSA-N 362.882 5.016 0 1 FKAF Cc1oc(/C=C/C(=O)O)cc1Cc1ccc2c(c1)C(C)(C)CCC2(C)C 13560351 PCLGZAGPVGBVBQ-VQHVLOKHSA-N 352.474 5.626 0 1 FKAF CCCCCc1cc2c(c3c1CCCO3)[C@@H]1C[C@H](O)CC[C@H]1C(C)(C)O2 13606341 QXPMAJJUKZJCEC-BHIYHBOVSA-N 358.522 5.160 0 1 FKAF CCOC(=O)c1ccc(-c2nn(Cc3ccc(F)cc3)c3ccccc23)cc1 29062953 UTIFTBCDILZRIQ-UHFFFAOYSA-N 374.415 5.067 0 1 FKAF CC[C@H]1[C@@H](C)CC[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]13 40701181 LOXDVVJBFLMGGL-GTPFSUDJSA-N 353.550 5.133 0 1 FKAF CCC[C@H](C(=O)O)c1c(C)nc2cc3c(cc2c1-c1ccc(C)cc1)CCC3 140297736 UUOMQPGFCVLGQA-FQEVSTJZSA-N 373.496 5.976 0 1 FKAF CCCC(Br)(CCC)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586971556 ULEGXSCKEZBQPN-UHFFFAOYSA-N 367.184 5.310 0 1 FKAF O=C1c2ccccc2-c2cc(-c3c(O)cccc3Cl)nc3ccc(O)c1c23 586985315 FLQUGEUKGRRHQH-UHFFFAOYSA-N 373.795 5.178 0 1 FKAF Cc1c(Cl)ccnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985739 JSFAPFKYLFSQBM-UHFFFAOYSA-N 372.811 5.176 0 1 FKAF Cc1nc(Br)sc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 587010590 DBUBIGBBLYKMEN-UHFFFAOYSA-N 363.067 5.064 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc5[nH]ncc5cc4[nH]3)c21 587033399 UGXHOYAPNYHCTQ-LBPRGKRZSA-N 373.485 5.398 0 1 FKAF COc1cccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587069681 GJQJORVWCLLCAZ-UHFFFAOYSA-N 364.832 5.471 0 1 FKAF C[C@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccccc1C(F)(F)F 587098360 QTMTZSJGCYKFLR-QMMMGPOBSA-N 359.273 5.147 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587114936 ZUMIZWNXHPVBER-SECBINFHSA-N 373.205 6.235 0 1 FKAF CC(C)(C)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587133615 WJVFKTDMUDFIPE-UHFFFAOYSA-N 365.235 5.537 0 1 FKAF O=C1c2ccccc2-c2c([C@@H]3CCCc4ccccc43)cnc3cccc1c23 587207081 HSNASEUTOSMEOZ-GOSISDBHSA-N 361.444 5.914 0 1 FKAF Cc1cc(C(F)(F)F)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509230 RGNIBKUEGQUJKY-IBGZPJMESA-N 360.375 5.599 0 1 FKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(C)C 587521699 JCDKSADXELLZIA-JOCHJYFZSA-N 350.458 5.368 0 1 FKAF C[C@@]1(c2ccc3cccc4c3c2CC4)CC(=O)c2ccc3c(c2O1)CCCC3 587523323 LENMQIWVLBPNDS-SANMLTNESA-N 368.476 5.698 0 1 FKAF O=C1C[C@@H](c2cnc(-c3ccccc3)s2)Oc2c1ccc1c2CCCC1 587536645 YLRONYYZDIENAR-IBGZPJMESA-N 361.466 5.395 0 1 FKAF CCOC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2cc(Cl)c(F)cc12 587631027 VAJWNZRFVWTPSJ-UHFFFAOYSA-N 363.791 5.262 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]1CCCC[C@@H]1C2(C)C 587826440 HDNLASDTNDLWRL-KTFSFXJSSA-N 366.318 5.164 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1CCCC[C@@H]1C2(C)C 587830650 VUYUSORISDJSEI-BJINURBMSA-N 366.318 5.164 0 1 FKAF c1ccc(Oc2ccccc2Cc2nc3cc4ccccc4cc3[nH]2)cc1 587949409 FOAPFFQLIMWJMW-UHFFFAOYSA-N 350.421 6.099 0 1 FKAF CCC[C@@H](C)[C@@]1(c2ccccn2)NCCc2cccc(-c3ccccc3)c21 962659111 DTBRQCZSRKSRHC-CLOONOSVSA-N 356.513 5.574 0 1 FKAF COc1cccc2cc3c(nc12)[C@@H](C(C)(C)Sc1ccccc1)NCC3 963040496 XDUKLVWKMOBTRI-NRFANRHFSA-N 364.514 5.001 0 1 FKAF CCCN1[C@H](c2cnc(S[C@H](C)CC)nc2)c2ccccc2C[C@H]1C 963231938 BPKASJGJUPOROZ-JXXFODFXSA-N 355.551 5.113 0 1 FKAF C[C@@H]1CC(C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)C[C@@H](C)C1 1857653114 RRKUGRDUAQAPQQ-UWVGGRQHSA-N 356.413 5.326 0 1 FKAF CCN(CC)Cc1sc2nc3ccccc3n2c1-c1ccc(OC)cc1 1656735 LLCYMTBWUXUDBI-UHFFFAOYSA-N 365.502 5.066 0 1 FKAF COc1ccc2c(=O)c(-c3ccccc3)c(SCc3ccccc3)oc2c1 13581369 LRDBQWQKFHLBTR-UHFFFAOYSA-N 374.461 5.761 0 1 FKAF CCCCC/C=C\c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21 13758802 NJIKRWBGUIYKJM-FORFBYLSSA-N 358.522 5.649 0 1 FKAF O=C(CCCCCCc1ccc(F)cc1)c1ncc(-c2ccccn2)o1 14979855 JFADYLNYNWJEAR-UHFFFAOYSA-N 352.409 5.252 0 1 FKAF C1=CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 26748650 KFOQZPZUMXHKTJ-UHFFFAOYSA-N 355.481 5.323 0 1 FKAF Fc1ccc2[nH]c3c(c2c1)[C@@H]1CCC[C@H](C3)N1CCCCc1ccccc1 29319066 KYBUUIZCDMRELX-XXBNENTESA-N 362.492 5.782 0 1 FKAF CCc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O 29319976 OYMJUDNLOXNFNI-UHFFFAOYSA-N 371.411 5.969 0 1 FKAF CC(C)(C)n1nc(Cc2ccc(Cl)c(Cl)c2)c2ccccc2c1=O 40762399 UUCNRGZMOMSXOU-UHFFFAOYSA-N 361.272 5.049 0 1 FKAF CCCCc1ccc(-c2nnc(S)n2-c2ccc(C(C)C)cc2)cc1 64504155 FUKJYFAJESEHDZ-UHFFFAOYSA-N 351.519 5.689 0 1 FKAF Cc1cc(C)nc(Sc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)n1 66104462 CWXLTZHBSRYZAR-UHFFFAOYSA-N 368.437 5.028 0 1 FKAF Cc1cccc(-c2nc(NCc3ccccc3)ncc2-c2nc(C)c(C)o2)c1 82173733 WQJLYSFGNHYTBY-UHFFFAOYSA-N 370.456 5.336 0 1 FKAF O=c1cc(-c2ccccc2)oc(O)c1[C@H](CC1CC1)SC1CCCCC1 100997199 JBSXNEBMJZBGCO-FQEVSTJZSA-N 370.514 5.920 0 1 FKAF C[C@@H](NC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl)c1ccc(Cl)cc1 103293204 NVXNDEOFVXDGNT-PXAZEXFGSA-N 368.691 5.033 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586878459 HZJSSFXTMPBMDJ-UHFFFAOYSA-N 364.351 5.527 0 1 FKAF CSc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2c1 586880275 NWESQUIJLAYKKU-UHFFFAOYSA-N 374.465 5.625 0 1 FKAF Cc1ccc([C@H]2Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1 586989813 FNUWFOQACRXKFN-QGZVFWFLSA-N 363.416 5.148 0 1 FKAF FC(F)(F)c1cc(Br)cc2nc(/C=C/c3ccsc3)[nH]c12 587026669 WOUNJBLXSZLVGN-OWOJBTEDSA-N 373.197 5.576 0 1 FKAF COc1cccc(-c2ccc(-c3nc4ccc(CO)cc4[nH]3)c(Cl)c2)c1 587052395 RMXUHKZJKFPNDQ-UHFFFAOYSA-N 364.832 5.051 0 1 FKAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(C)cc3[nH]2)n1 587078977 DYQOIEMQHAIIPL-VIFPVBQESA-N 367.678 5.122 0 1 FKAF Cc1ccc2c3c(cc([C@@H](C)Oc4ccccc4)nc13)-c1ccccc1C2=O 587095973 DMPLGNAEHOFCQV-MRXNPFEDSA-N 365.432 5.895 0 1 FKAF Cc1ccc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)nc1 587097304 NDHXRYHFOUXXNF-UHFFFAOYSA-N 350.421 5.049 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1F 587151781 ITOSIXSURQFJOL-QWRGUYRKSA-N 370.346 5.724 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(F)c(C)c3[nH]2)c1 587159562 RVORVBZRNATREX-UHFFFAOYSA-N 364.395 5.416 0 1 FKAF CC[C@@H](C)[C@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587365171 FIZTYSJYEYBTRJ-NVXWUHKLSA-N 371.480 6.418 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1cc(C(C)(C)C)ccc1Cl)[C@@H](C2)C3=O 587423722 VPSDUYGURSSQRF-YWZLYKJASA-N 356.849 5.135 0 1 FKAF C[C@@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587508590 PMIKAESNMHRDBI-FQEVSTJZSA-N 360.375 5.465 0 1 FKAF COc1cccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512092 KPPKYAWNCFFXGU-QHCPKHFHSA-N 373.452 5.071 0 1 FKAF CC(C)CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520469 CDLOJFLHCRGJSZ-HSZRJFAPSA-N 364.485 5.697 0 1 FKAF CC[C@H](OC)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522936 MDPFNKPXHSTYOW-LADGPHEKSA-N 364.485 5.544 0 1 FKAF CC(C)[C@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601193 FSAHFWAENNPWAZ-NFBKMPQASA-N 366.457 5.329 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2C(C)(C)C2(C)C)N1 587813162 BQVJSSSNYBEYHB-MGNBDDOMSA-N 354.307 5.020 0 1 FKAF CC[C@H](C)[C@@H]1CC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587817511 LJSHECPITLIYIR-JWXAPSBJSA-N 354.307 5.164 0 1 FKAF COc1ccc(C2(c3nc4cc(C)c(F)cc4[nH]3)CC3(CCC3)C2)cc1 587936171 SQNIYUFZKVOEDG-UHFFFAOYSA-N 350.437 5.269 0 1 FKAF c1ccc(C[C@@H](c2ccccc2)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587954882 BTUQFIVSVADPDZ-QFIPXVFZSA-N 352.481 5.816 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]21c2ccccc2COc2ccccc21 963110423 MWBLNBYATSWYHF-NLFFAJNJSA-N 371.455 5.031 0 1 FKAF Brc1ccc(-c2c[nH]c3cc(Br)ccc23)cc1 1772625811 UYYLLVLOFYPYFF-UHFFFAOYSA-N 351.041 5.360 0 1 FKAF CCN(c1ccc(C(=O)O)c(F)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C 1857604257 UZHOUGDPNITXRQ-UHFFFAOYSA-N 369.480 6.031 0 1 FKAF COc1cc(OC)cc(-c2cc3ccccc3c(-c3cccc(OC)c3)n2)c1 1857773291 JLLIBCUMWLSKDC-UHFFFAOYSA-N 371.436 5.595 0 1 FKAF COc1ccc2sc(-c3ccccc3OC)c(-c3ccc(O)cc3)c2c1 36388667 CEWNYQBRSHREIW-UHFFFAOYSA-N 362.450 5.958 0 3 FKAF C[C@]1(Cc2cccc(C(F)(F)F)c2)C(=O)Nc2c(Cl)ccc(Cl)c21 61927144 ABAXPSFNYNYDKL-MRXNPFEDSA-N 374.189 5.465 0 3 FKAF CC(C)(C)c1noc(-c2cccc3ccccc23)c1C(=O)NC1CCCC1 775544 FDCVWILAPZDMGU-UHFFFAOYSA-N 362.473 5.465 0 1 FKAF COc1ccc(N[C@H](CSc2ccc(C)cc2)c2ccc(F)cc2)cc1 1656416 JLODQHZVECBJCT-JOCHJYFZSA-N 367.489 6.088 0 1 FKAF O=C(O)CC[C@H](C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 13780351 XFZNMCPTCABURS-QFIPXVFZSA-N 374.436 5.097 0 1 FKAF CCCCCc1cc2c(c(O)c1C(=O)O)[C@H]1CC(C)=CC[C@H]1C(C)(C)O2 14722856 YKKHSYLGQXKVMO-JKSUJKDBSA-N 358.478 5.434 0 1 FKAF biogenic CCc1ccc(C(=O)c2oc3cc(-c4ccccc4)cc(O)c3c2C)cc1 27522553 PDFXLVUFEGBMPY-UHFFFAOYSA-N 356.421 5.907 0 1 FKAF CCCCCCc1cc(Cl)ccc1O[C@H](Cc1ccccc1)C(=O)O 45497541 DEWUYUUOAXBVEE-HXUWFJFHSA-N 360.881 5.538 0 1 FKAF CCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 66078490 OGGMZCFUDVJLKS-UHFFFAOYSA-N 366.505 5.557 0 1 FKAF O[C@]1(Cc2ccc3ccccc3c2)c2ccccc2-c2nc3ccccc3n21 72124812 UXJGZACQZSALOC-RUZDIDTESA-N 362.432 5.106 0 1 FKAF CC[C@H](O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 116279605 PCLPUMSFIGAPDD-NRFANRHFSA-N 362.860 5.765 0 1 FKAF O=C(O)c1cccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 166085340 WKYHVNGVWNMSNN-KAMYIIQDSA-N 370.408 5.011 0 1 FKAF CCCCc1ccc(C2(C(=O)Nc3cc(Cl)c(O)cc3O)CCC2)cc1 473122403 RUWGCCXZUHGWCZ-UHFFFAOYSA-N 373.880 5.154 0 1 FKAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1F 586995568 MSTRNEZSUVXXAY-UHFFFAOYSA-N 353.396 5.869 0 1 FKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2cc3ccccc3cc2[nH]1 587051882 UYMJAZBOKVQLIL-KBPBESRZSA-N 353.252 6.294 0 1 FKAF Clc1ccccc1OCc1ccc(-c2nc3c(Cl)cccc3[nH]2)o1 587065214 VWFKAFLBBPFNBD-UHFFFAOYSA-N 359.212 5.709 0 1 FKAF FC1(F)Oc2cc3nc(C4(c5ccc(Cl)cc5)CCC4)[nH]c3cc2O1 587075772 KEDQUGKIKPENIX-UHFFFAOYSA-N 362.763 5.008 0 1 FKAF Cc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1C 587095415 YADOFLYXWADGTG-UHFFFAOYSA-N 358.285 5.884 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC[C@@H]4[C@@H]1CCOC1)-c1ccccc1C2=O 587101904 REKJWWAMJBYJCB-HZPDHXFCSA-N 369.464 5.211 0 1 FKAF CCCCCc1c(CC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366051 PMLARTICMSLORR-UHFFFAOYSA-N 373.496 6.952 0 1 FKAF COc1cccc(-c2cc([C@H]3CC=C(C)CC3)nc3c2oc2ccccc23)c1 587366180 TZUPYVMHOZQEQD-KRWDZBQOSA-N 369.464 6.870 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3cc(C)ccc3C)cs1)O2 587413471 OKXNDKJIZRDPCN-IBGZPJMESA-N 364.470 5.024 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C)s3)s1)O2 587413526 PCMZHADDGGKIFV-OAHLLOKOSA-N 355.484 5.382 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C)o3)cc1)CC2=O 587479708 ITRAXJFNWSHOCT-JOCHJYFZSA-N 362.425 5.620 0 1 FKAF Cc1onc(-c2ccccc2)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526695 QSQGDJDYJGYGAF-XMMPIXPASA-N 373.452 5.409 0 1 FKAF Cc1ccc([C@]2(c3ccco3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532657 MRYNKNBKFGNVNR-DEOSSOPVSA-N 358.437 5.376 0 1 FKAF O=C(c1c(-c2ccc(O)cc2)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F 587629806 INKGKFOLHKENNM-UHFFFAOYSA-N 357.690 5.078 0 1 FKAF COc1ccc(C=O)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587787209 RQTAYMWINITZGH-UHFFFAOYSA-N 360.438 5.202 0 1 FKAF O=C(O)c1cccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587950104 PJPOORHLHITWJP-YPKPFQOOSA-N 356.381 5.224 0 1 FKAF Fc1c(F)c(F)c2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2c1F 587962705 WFURAWSBJASENY-UHFFFAOYSA-N 356.322 5.377 0 1 FKAF Cc1cc2c(cc1F)[C@H](c1ccc(OCc3ccccc3)c(C)c1)NCC2 962374570 LFUREBBQTFTCDC-DEOSSOPVSA-N 361.460 5.257 0 1 FKAF Cc1cccc2c([C@@]3(C)c4ccsc4CCN3Cc3cccnc3)c[nH]c12 963020193 ZRKHCCMHSXMUMO-HSZRJFAPSA-N 373.525 5.255 0 1 FKAF CCOc1cc(C(C)C)c(C(=O)CCC(=O)OCc2ccccc2)cc1C 1857540417 ZZOFCCUOKNJHBK-UHFFFAOYSA-N 368.473 5.223 0 1 FKAF CC(C)(C)OC(=O)Nc1cc2ccccc2n1Cc1ccc(Cl)cc1 1857542407 FKDUNCWXZBJWAK-UHFFFAOYSA-N 356.853 5.690 0 1 FKAF CCn1c(=O)cc(C2CC2)c2cc(-c3cccnc3-c3ccccc3)ccc21 1857571850 XRYKXFNGWZRSHY-UHFFFAOYSA-N 366.464 5.628 0 1 FKAF CC(=O)c1cc(/C=C/c2ccc(F)cc2)cc2cc(-c3ccc(F)cc3)[nH]c12 1857588250 SRTJHRJLEXJHBO-NSCUHMNNSA-N 373.402 6.486 0 1 FKAF COC(=O)CC[C@@H]1C(=C(C)C)CC[C@H](C)[C@@]1(C)Cc1c[nH]c2ccccc12 2356615125 WEVPJDIZBLFOEP-XVWGUNQUSA-N 367.533 6.052 0 1 FKAF COC(=O)[C@]1(C)CCC[C@]2(C)C3=C(CC[C@@H]21)CC1(CC3)SCCS1 1630512 NJJRJTCHDTYRKU-QXAKKESOSA-N 366.592 5.423 0 1 FKAF CSc1[nH]c2cc(Br)cc(Br)c2c1SC 13449759 VFRWRXMTBJUTRK-UHFFFAOYSA-N 367.131 5.137 0 1 FKAF biogenic O=C(Nc1ccccc1)Nc1cc(C2CCCCC2)nn1-c1ccccc1 13474635 GKENYYBBXHLOLY-UHFFFAOYSA-N 360.461 5.564 0 1 FKAF Cc1cc2c(cc1C1(c3ccc(C(=O)O)cc3)CC1)C(C)(C)CCC2(C)C 13742682 IQIDRTFMVGFIEL-UHFFFAOYSA-N 362.513 6.122 0 1 FKAF COc1ccc(CNc2nnc(Cl)c3ccc(Cl)cc23)cc1Cl 13780942 KDKNQRPWCFDOAU-UHFFFAOYSA-N 368.651 5.211 0 1 FKAF COc1ccc([C@H]2CCc3c(cc(OC)c(CC=C(C)C)c3OC)O2)cc1 14819226 KWFJDXBDAVAWJZ-HXUWFJFHSA-N 368.473 5.287 0 1 FKAF biogenic CCCCCCOc1nsnc1C1=C[C@]2(C)CCCC[C@]2(C)N(C)C1 26288369 XRCZXVLJAJAWHZ-PMACEKPBSA-N 363.571 5.165 0 1 FKAF Cc1nc(Cl)c(-c2ccc(C(F)(F)F)cc2)c(NC2CCCC2)n1 28824760 KQHRCHFDLHKKRS-UHFFFAOYSA-N 355.791 5.479 0 1 FKAF CCCCCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1 28825628 PKFRRJSAWUWWHN-UHFFFAOYSA-N 366.214 5.716 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(CC)CC 33820584 FJSSHRJDGBNCDH-AILJCPQKSA-N 359.598 7.001 0 1 FKAF Clc1cc(Cl)c(Cl)c(-c2nc(CN3CCCCC3)cs2)c1 40866411 PWUYFPMCIOJAAO-UHFFFAOYSA-N 361.725 5.756 0 1 FKAF C[C@H](CCc1ccccc1)Nc1cc(Oc2ccccc2Cl)ncn1 82067690 XMLBUEXHPMHZKB-OAHLLOKOSA-N 353.853 5.356 0 1 FKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@H]1c1cccc(Cl)c1 84653312 KBHFUCVGIJVLCD-LJQANCHMSA-N 368.889 5.581 0 1 FKAF c1ccc2c(CCCN3[C@@H]4CC[C@@H]3c3c([nH]c5ccccc35)C4)c[nH]c2c1 100757899 HVXBCBFOONESMF-UZUQRXQVSA-N 355.485 5.344 0 1 FKAF Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 114752923 UJSCXIGMKYGOOB-UHFFFAOYSA-N 350.437 5.710 0 1 FKAF CCO[C@H](CC(=O)O)c1ccc(OCc2ccc(F)c3ccccc23)cc1 116390920 KCFOERATBKMTCI-OAQYLSRUSA-N 368.404 5.110 0 1 FKAF C[C@H]1[C@H](C)CCC[C@H]1NCc1coc(-c2ccccc2Br)n1 299810735 YTDJPRCFNNVFHH-IIYDPXPESA-N 363.299 5.018 0 1 FKAF Fc1ccc(-c2nc3ccc(Nc4ncnc5ccccc45)cc3[nH]2)cc1 299830665 OOYBINQGFXIOLA-UHFFFAOYSA-N 355.376 5.056 0 1 FKAF CC(C)[C@@H](Nc1ncnc2sc(Br)cc12)c1ccccc1 299867400 XXRQOZQNYIXNDV-CQSZACIVSA-N 362.296 5.263 0 1 FKAF Cc1c(Br)ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586885732 NRSNPMQJCBDBKP-AUUYWEPGSA-N 353.263 5.005 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586886426 FZCJHISZSQYBJX-NLFFAJNJSA-N 364.448 5.165 0 1 FKAF CC[C@@]1(C)C[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586889836 NEJXCKVAYKIVHE-OQPBUACISA-N 363.177 5.128 0 1 FKAF Cc1ccc(CSCCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586969832 AHPOGESHEAZMHI-UHFFFAOYSA-N 351.302 5.654 0 1 FKAF COc1cc(/C=C\c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046670 JFRWYOFHIMJEMP-DAXSKMNVSA-N 374.843 5.569 0 1 FKAF COc1cc(/C=C/c2nc3cncc(C)c3[nH]2)cc(Cl)c1OCC(C)C 587046786 MDCFUOVESCVXKS-AATRIKPKSA-N 371.868 5.134 0 1 FKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 587048367 HQZHRMUXULOTAB-BQBZGAKWSA-N 373.070 5.843 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(C(F)(F)F)cc2[nH]1 587066448 NXTPLCJEENPDDM-UHFFFAOYSA-N 368.786 5.555 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587070980 YVGAKLBCYKNQLW-ZDUSSCGKSA-N 354.881 5.890 0 1 FKAF CC(=O)[C@@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)C(C)(C)C 587099359 FZVRNEPGTOQMAC-NRFANRHFSA-N 357.453 5.473 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC1(CCCCC1)C4)-c1ccccc1C2=O 587100284 FFWNLVWJZYPQQT-UHFFFAOYSA-N 367.492 6.194 0 1 FKAF Cc1c(C(F)(F)C(F)(F)F)nc2cccc3c2c1-c1ccccc1C3=O 587103362 GIDRHNHEFHERRM-UHFFFAOYSA-N 363.285 5.409 0 1 FKAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(C)c(C)cc3[nH]2)cc1F 587143647 CMPQRVPSRWXYSZ-UHFFFAOYSA-N 374.415 5.225 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H]3Cc1ccccc1 587208397 VJRJDTNJDZSRSA-KRWDZBQOSA-N 361.444 5.719 0 1 FKAF CCCCCc1cc2c(s1)CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587414195 LJBGXESIAXNUJU-QFIPXVFZSA-N 369.530 5.568 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1F)(C(C)C)CC2=O 587466029 JERGCJFVEJPGDN-NRFANRHFSA-N 360.400 5.140 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc([C@H](C)OC)cc1)CC2=O 587483283 PZZQBBROGKYBMB-WNSKOXEYSA-N 368.473 5.323 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccsc3)cs1)CC2=O 587496646 ZCCSSEPKIWGMCL-GOSISDBHSA-N 370.495 5.841 0 1 FKAF C[C@@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502696 MQRJAFDVSPJLAL-FQEVSTJZSA-N 371.274 5.209 0 1 FKAF O=C1C[C@@H](c2c(F)cccc2OC(F)F)Oc2c1ccc1c2CCCC1 587505507 LLOZXTOOEJGDBP-KRWDZBQOSA-N 362.347 5.012 0 1 FKAF CC(C)Oc1ccccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523683 OGEFFNBEHSLKRX-QHCPKHFHSA-N 350.458 5.233 0 1 FKAF O=C1C[C@@H](c2cc(O)c3ccsc3c2)Oc2c1ccc1c2CCCC1 587534035 AKALKIGXMKDIIM-IBGZPJMESA-N 350.439 5.192 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(C2CCC2)c1 587600235 AEXUVPLZJPETQO-ZJSXRUAMSA-N 372.420 5.363 0 1 FKAF C[C@@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614873 DHMNZVLOPWVHQU-OFNKIYASSA-N 372.376 5.015 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)C(F)F)c(-c3cccc4ccccc34)[nH]c12 587624836 VCIDFIZLLDVREA-UHFFFAOYSA-N 369.798 6.398 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccn3)c(-c3ccc(Cl)cc3)c2c1 587639858 FAXPWBKHPRDEDE-HNNXBMFYSA-N 360.888 7.064 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(NC(=O)CCC(=O)O)c2c1 587641503 GLWLKUMSEXNDMZ-CQSZACIVSA-N 364.445 5.152 0 1 FKAF Cc1cc(-n2ncc3ccc(Cl)cc3c2=O)c2cccc(C(C)C)c2n1 587652721 GEJXOPFVHZPRPY-UHFFFAOYSA-N 363.848 5.019 0 1 FKAF CCOc1ccc(-c2nc(-c3ccc(C)c(C)c3)cs2)cc1OCC 587921436 XJFYTAXBPOZPFQ-UHFFFAOYSA-N 353.487 5.891 0 1 FKAF C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(C)c4F)c3c2)c1 1772585440 JEKGFKWIAUMDPD-UHFFFAOYSA-N 371.415 5.469 0 1 FKAF C/C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772589652 GJVKKAUAEKPRDC-WZRBLUERSA-N 369.637 6.830 0 1 FKAF CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)C(C)=CC[C@@H]12 1857635171 PNRUVGYCBDDNBW-RENLWNAWSA-N 370.577 5.874 0 1 FKAF CN(c1ccccc1)c1cc[n+](Cc2ccccc2)c2cc(Cl)ccc12 2382232445 KEXSRFPFGAXDIM-UHFFFAOYSA-N 359.880 5.597 0 1 FKAF CCCC[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](c2cccc3ccccc23)O1 72136779 PTUXSIBYNPNPKE-IIBYNOLFSA-N 366.457 5.424 0 3 FKAF COc1ccc(-c2ncn(CCc3ccccc3OC)c2CC(C)C)cc1 198628128 FYZRTJWIBVGFAU-UHFFFAOYSA-N 364.489 5.009 0 3 FKAF Cc1nc2ccc(Nc3nc(-c4ccncc4)nc4ccccc34)cc2s1 204756701 LCMQRGYBMPOFKO-UHFFFAOYSA-N 369.453 5.354 0 3 FKAF O=S(=O)(c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1)C(F)(F)F 3611759 GQAJAJXYXHDZLN-UHFFFAOYSA-N 371.163 5.079 0 1 FKAF O=C(CCCCCCc1cccc(F)c1)c1ncc(-c2ccccn2)o1 14979852 STSOBNCCLHCLCI-UHFFFAOYSA-N 352.409 5.252 0 1 FKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC[C@@H]1CCCN1 26182614 LAHSBDBGBNBBCE-BELIEFIBSA-N 368.609 5.162 0 1 FKAF CSc1nc(C)c(C(=O)OC(C)C)c(-c2cccc(Cl)c2Cl)n1 29325310 AOHSNNANGIULJQ-UHFFFAOYSA-N 371.289 5.046 0 1 FKAF COC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ccc(C=O)cc12 29484096 PCBWUDQERGSNOU-UHFFFAOYSA-N 371.392 5.231 0 1 FKAF CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)nc1Cl 40975778 LKIPBDJXSAGBTO-UHFFFAOYSA-N 361.917 5.357 0 1 FKAF Cc1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)C(=O)CCC3)cc1 73219977 LCVQZNHPPONAGW-UHFFFAOYSA-N 371.267 5.674 0 1 FKAF CC1(C)[C@H]2CC[C@H](CNc3cc(Oc4cccc5ccccc45)ncn3)[C@@H]1C2 82067415 ONLLDIMFIZFCOL-HBFSDRIKSA-N 373.500 5.906 0 1 FKAF C[C@@H](NC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1 95603601 CAZBDURCPDIMPA-LJQANCHMSA-N 358.485 5.269 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN3CCCCC3)CCC[C@@]21C 96269539 XNENHSJMFMMYLB-QIGHUWCUSA-N 373.669 7.612 0 1 FKAF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(-c3ccccc3)ccc12 102872457 DBPORHOBQZRQDR-ZJSXRUAMSA-N 369.464 5.925 0 1 FKAF CCCSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(Cl)c1 103957411 IPLJUWGECBMXQC-UHFFFAOYSA-N 369.877 5.386 0 1 FKAF COc1cc(C)c(-c2cnc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1 213597294 LKTNVFPJFKZIFM-UHFFFAOYSA-N 367.811 5.401 0 1 FKAF CCCCC[C@H](C)SC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 253637603 JPUVEYMMQIVSGF-BHPVSCQWSA-N 368.583 5.683 0 1 FKAF Cc1ccccc1-c1nc2ccc(Nc3ncnc4ccccc34)cc2[nH]1 299829188 KYOSGODPELBQDW-UHFFFAOYSA-N 351.413 5.225 0 1 FKAF CC[C@]1(C)C[C@@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 586887302 FZRRUJIDGSMDLO-PIGZYNQJSA-N 351.288 5.264 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587070886 XZMQJOKDZHLDIC-SNVBAGLBSA-N 366.770 5.612 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2cc(Br)c(F)cc2[nH]1 587155593 MQCIFNJVSUKTMO-AWEZNQCLSA-N 367.193 5.134 0 1 FKAF CCc1c(-c2cc(Br)ccc2F)nc2cccc3c2c1CC3 587210228 KLVSNSQRWZFRNA-UHFFFAOYSA-N 356.238 5.464 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C(C)(C)C)nc1C(C)C)CC2=O 587474439 DZRZMIKPKHQYMC-LJQANCHMSA-N 370.493 5.126 0 1 FKAF O=C1C[C@H](c2c[nH]c3ccc(Cl)cc23)Oc2c1ccc1c2CCCC1 587497039 DWLIJVHSGHGQHH-HXUWFJFHSA-N 351.833 5.407 0 1 FKAF O=C1C[C@H](c2ccc3cc(Cl)ccc3n2)Oc2c1ccc1c2CCCC1 587497733 GHCYVFYQIBWLSG-OAQYLSRUSA-N 363.844 5.474 0 1 FKAF O=C1C[C@H](c2ccc3ccnc(Cl)c3c2)Oc2c1ccc1c2CCCC1 587498500 ITCAEWVFMHZSRX-HXUWFJFHSA-N 363.844 5.474 0 1 FKAF CN(C)c1ccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 587513827 ULZXGNIOIDATSH-XMMPIXPASA-N 371.480 5.491 0 1 FKAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1SC 587532149 LQRUFLRQBJOZFO-JOCHJYFZSA-N 368.498 5.177 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3c[nH]c4ccc(F)cc34)c(C(F)(F)F)c2c1 587640310 HCRZWMFNHPZCTL-NSHDSACASA-N 374.381 6.988 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](C)c2ccccc2)N1 587810995 FKEBCWYZQVHWAS-VPZZIHKRSA-N 362.286 5.141 0 1 FKAF CC[C@@]1(c2cccc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812161 IOLMSLKIBFFDLA-DJJJIMSYSA-N 362.286 5.084 0 1 FKAF Fc1c(Br)ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 587966644 KCSDFKBBXBJOOW-UHFFFAOYSA-N 361.258 5.304 0 1 FKAF O=c1oc(-c2ccccc2)cc2c1c1ccccc1n2Cc1ccccc1 653728684 KXDXNFNBOJFXLK-UHFFFAOYSA-N 351.405 5.463 0 1 FKAF CCCc1ccc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)cc1 961610930 CDWGARUOVWKRKW-LJQANCHMSA-N 356.307 5.169 0 1 FKAF Clc1cccc2c1[C@]1(CCC2)NCCc2cc(-c3ccccc3)ccc21 962673307 YFRGLISLXPEAGF-XMMPIXPASA-N 359.900 5.733 0 1 FKAF CCCc1nc2ccccc2n1Cc1ccc(-c2cccc(C(=O)O)c2)cc1 1772585786 VDZUXKOEMHGTFA-UHFFFAOYSA-N 370.452 5.402 0 1 FKAF Cc1nc[nH]c1CCCO[C@@H](c1ccccc1)c1nc2ccccc2s1 1772651684 HCMKBNJQHJRUIH-FQEVSTJZSA-N 363.486 5.067 0 1 FKAF Clc1ccc(Nc2cc3oc(-c4ccco4)nc3c3ccccc23)cc1 1857630527 UHBPTYJXLVTVEE-UHFFFAOYSA-N 360.800 6.638 0 1 FKAF COc1ccc(-c2c(-c3ccccc3OC)sc3ccccc23)cc1C=O 36388660 LESQTAFRRWTPBU-UHFFFAOYSA-N 374.461 6.065 0 3 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCOCC1 26393261 RUKZVIXSXGGFHW-DOFZRALJSA-N 373.581 5.991 0 1 FKAF CN(CCCc1ccccc1)[C@@H]1Cc2ccccc2[C@H](c2ccccc2)C1 26835595 CTCJWIWEGWIVRG-RSXGOPAZSA-N 355.525 5.698 0 1 FKAF CC/C=C/CCSC[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 36190222 YDJGESKTURUXSO-JRPNEIFNSA-N 352.540 5.071 0 1 FKAF Oc1cccc(C2=Nc3ccccc3S[C@@H](c3ccccc3Cl)C2)c1 40975324 YYYOUAUHXOGQNU-OAQYLSRUSA-N 365.885 6.404 0 1 FKAF CCCCCc1cc(O)c2c(c1OC(C)=O)O[C@@](C)(CCC=C(C)C)C=C2 43019103 ZIPSGGAAGYQIFR-QHCPKHFHSA-N 372.505 5.961 0 1 FKAF biogenic CCCCCS[C@H]([C@H](OCC)c1ccc(Cl)cc1)n1ccnc1 45372861 VQBLRBCMOWIRGB-QZTJIDSGSA-N 352.931 5.736 0 1 FKAF CCC1=C[C@@H](C)[C@@H]2C(C)=C[C@@](/C=C/c3ccccc3)(CC)[C@](C)(C(=O)O)[C@@H]12 58591283 DGVIYEMUVWSVTP-OXAAXFJDSA-N 364.529 6.366 0 1 FKAF C[C@H](Nc1cc(-c2cccc(-c3ccccc3)c2)ncn1)c1ccc(F)cc1 82162449 ZFBAWJVFVIQKNK-KRWDZBQOSA-N 369.443 6.123 0 1 FKAF C[C@@H](CCNCc1ccc(Cl)cc1)COc1cccc2ncccc12 95593484 CLUIYPQONMQFOB-INIZCTEOSA-N 354.881 5.083 0 1 FKAF Cc1ccc(C(=O)Nc2cccc(-c3ccnc4c(N)cccc34)c2)cc1C 103271966 VWZMUTKRHRJQOX-UHFFFAOYSA-N 367.452 5.353 0 1 FKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(OCc3cccs3)cc21 143344147 UCCYIMFETHERPF-GOSISDBHSA-N 362.372 5.106 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)NCCF 169315579 ZNDRUZOGIIWDGZ-AVHBIOJASA-N 364.549 6.011 0 1 FKAF CN1[C@H]2CC[C@H]1[C@@H](c1cc(C(C)(C)C)no1)[C@@H](c1ccc(Cl)cc1)C2 201535555 MCXVQEGECPBTDZ-CLWJZODNSA-N 358.913 5.359 0 1 FKAF CCCCCc1ccc(-c2csc(=Nc3cccc(SC)c3)[nH]2)cc1 473083262 BIUTYZRGPCKVDR-UHFFFAOYSA-N 368.571 6.430 0 1 FKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 587051540 TWLMSWKPPCGOAD-NKWVEPMBSA-N 373.070 5.843 0 1 FKAF Clc1cccc(/C=C/c2nc3c(Br)ccnc3[nH]2)c1Cl 587053334 CQHPWFGDDYVFFS-SNAWJCMRSA-N 369.049 5.198 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(O)c(Cl)c3)nc3cccc1c23 587103470 IIQSYTZZHSHIOO-UHFFFAOYSA-N 357.796 5.472 0 1 FKAF Fc1ccc(-c2ccccc2-c2nc3cc(Cl)c(F)cc3[nH]2)cc1F 587144627 BDRGBOMEBDKGCU-UHFFFAOYSA-N 358.750 5.968 0 1 FKAF CCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C(C)C 587364884 FNFXHBBUBSZKOJ-UHFFFAOYSA-N 359.469 6.733 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccccc3)cc1C)O2 587398564 FNAIGCGSFLLFMH-HSZRJFAPSA-N 373.452 5.171 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(C)cc4)cc1)[C@@H](C2)C3=O 587443767 BVNLTMHFXBBMTC-OFVILXPXSA-N 370.448 5.333 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccc(C)cc4)c1)[C@@H](C2)C3=O 587446017 RLXOKMABUUZIPN-GBXCKJPGSA-N 356.421 5.159 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(c1cc(F)c(F)cc1F)CC2=O 587468042 WMQISCVAIMZXCA-FQEVSTJZSA-N 364.363 5.033 0 1 FKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1SC 587531777 JNQSBXINPZQCHT-GOSISDBHSA-N 354.471 5.002 0 1 FKAF O=C1C[C@@]2(CCSc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587538257 OIWXKVFBFLFMEE-OAQYLSRUSA-N 370.901 5.575 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1[C@](O)(c1ccccc1)C(F)(F)F 587630229 WJYYGPQEXMPCGC-MRXNPFEDSA-N 357.734 5.067 0 1 FKAF Cc1cccc2c1[C@H](C)C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587816614 BHDQGKONUHSNLM-MTJIALIYSA-N 374.297 5.182 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCCCCCCC2)N1 587817538 LTZQZIUNHJSNDV-ZDUSSCGKSA-N 354.307 5.452 0 1 FKAF CC[C@@H]1C[C@H](C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587818218 CWERCOIRHQXQIG-JCTQEILZSA-N 354.307 5.164 0 1 FKAF CC(C)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587819034 GIMAROGKEQTZDY-UVBSCNOISA-N 354.307 5.164 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2csc(Cl)c2)N1 587849159 QZUCYAXFTGZQOE-GLEZIHRCSA-N 374.706 5.101 0 1 FKAF Cc1ccc(-c2ccc(-c3nc(-c4cccc(Cl)c4)cs3)cc2)cc1 587920905 QUHFPUAATDSOMA-UHFFFAOYSA-N 361.897 7.106 0 1 FKAF COc1ccc(CCCc2nc3cc(Cl)c(Cl)cc3[nH]2)c(OC)c1 587928802 MHQQLYITUXJLIT-UHFFFAOYSA-N 365.260 5.062 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587958656 DTVXOAGSZZLKLS-UHFFFAOYSA-N 370.349 5.686 0 1 FKAF CC(C)=CCC/C(C)=C\c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587967832 MSSHIYOJEKLZCM-SSZFMOIBSA-N 373.525 6.989 0 1 FKAF C[C@]1(c2cccc(OC(F)(F)F)c2)c2c(F)cccc2C[C@@H]2CCCN21 963109600 MGJIINCAEOKDKQ-KXBFYZLASA-N 365.370 5.008 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cnc(S[C@H](C)CC)nc1 963231940 BPKASJGJUPOROZ-QINHECLXSA-N 355.551 5.113 0 1 FKAF Cc1cccc(C(=O)Nc2cccc(-c3cc4ccccc4n3C(=N)O)c2)c1 1772592901 ZRLFAGYGUMAGMA-UHFFFAOYSA-N 369.424 5.210 0 1 FKAF Fc1ccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc43)c2)cc1 1857538362 PEDACAOWLSQRGN-UHFFFAOYSA-N 367.447 5.318 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3F)nc3c2Cc2cccc(O)c2-3)cc1 1857565394 RKJMMDFDPPSJHE-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CC(C)CC[C@@H](C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1 1911577394 ITLDHWINGMGTMS-JOCHJYFZSA-N 353.506 5.030 0 1 FKAF CC[C@@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 2356320235 ORZBNFZTRWEXII-HXYRUMOKSA-N 360.538 5.310 0 1 FKAF O[C@H](c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2Cl)c[nH]1 61904963 OSLNSFHEQBAFMI-OAHLLOKOSA-N 353.636 5.119 0 3 FKAF Clc1cccc(Cl)c1[C@H]1SCc2nc3cc4ccccc4cc3n21 1649574 IYQCNTPKYKWELS-LJQANCHMSA-N 371.292 6.290 0 1 FKAF O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1OC2 26838207 HQTLOVDISUUBAN-UHFFFAOYSA-N 371.367 5.299 0 1 FKAF CCCCC[C@@H](O)CCC[C@@H](CCCc1cccc(C(=O)O)c1)C(C)=O 27085966 IMGVNPALGBFDNS-TZIWHRDSSA-N 362.510 5.024 0 1 FKAF Brc1cccc2c3c([nH]c12)[C@H](NCc1ccccc1)CCC3 40953400 UXECCMIZPCXQJO-QGZVFWFLSA-N 355.279 5.098 0 1 FKAF Cc1ccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 45285961 DIADJINIBFEMEL-UHFFFAOYSA-N 371.524 5.143 0 1 FKAF in-vitro C[C@H]1C[C@@H](NCc2coc(-c3ccc(-c4ccccc4)cc3)n2)CC(C)(C)C1 72180470 GQDUWEFODKVNOL-PGRDOPGGSA-N 374.528 6.313 0 1 FKAF CCN(CC)C(=O)c1c(/C=C\c2ccc3ccccc3c2)cccc1OC 95588255 NJHJOOAWCOWXCF-PEZBUJJGSA-N 359.469 5.501 0 1 FKAF CCN1CCN(C2=Nc3ccc(C(C)C)cc3CC=C2c2ccccc2)CC1 100764484 UDACHYARWVWOKC-UHFFFAOYSA-N 373.544 5.117 0 1 FKAF c1ccc(C2=Nc3ccccc3[C@]23[C@H](c2ccccc2)N3c2ccccc2)cc1 103276238 VCYCTGASUJLJTF-ZDCXKQOISA-N 372.471 6.278 0 1 FKAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 153280572 HWRYKNYRSRPFPM-WBWOLYEASA-N 372.637 6.855 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(Br)ncc(F)c4[nH]3)cc2)o1 586902566 GDEOLRKVUBPJIW-UHFFFAOYSA-N 372.197 5.095 0 1 FKAF Cc1nc(-c2c[nH]cc2-c2nc3cc(C)c(Br)cc3[nH]2)cs1 587021686 PDCGLOQHYXHVCV-UHFFFAOYSA-N 373.279 5.061 0 1 FKAF FC(F)(F)c1c(Br)ccc2nc(/C=C\c3ccsc3)[nH]c12 587026553 VMDPBPDFNOUTTC-RJRFIUFISA-N 373.197 5.576 0 1 FKAF Oc1nccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587047484 ISIYWVKJRNVGMF-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF Clc1ccc(C2=C[C@H](c3nc4cc(Cl)c(Cl)cc4[nH]3)ON2)cc1 587075640 FYWHEACJWSYRFO-OAHLLOKOSA-N 366.635 5.140 0 1 FKAF CC1=C(Br)c2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587102499 VUYSDVIRXOUSNE-UHFFFAOYSA-N 362.226 5.128 0 1 FKAF Cc1ccc(/C=C\c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1F 587146173 CDUIUNKGHWDXDO-SREVYHEPSA-N 359.242 5.560 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 587162492 BTZDLYOKVNGOPN-UHFFFAOYSA-N 364.232 5.799 0 1 FKAF Fc1cc(Cl)ccc1-c1ccc(-c2cc3c4c(cccc4n2)CC3)s1 587210590 RPIWJRVIZCZBDY-UHFFFAOYSA-N 365.860 6.521 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2cccc(C(C)(C)C)c2[nH]1 587241350 ZJXFHTZETTWRNF-UHFFFAOYSA-N 371.484 6.280 0 1 FKAF CC[C@]1(CSc2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587409586 MRTWSMREOBYVSU-LJQANCHMSA-N 361.894 5.137 0 1 FKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(C)ccc1C)[C@@H](C2)C3=O 587445660 LSOFGDSZQHTNCV-OFVILXPXSA-N 370.448 5.003 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCSc3c(Cl)cccc31)CC2=O 587494517 KLUDNOWHDHACIV-HXUWFJFHSA-N 374.889 5.355 0 1 FKAF CC[C@@H](C)c1ccc([C@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522569 IYKXVPZWXAQYEO-NSYGIPOTSA-N 362.513 6.350 0 1 FKAF O=C1C[C@@H](c2ccc(Oc3ccccc3)o2)Oc2c1ccc1c2CCCC1 587531555 HDHKXNXGYGLTTP-NRFANRHFSA-N 360.409 5.657 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(F)cc2)N1 587735504 QCPWGZFXLGJVCM-KDXHWZMMSA-N 364.233 5.016 0 1 FKAF CC(C)=C1CC[C@@H](C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587817127 IVWQCKDYWOTSQZ-VPZZIHKRSA-N 366.318 5.474 0 1 FKAF Cc1ccc(C)c(C[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587821908 YPEDPGYXJJMEEJ-YJYMSZOUSA-N 362.286 5.023 0 1 FKAF COc1ccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)s2)cc1 653726483 BBOVOXQEMVYCHF-UHFFFAOYSA-N 352.246 5.264 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\[C@H](C)/C=C\CCCC(=O)NCCO 1911591157 DYIIIMYTCWNUID-PGLRJTKFSA-N 361.570 5.487 0 1 FKAF O=C(O)C=C[C@@H](CCCCCCCCCCCCCO)Nc1ccc[nH]1 2356364949 CAWAHBNEDJKFEL-LJQANCHMSA-N 364.530 5.110 0 1 FKAF CC(C)c1ccc(NC(=S)N2CCCC(c3ccc(F)cc3)=N2)cc1 1046418 HKISSLAJFUDBAS-UHFFFAOYSA-N 355.482 5.146 0 3 FKAF N[C@@H](c1csc(NC(=O)Nc2cccc(Cl)c2)n1)C1CCCCC1 61896302 QSJGUZXUCAPLTE-OAHLLOKOSA-N 364.902 5.021 0 3 FKAF O=C(NC1CCCC1)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774561 WPNGWJBROABCAK-UHFFFAOYSA-N 372.877 5.396 0 1 FKAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 1622070 QBEFIFWEOSUTKV-KURKYZTESA-N 370.577 7.457 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(C)cc1 13441088 FHPWUWXBZPBBSL-UHFFFAOYSA-N 353.550 6.529 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1[C@H](C(=O)O)CC(C)=C[C@@H]21 26837251 UQRMVLZMWMWTOL-RZQQEMMASA-N 358.478 5.047 0 1 FKAF Clc1ccc(CCN2[C@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)cc1Cl 27102789 KQHWFSJEUGZFOE-VBKZILBWSA-N 371.311 5.779 0 1 FKAF CCCCc1ncc(-c2ccc(C(=O)O)cc2)n1Cc1ccccc1Cl 27301842 BOHRHHHBIKNECB-UHFFFAOYSA-N 368.864 5.293 0 1 FKAF C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1C3=CC[C@H](c4ccc(=O)oc4)[C@@]3(C)CC[C@H]12 27633853 LPARRDGBTTTYTR-GPYWOEBUSA-N 368.517 5.047 0 1 FKAF CC(C)=CCOc1cc(Nc2nccc(C(F)(F)F)n2)ccc1Cl 28568027 HKWGAORJFOAVDY-UHFFFAOYSA-N 357.763 5.237 0 1 FKAF Cc1ccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)cc1 28703828 YAXKDFFAKGXIMN-UHFFFAOYSA-N 374.469 5.498 0 1 FKAF CCOC(=O)/C(=C/Nc1cc(Cl)cc(Cl)c1)c1ccc(OC)cc1 28714123 VBVGAJAPIJGBLU-GZTJUZNOSA-N 366.244 5.018 0 1 FKAF CC1(C)CCc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2[C@H]1O 40393017 NVKLAUQZYRMPMH-LJQANCHMSA-N 368.864 5.079 0 1 FKAF COc1cccc(CSc2nc(Cl)cc(Cc3ccccc3)n2)c1 49048102 FUVJOGOZYXOVEL-UHFFFAOYSA-N 356.878 5.022 0 1 FKAF CC(C)NC(=O)N(Cc1ccccc1)Cc1cccc(Oc2ccccc2)c1 66076547 QZHUGIIACHSSON-UHFFFAOYSA-N 374.484 5.599 0 1 FKAF CCOC(=O)/C(=C\Nc1ccccc1)c1ccc(OCc2ccccc2)cc1 72175552 DQSHOTPHOIJLQM-QJOMJCCJSA-N 373.452 5.282 0 1 FKAF C[C@@H](Nc1cc(-c2cccc(-c3ccccc3)c2)ncn1)c1ccc(F)cc1 82162450 ZFBAWJVFVIQKNK-QGZVFWFLSA-N 369.443 6.123 0 1 FKAF CCCCc1ccc2c(c1)sc(=O)n2CCCCN1CCCCCC1 96916527 YNWBVTNMCIMOOT-UHFFFAOYSA-N 360.567 5.062 0 1 FKAF O=C(O)/C=C/c1ccccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 586878146 ALTAMCVMFAMSJU-JLHYYAGUSA-N 372.449 5.479 0 1 FKAF Cc1ccc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)cc1C 586992463 WPNXCFYUHIUYPS-UHFFFAOYSA-N 365.432 5.744 0 1 FKAF COc1cccc(-c2ccc(-c3nc4cc(F)cnc4[nH]3)c(Cl)c2)c1 587051216 AXMQQBLNCNGFKJ-UHFFFAOYSA-N 353.784 5.093 0 1 FKAF Fc1c(Cl)cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1F 587077373 SHUJROHYTPGJBU-UHFFFAOYSA-N 353.199 5.618 0 1 FKAF CC[C@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353510 LDPFRESOFHGUDK-FYYLOGMGSA-N 368.448 5.619 0 1 FKAF CCC[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357554 VETJQXJHNCCIOE-KNQAVFIVSA-N 356.437 5.475 0 1 FKAF Cc1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587495426 CEZLWOIJBZSFEY-LJQANCHMSA-N 371.274 5.343 0 1 FKAF CCc1ccccc1-n1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587514018 DRFRJGCHMHHSOO-XMMPIXPASA-N 371.480 5.625 0 1 FKAF Cc1cccc(-c2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)c1 587515786 RJRXINGDCFBAKU-JOCHJYFZSA-N 370.452 5.037 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2s1 587616936 HOALULSXQBSQQS-SIKLNZKXSA-N 374.417 5.310 0 1 FKAF COC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587630361 ZCJFGTAFMAGFOE-UHFFFAOYSA-N 371.717 5.433 0 1 FKAF CCCc1c(-c2ccc(Cl)cc2Cl)[nH]c2ccc([C@H](C)CC)cc12 587639801 CVSJXRQSHSHIRE-CYBMUJFWSA-N 360.328 7.608 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(-c3ccc(C)cc3)c2c1 587642169 PYPQTOJUVZKNLR-QGZVFWFLSA-N 373.927 7.977 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CC2)(c2ccccc2)N1 587814687 IBZRFWQOYPZQAC-ZUOKHONESA-N 374.297 5.166 0 1 FKAF Cc1ccc([C@@]2(C(F)(F)F)NCCc3cc(-c4ccccc4)ccc32)cc1 962667794 VSFSOXJRUKDHIL-JOCHJYFZSA-N 367.414 5.614 0 1 FKAF Cc1cccc([C@]2(c3ccccc3Cl)NCCc3c2sc(C)c3C)n1 963011239 ORUDRBDFLWNCNM-NRFANRHFSA-N 368.933 5.159 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(Cc1ccccc1)c1ccccn1 963232428 SIAMLNSSRFUSDO-NLFFAJNJSA-N 356.513 5.225 0 1 FKAF Cc1ccsc1-c1noc(COCC2(c3ccc(Cl)cc3)CCC2)n1 1772599224 QCBLDAAFEGSEGP-UHFFFAOYSA-N 374.893 5.398 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(F)c3)nc3c2Cc2cccc(O)c2-3)c1 1857575084 ZALQNGMCJMLOLB-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF Oc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 1857620992 NMQQDFFZFNMZMA-UHFFFAOYSA-N 354.331 5.621 0 1 FKAF CCOC(=O)c1cnc2ccc(OCc3ccccc3)cc2c1SCC 1857634806 JGERPIPAWWMTRO-UHFFFAOYSA-N 367.470 5.103 0 1 FKAF CC(C)=C[C@@H](O)[C@H](O)C(C)=CCCC(C)=CCc1c[nH]c2ccccc12 2356435902 RWUFSDSPFFBHHT-DHIUTWEWSA-N 353.506 5.071 0 1 FKAF CC(C)=CCCC(C)=CCN(C)C(=N)N(C)CC=C(C)CCC=C(C)C 2356679950 NQJSPBXUQXWVRB-UHFFFAOYSA-N 359.602 6.170 0 1 FKAF c1ccc2cc(Cn3ccc4ccc(-c5ccc6cc[nH]c6c5)cc43)ccc2c1 200475505 IXIZZAVCBUPUCN-UHFFFAOYSA-N 372.471 6.991 0 3 FKAF Cc1ccccc1Nc1nc(N(C)c2ccccc2)c2cccc(O)c2n1 584792 ZIIVYURONGRZQL-UHFFFAOYSA-N 356.429 5.155 0 1 FKAF CCCCC[C@H](CC)CNc1nc(C)nc2cc(-c3ccccc3)[nH]c12 13835020 CEZFQGRFQYXJOQ-KRWDZBQOSA-N 350.510 5.952 0 1 FKAF Fc1ccc(-c2[nH]cc(C3=C[C@@H]4CCCCN4CC3)c2-c2ccncc2)cc1 13918246 TZPIIYHXOQCLOA-NRFANRHFSA-N 373.475 5.524 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccncc1 27624924 XAAZZZPPMNDFEH-MIAWPZAFSA-N 351.534 5.489 0 1 FKAF O=c1oc2c3c(ccc2c(O)c1Cc1cccc2ccccc12)CCCC3 45261496 QBNGRDQEQKAJRX-UHFFFAOYSA-N 356.421 5.121 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1ccnc1C 45366176 CGMPVPXRJZJNIB-IAGOWNOFSA-N 352.931 5.653 0 1 FKAF CC(C)(C)C(=O)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 64532201 ADAIXZRFHNMDSG-UHFFFAOYSA-N 373.663 6.391 0 1 FKAF Cc1cccc(NC(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)c1 66075949 IKSQBZNQXSUDBN-UHFFFAOYSA-N 364.474 5.197 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 66123835 HIGFJBWLJMUGFT-XTNBKHNLSA-N 368.605 7.327 0 1 FKAF in-vitro CCCCOc1ccc(-c2nc(CN[C@H]3C[C@H](C)CC(C)(C)C3)co2)cc1 72181931 SELQFKLKFUYJGF-HKUYNNGSSA-N 370.537 5.825 0 1 FKAF CCCCCc1nc(-c2cnc(N3CCCC3)nc2-c2ccco2)oc1C 82165623 NGEUACXRDUIQLI-UHFFFAOYSA-N 366.465 5.033 0 1 FKAF CC[C@H](C)C[C@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197720 MTNMQRCVEVQDPA-QWRGUYRKSA-N 373.444 5.292 0 1 FKAF CCCCSCSC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169366519 WQIBDBVSAJGYND-ADJPFWSGSA-N 372.596 5.205 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(CNc3ccccc3Cl)[nH]c2c1 587062978 YQHCWGUVGOITGC-UHFFFAOYSA-N 361.832 5.059 0 1 FKAF Cc1ccc2c3c(c4c(nc13)COc1ccccc1C4)-c1ccccc1C2=O 587100507 AWTSXNGHZSQZKS-UHFFFAOYSA-N 363.416 5.238 0 1 FKAF CCOc1cc(/C=C\c2nc3ccc(F)c(C)c3[nH]2)ccc1OC(F)F 587129608 DZSYQLXQUJBFHN-UITAMQMPSA-N 362.351 5.181 0 1 FKAF Cc1cc(C)c2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 587149511 HTJBHPAWOZQFEW-NRFANRHFSA-N 364.395 5.626 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3Cl)cc1)O2 587375859 AEDYZFUMUZGXRV-NRFANRHFSA-N 363.844 5.604 0 1 FKAF CC[C@@]1(CSc2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448725 MJHYSCPRHDXSFQ-UZLBHIALSA-N 374.889 5.037 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccn3)cc1)CC2=O 587493085 ZOINFARIFUJHNW-JOCHJYFZSA-N 359.425 5.113 0 1 FKAF CC(C)c1ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c2c1 587522982 GHOPHGCROWZTCZ-HSZRJFAPSA-N 359.469 5.877 0 1 FKAF O=C1C[C@@H](c2ccsc2Br)Oc2c1ccc1c2CCCC1 587530311 FHMFOLJGIIEBQW-HNNXBMFYSA-N 363.276 5.096 0 1 FKAF CCC[C@@]1(c2cc(C)sc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587533967 ZXRZTMDNVFCTPU-QFIPXVFZSA-N 354.515 5.905 0 1 FKAF O=C(c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(F)ccc12)C(F)F 587634313 VBXFEBDDIVICDO-UHFFFAOYSA-N 358.146 5.729 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccccc2F)N1 587725047 BICDAIZLEYQCIQ-WJLVXLOQSA-N 364.233 5.016 0 1 FKAF CC(C)CC[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814967 XDMZFBKRMJWILS-YJYMSZOUSA-N 370.350 5.800 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccccc1Cl 587864109 LBOBEORWRPKGHZ-UHFFFAOYSA-N 366.770 5.610 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)cc1 587935456 LIMODLUKBYTRJM-UHFFFAOYSA-N 351.409 5.454 0 1 FKAF FC(F)(F)c1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cc1Cl 587968652 MZUJKJYJHOVADT-CMDGGOBGSA-N 372.777 6.559 0 1 FKAF Oc1ccc(-c2cc(-c3cccs3)cc(-c3ccccc3Cl)n2)cc1 653731279 VQYWRJNXQUNWCX-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF Cc1ccc(CN(Cc2ccc(C)cc2)C[C@@H](O)/C=C/c2ccccc2)cc1 1857751181 YZBOJDPKEYCMIF-ZOGILVBSSA-N 371.524 5.380 0 1 FKAF CC[P@](=O)(OC)c1ccc2oc(-c3ccccc3C(F)(F)F)nc2c1 1911578771 KOVYLSJJKWZNAY-VWLOTQADSA-N 369.279 5.083 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)CC(c2cccnc2)=NO1 13682724 ZEPLKWCPXKSSGO-IBGZPJMESA-N 369.877 5.207 0 3 FKAF CCCCNC(=O)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1 95599073 JIRYWVSLTSGJIL-UHFFFAOYSA-N 354.837 5.192 0 3 FKAF CC(C)c1cccc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)n1 13673130 XUVCSZJHIXRULW-AMQRFOADSA-N 353.506 5.222 0 1 FKAF CC(=O)OC1=C(c2ccc(F)cc2)Sc2ccccc2-n2cccc21 13739877 ACVAYFWUOYGQCJ-UHFFFAOYSA-N 351.402 5.111 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(=O)NCC 13797930 CIXKMOKCEUDUJA-GKFVBPDJSA-N 361.570 6.878 0 1 FKAF C[C@@H]1CC[C@@H]2C(C)(C)[C@@H]3C[C@]12CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1 27423345 QJVGPUYCCNEQKK-LYHIWBSPSA-N 369.549 5.534 0 1 FKAF Cc1ccc(C(=O)c2sc(Nc3ccc(F)cc3)c(C(=O)O)c2C)cc1 28713198 ZYECKAHWBADMHC-UHFFFAOYSA-N 369.417 5.177 0 1 FKAF CCCC[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@]2(C)[C@H]1O 28872168 WJBKGRUNPGQDCH-GAKJJMACSA-N 358.522 5.034 0 1 FKAF O=C1C[C@@H](c2ccccc2)c2c(ccc3cc(-c4ccccc4)ccc23)O1 29151357 NGWGSPNTPBEGOR-QFIPXVFZSA-N 350.417 5.948 0 1 FKAF CC1=C(CC(=O)O)c2ccc(Br)cc2/C1=C\c1ccsc1 38794132 ALAVELGECUJLKK-NSIKDUERSA-N 361.260 5.313 0 1 FKAF O=C(O)c1ccccc1Nc1ccc(CCc2ccccc2Cl)cc1 40411810 RVRFWXMNALMQNZ-UHFFFAOYSA-N 351.833 5.567 0 1 FKAF CCCO[C@H](c1ccc(Cl)c(Cl)c1)[C@H](OC(C)(C)C)n1ccnc1 45390754 QQILTWWBPOTEJI-SJORKVTESA-N 371.308 5.672 0 1 FKAF CCC(=O)Nc1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)n1 66103255 DLONAQOWIBAYSN-UHFFFAOYSA-N 372.255 5.466 0 1 FKAF CC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)NCC(=O)O 66112413 YBZWGRQEULPTCZ-MBMMKWFLSA-N 371.521 5.275 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1cc2ccccc2oc1=O 72122906 KFEFEJGESATHEF-NKFKFSAASA-N 366.501 6.591 0 1 FKAF Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(-c2ccccc2)n1 73220767 VWVIAEYASGOZBI-UHFFFAOYSA-N 374.267 5.822 0 1 FKAF O=C(CCCCCCc1nc(-c2ccc(Cl)cc2)no1)C(F)(F)F 141515387 UICKUIMSUIYJBI-UHFFFAOYSA-N 360.763 5.014 0 1 FKAF CC1=CC[C@@H]2[C@@H]([C@@H](C)CC/C=C(\C)C(=O)O)CC[C@@]2(C)CC2=C(C)CC[C@@H]12 238740974 RLOJDPOJHFERLF-IMGKSJEVSA-N 370.577 6.933 0 1 FKAF Cc1cc(C)c2nc(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)[nH]c2c1 586878583 GMSUOZUQIIBHKV-UHFFFAOYSA-N 356.425 5.520 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c(Cl)ccnc2[nH]1 587074599 YASUMGFLJAIFCC-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF Oc1cccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082789 UQIGCANLIRWBKI-UHFFFAOYSA-N 371.827 5.804 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C=C(c1ccccc1)CC4)-c1ccccc1C2=O 587100441 KGAIHALBVUDSOF-UHFFFAOYSA-N 373.455 6.241 0 1 FKAF Cc1c(F)ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587128397 LRLLEIXIKKEDOD-UHFFFAOYSA-N 359.376 5.739 0 1 FKAF Cc1c(-c2nc3cc4ccccc4cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166152 NTBONUKNQQEKDS-UHFFFAOYSA-N 355.416 5.836 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)/C(=C\c1ccccc1)CCC3 587208206 RMPMUGUJNKYCAA-VLGSPTGOSA-N 373.455 6.323 0 1 FKAF COc1cccc(-c2cc(-c3cccnc3N)nc3c2oc2ccccc23)c1 587361965 DFTKZVDUOZVVBT-UHFFFAOYSA-N 367.408 5.301 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](c1ccccc1)c1cc(C)ccc1C)O2 587405483 LLECWNNKOIQQJS-ZEQRLZLVSA-N 371.480 5.360 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(F)(F)F)c1F)CC2=O 587459702 FMSDKBDKQBRJFK-INIZCTEOSA-N 368.326 5.209 0 1 FKAF C[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502830 BLCRQBPNCPMKNU-RBZFPXEDSA-N 374.402 5.722 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3Cl)c(CC(=O)O)c2c1 587642361 RGWNKFWAMZAKKT-LBPRGKRZSA-N 371.864 5.638 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 587933030 SYPZBHSDAKPOIL-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(F)cc(Br)c2[nH]1 587953004 YWIVOTDLNQRDCH-WBIUFABUSA-N 369.278 5.511 0 1 FKAF CN(C/C=C/c1ccc(C(F)(F)F)c(F)c1)Cc1cccc2cc[nH]c12 1772574069 AAJNUBITAHYWKS-ONEGZZNKSA-N 362.370 5.471 0 1 FKAF Oc1ccc2c(c1)Cc1c(-c3ccccc3O)cc(-c3cccc(F)c3)nc1-2 1857563856 KAVOMKSJJQBYMX-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF C[C@@H]1CC[C@H]2[C@@H](C1)c1c(O)cc(C=Cc3ccccc3O)cc1OC2(C)C 2356669400 ADICELGPGMRQFN-LZQZEXGQSA-N 364.485 5.959 0 1 FKAF CCC[C@@H](O)CC[C@](C)(O)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356716544 QFNAZHJHBGQQAF-ZJSXRUAMSA-N 364.614 6.712 0 1 FKAF Clc1cccc(CCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1 28120610 VADMCVRXWFEDMN-ZRZAMGCNSA-N 360.888 5.757 0 1 FKAF CCCCCCOc1c(OC)cc(N[C@@H](C)CCCN)c2ncc(C)cc12 28218999 NNPMINVFTUETPZ-KRWDZBQOSA-N 373.541 5.050 0 1 FKAF Cc1ccc(OCc2ccccc2-c2nnc(-c3cc(C)cc(C)c3)o2)cc1 64446733 GEDNHPBRTSUDER-UHFFFAOYSA-N 370.452 5.908 0 1 FKAF COc1cccc(NCC[C@@]2(c3ccc(C)cc3)CCOC(C)(C)C2)c1 72108882 DDQCUDFFESCURM-HSZRJFAPSA-N 353.506 5.333 0 1 FKAF Cc1nc(-c2cnc(N3CCCCC3)nc2-c2ccccc2F)sc1C 82175686 YHVCVXBQGLRCME-UHFFFAOYSA-N 368.481 5.013 0 1 FKAF Cc1ccc([C@]23Sc4cc(C)ccc4N=C2c2ccccc2C3=O)cc1 84704622 FLFVUJLXVHSBJL-QHCPKHFHSA-N 355.462 5.622 0 1 FKAF Cc1nc(-c2ccccc2)ncc1/C=C1\C=C(CC(=O)O)c2cc(F)ccc21 84724484 RAZILBRKIUDMIX-MHWRWJLKSA-N 372.399 5.003 0 1 FKAF CCc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1 144528885 LGHKUUKBIYGDFU-UHFFFAOYSA-N 354.409 5.224 0 1 FKAF Cc1c(F)ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c12 586997471 XKQFTRCBJPEOFR-UHFFFAOYSA-N 363.230 5.087 0 1 FKAF O=C(CCCc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(Cl)cn1 587082613 TYMQUYYQODITLZ-UHFFFAOYSA-N 368.651 5.124 0 1 FKAF CC(C)(C)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587091024 FIBZWGLDZLBBJN-UHFFFAOYSA-N 365.424 5.577 0 1 FKAF Cc1ccc(O)c(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)c1 587101329 MDJXDBQFSGIYMK-UHFFFAOYSA-N 365.432 5.744 0 1 FKAF Cc1c(-c2ccc(F)cc2O)nc2cccc3c2c1-c1ccccc1C3=O 587103663 MSLNTRQWAQNRBS-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF Nc1cc(Cl)ccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104111 NZRWQLDASREGAP-UHFFFAOYSA-N 356.812 5.349 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2)c1 587232846 DCHYFOYHGXCBHT-UHFFFAOYSA-N 371.440 5.100 0 1 FKAF C[C@@]1(C2CCCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353614 LLLNHXMJYVHNJD-GMAHTHKFSA-N 368.448 5.619 0 1 FKAF CCCC[C@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587366984 PEVCPKNIQZFDHS-INIZCTEOSA-N 371.480 6.877 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(SC4CCCC4)cc1)[C@@H](C2)C3=O 587453430 SJXMWNUMICQOFH-AVRDEDQJSA-N 366.482 5.219 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1coc(-c3ccc(C)cc3)n1)CC2=O 587488777 JPYDHOQAYOMUQA-FQEVSTJZSA-N 363.413 5.015 0 1 FKAF Cc1c(Br)cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501166 WHQODMFZIMTGKO-IBGZPJMESA-N 371.274 5.343 0 1 FKAF Cc1cccc(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 587522824 HKASXSNMFCKDEX-RUZDIDTESA-N 368.476 6.247 0 1 FKAF CC(C)Sc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534342 YWQDDNBZESJHHV-QHCPKHFHSA-N 366.526 5.947 0 1 FKAF C[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2S1 587538303 OYLHUVVXFIKSAO-FPTDNZKUSA-N 350.483 5.310 0 1 FKAF C(=C/c1ccccc1)\COCc1nc2cccc(OCc3ccccc3)c2[nH]1 587780542 CGEXVJSPQLIRMR-MDWZMJQESA-N 370.452 5.372 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587824494 XBHVTBWTJPSLLJ-XXZHDZSNSA-N 368.334 5.410 0 1 FKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@H](SC)c1cccc(C)c1 653728140 YQBPZQZGBCFDTR-LJQANCHMSA-N 373.905 5.759 0 1 FKAF Cc1ccc(C[C@]2(C(F)(F)F)c3c(F)cccc3C[C@H]3CCCN32)cc1 963102985 TYUARDWNKRVSBI-YLJYHZDGSA-N 363.398 5.155 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(C)(C)C)c1cccc(OC)c1 963235040 FKACSGZNTCKJKS-UQBPGWFLSA-N 365.561 6.032 0 1 FKAF C[C@H]([C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(N(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356723523 MCFFBNGJPPEVCQ-PQDVXCFZSA-N 372.641 5.651 0 1 FKAF O=C(O)c1cc2c(Nc3ccc(C(F)(F)F)c(Cl)c3)ccc(F)c2[nH]1 2382232873 BYDWCTPRVCVGEP-UHFFFAOYSA-N 372.705 5.421 0 1 FKAF CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccc(-c4ccccc4)cc3N2O1 13437226 RUWZQSJWDUNAEU-RCZVLFRGSA-N 370.496 5.071 0 1 FKAF O=C(O)[C@@H]1CCCN(CCCCCC(c2ccccc2)c2ccccc2)C1 13801398 LGDYFOYHSZGDEU-JOCHJYFZSA-N 365.517 5.176 0 1 FKAF CCCCN(Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 26387489 IFGCEVZHQPZOMQ-UHFFFAOYSA-N 350.384 5.540 0 1 FKAF c1ccc2c(c1)Oc1ccccc1C2(Cc1ccncc1)Cc1ccncc1 27980852 CWQOPCOUVYERJC-UHFFFAOYSA-N 364.448 5.354 0 1 FKAF CCc1nc2c(-c3ccc(Cl)cc3Cl)ncnc2n1[C@@H](C)C1CC1 28757689 GZCYZHKSDVXFKV-JTQLQIEISA-N 361.276 5.334 0 1 FKAF CCCc1cc(OC(=O)[C@H](CC)c2ccccc2)n(-c2cccc(F)c2)n1 35690047 NIIVPNPTGFEDGU-HXUWFJFHSA-N 366.436 5.063 0 1 FKAF Cc1cc(OCC(=O)O)ccc1-c1ccc(-c2cccc(C(C)C)c2)c(C)c1 62241639 ZTNQBWVOJJNYSD-UHFFFAOYSA-N 374.480 6.224 0 1 FKAF CCOc1ccc(-c2nc(CN(CC)c3cccc4ccccc34)co2)cc1 72184829 YLNVYWMOZYVHGR-UHFFFAOYSA-N 372.468 5.920 0 1 FKAF COc1ccc2c(/C=C/c3ccc(O)cc3)c(-c3ccccc3)c(=O)oc2c1 95586145 NQSUIDIXTBGAJM-UKTHLTGXSA-N 370.404 5.345 0 1 FKAF Cc1ccc(Nc2ccc3c(C(=O)O)cc(-c4ccccc4)nc3c2)cc1 103292394 KSNDYJVIBQYADE-UHFFFAOYSA-N 354.409 5.652 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)C[C@]34C)[C@@H]1CC=C2c1cncc(Cl)c1 169268486 SCYWSHPGQNUSDS-PFPCVJQDSA-N 371.952 5.742 0 1 FKAF CN(C)CCOc1ccc([C@H](c2cccc(F)c2)c2cccs2)cc1 299858815 HAMAMYKYBNIHCF-OAQYLSRUSA-N 355.478 5.008 0 1 FKAF Cc1cccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)c1 473107348 IOTWLKPBBWSQBM-UHFFFAOYSA-N 373.235 5.611 0 1 FKAF OCCCCCCCCCCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 586894470 HFOUKPMNOYBQNQ-UHFFFAOYSA-N 360.395 5.165 0 1 FKAF Cc1cc2nc(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)[nH]c2c(C)n1 587031305 QKPHNUHRSYMCGG-GFCCVEGCSA-N 362.502 5.534 0 1 FKAF CC(=O)CC/C=C/Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099636 QGEBUOXQACNFIR-GQCTYLIASA-N 369.464 5.531 0 1 FKAF Cc1nn(C(C)C)c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104010 DJBGSJDUTGLVIE-UHFFFAOYSA-N 367.452 5.507 0 1 FKAF COc1cccc(-c2cc([C@H]3C[C@H]4C=C[C@H]3C4)nc3c2oc2ccccc23)c1 587364452 AGGZBSMALDVHNG-KNBMTAEXSA-N 367.448 6.336 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(C)C)(c1ccc(Cl)cc1)O2 587379032 RGBOZSWNHOYXJU-NRFANRHFSA-N 357.881 5.528 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1sc4ccccc4c1Cl)[C@@H](C2)C3=O 587452430 MXEGXFOHPAHZPC-SGTLLEGYSA-N 356.830 5.052 0 1 FKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1C(F)(F)F 587508228 OEQRSIKRTLTXKV-LJQANCHMSA-N 360.375 5.599 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccc(Cl)cc3Cl)c(CC(C)C)[nH]c12 587623537 IVUDOMCTOKBKQL-UHFFFAOYSA-N 366.719 7.302 0 1 FKAF Cc1c(Cl)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587697397 VZIMREHUIYUILX-XLFHBGCDSA-N 368.677 5.174 0 1 FKAF CC(C)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587817395 BSOAHVJUGPQBTM-BUXKBTBVSA-N 362.286 5.335 0 1 FKAF Fc1cnc(Cl)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc12 587950605 SQNHMCUAKAQVSG-UHFFFAOYSA-N 353.784 5.134 0 1 FKAF Oc1ccc2c(-c3ccc(F)cc3)c(Oc3ccc(F)cc3)sc2c1 653811026 YPDFPOWQQMIZDR-UHFFFAOYSA-N 354.377 6.344 0 1 FKAF Cc1ccc([C@]2(C(C)(C)C)c3c(F)cccc3C[C@@H]3CCCN32)cc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c1ccc2ccc(=O)oc2c1 2356683461 VPQAIISANYIHKZ-UHFFFAOYSA-N 352.474 6.201 0 1 FKAF OC[C@H]1CCCN1Cc1ccc(Oc2cccc(-c3ccccc3)c2)cc1 2382229432 UUJMNVRTJDWKHW-JOCHJYFZSA-N 359.469 5.103 0 1 FKAF c1ccc2c(c1)Sc1ccccc1N2C[C@@H]1CCCN2CCCC[C@H]12 1669268 GZPPTPXSBCSPFO-ZWKOTPCHSA-N 350.531 5.554 0 1 FKAF Clc1ccc(Nc2nnc(NCc3ccncc3)c3ccccc23)cc1 13808839 HXPCKJPCDLSTDD-UHFFFAOYSA-N 361.836 5.034 0 1 FKAF C[C@@H](c1cc(=O)[nH]c(SC2CCCC2)n1)c1cccc2ccccc12 13863472 CEMLODIQTPVPCA-CQSZACIVSA-N 350.487 5.110 0 1 FKAF Clc1ccc(OCCN2CCC(c3ccc(Cl)cc3)CC2)cc1 27553218 CQRGUANLJQKRLL-UHFFFAOYSA-N 350.289 5.252 0 1 FKAF CN[C@@H](COCc1cc(C)cc(C)c1)C(c1ccccc1)c1ccccc1 29551780 BVMNQSAYSSXTLM-DEOSSOPVSA-N 359.513 5.240 0 1 FKAF CC1(C)CCC(C)(C)c2cc([C@]3(C)O[C@H]3c3ccc(C(=O)O)cc3)ccc21 34110891 MJVVETLXZJGUTO-RDPSFJRHSA-N 364.485 5.721 0 1 FKAF Cn1cc(C2CCN([C@H]3Cc4cccc5cccc3c45)CC2)c2cccnc21 36222041 WAXLJMZPFIHYPG-QHCPKHFHSA-N 367.496 5.203 0 1 FKAF CC1(C)C(C(=O)c2cn(CCc3cccs3)c3ccccc23)C1(C)C 38248788 YWZNODBTGLYMLC-UHFFFAOYSA-N 351.515 5.810 0 1 FKAF S=C(Nc1ccccc1)Nc1ccc2ncnc(Nc3ccccc3)c2c1 45289700 LKQAYKRRJOLCFX-UHFFFAOYSA-N 371.469 5.182 0 1 FKAF COc1cccc([C@@H]2CC(c3ccc(O)cc3)=Nc3ccccc3S2)c1 49112737 MWVJGYDTYUJMMS-QFIPXVFZSA-N 361.466 5.759 0 1 FKAF Cc1sc(N)c(C(=O)c2ccccc2)c1-c1cccc(C(F)(F)F)c1 84741736 ROAKXMPLHXUEKN-UHFFFAOYSA-N 361.388 5.556 0 1 FKAF C[C@H](CCNCc1ccc(Cl)cc1)COc1cccc2cccnc12 95595404 ZOCPJHOVYMGNMX-MRXNPFEDSA-N 354.881 5.083 0 1 FKAF CC1(C)CC2=Nc3ccc4ccccc4c3[C@@H](c3ccccn3)C2=C(O)C1 103921798 VGEILRJAOMUAMO-HSZRJFAPSA-N 354.453 6.085 0 1 FKAF COC(=O)/C=C(C)/C=C/C=C(C)/C(F)=C/c1c(C)cc(OC)c(C)c1C 144360267 PFUJQYUOFXXOSH-JCNUCJDGSA-N 358.453 5.553 0 1 FKAF CCc1c([C@@H](C)c2c(F)cccc2Cl)nc(S[C@H](C)CC)[nH]c1=O 169352214 HGXUUMSVWSUIFS-MNOVXSKESA-N 368.905 5.167 0 1 FKAF CCCn1c(-c2cccc(NC(=O)c3cccs3)c2)nc2ccccc21 299870543 WJHNRYVMHBSSNE-UHFFFAOYSA-N 361.470 5.427 0 1 FKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2ccc3ncccc3c2[nH]1 587047736 BHCWORIEHVKDRK-RYUDHWBXSA-N 354.240 5.689 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(O)cc2[nH]1 587071430 KRHQTUURSOCMAP-SIKCBANDSA-N 373.283 5.941 0 1 FKAF COc1c(F)ccc(F)c1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587133266 RBSCEDHUAPUDIG-UHFFFAOYSA-N 368.408 5.668 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1F 587151782 ITOSIXSURQFJOL-WDEREUQCSA-N 370.346 5.724 0 1 FKAF CC(C)[C@H](c1nc2cc3ccccc3cc2[nH]1)N(C)C(=O)OC(C)(C)C 587198303 XQDCIHJZFDBWPG-GOSISDBHSA-N 353.466 5.280 0 1 FKAF CCc1ccc(Nc2ncc(-c3cc4c5c(cccc5n3)CC4)s2)cc1 587358209 BKSHOKQVDYVGAN-UHFFFAOYSA-N 357.482 5.763 0 1 FKAF CSC(C)(C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370518 XRWBXUVYKCHMTG-GHTZIAJQSA-N 374.477 5.181 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCCCc3ccccc31)CC2=O 587476784 BICOWTNYBUUOPX-HTAPYJJXSA-N 350.458 5.189 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](Cc3ccccc3)C1)CC2=O 587481489 MNGTXMAEPBUIMH-GAJHUEQPSA-N 350.458 5.092 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1O[C@H](C)CC)CC2=O 587488157 YOCGKQDBODUEQS-SZNDQCEHSA-N 354.446 5.229 0 1 FKAF Cc1ccc([C@@]2(c3ccccn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514750 JTVBLMHCTYGWCM-RUZDIDTESA-N 369.464 5.178 0 1 FKAF O=C1C[C@]2(CCCCCC23CCCCC3)Oc2c1ccc1c2CCCC1 587529902 RWZPGFVYUNTYSU-DEOSSOPVSA-N 352.518 6.184 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]c12 587624693 ROBARXQWKWIZID-UHFFFAOYSA-N 352.264 7.117 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)s3)c(C(=O)C(F)(F)F)c2c1 587643180 ZLLJXUNISIJHNR-JTQLQIEISA-N 365.420 6.463 0 1 FKAF CC(C)C[C@H](C)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812780 KIGUKKPJJVSVCK-JCGVRSQUSA-N 356.323 5.410 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 587937988 RVDWDPNBBZWQCR-HSZRJFAPSA-N 370.496 6.049 0 1 FKAF CC(C)Oc1ccc([C@@H](C)c2ccc3c(c2)Nc2ccccc2S3)cc1 2382230419 DLPAWDLQKLNSHQ-MRXNPFEDSA-N 361.510 6.834 0 1 FKAF CCCCCc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1 13517685 CKUPOJLRPYCGTP-UHFFFAOYSA-N 351.534 5.984 0 1 FKAF O=C1[C@@H](c2ccc(Cl)cc2)N(c2ccccc2)C(=O)N1c1ccccc1 13680127 RPBVVKHIJDHJOE-LJQANCHMSA-N 362.816 5.055 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CC 13761107 FSBHLSINBYYIIF-PZSIIWHGSA-N 359.598 7.047 0 1 FKAF Cc1cc(Cl)ccc1OCc1nnc(-c2ccccc2C(F)(F)F)o1 25584559 XGMAIRCMEBWJBQ-UHFFFAOYSA-N 368.742 5.296 0 1 FKAF CC1=C(c2ccc(O)cc2)[C@@H](CCCCCCN(C)C)c2ccc(O)cc21 26579928 HIRUDKIEYVWEEE-QFIPXVFZSA-N 365.517 5.638 0 1 FKAF C[C@@H]1C[C@@H](Nc2cc(-c3cccc(-c4ccccc4)c3)ncn2)CC(C)(C)C1 82162437 OXQCODDWSQGABT-XMSQKQJNSA-N 371.528 6.437 0 1 FKAF CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C/CCCCCC(=O)OC 84559369 HRMXTCJALNSXBX-DZBSBGGBSA-N 362.554 6.056 0 1 FKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(-c4ccccc4)c(F)c3)c12 96168077 KPGDGVJKMPNXMT-UHFFFAOYSA-N 358.420 5.052 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccnc2[nH]1 587072280 QGCBNQMBCVUTIG-VBEUMERESA-N 358.272 5.631 0 1 FKAF Cc1cncc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587074095 SDFQABIXVCKBQL-UYRXBGFRSA-N 373.887 6.093 0 1 FKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(F)cc(F)cc3[nH]2)cc1 587159310 XQLCJHONUWUBAX-UHFFFAOYSA-N 352.315 5.127 0 1 FKAF C[C@@H]1CCc2ccc(Br)cc2-c2nc3cccc4c3c(c21)CC4 587208328 QBAXSTOWURLYRE-GFCCVEGCSA-N 364.286 5.813 0 1 FKAF COc1ccc(C)cc1NCCCc1nc2ccc(C(C)(C)C)cc2[nH]1 587229383 WRKGKSMHQMDVOT-UHFFFAOYSA-N 351.494 5.222 0 1 FKAF O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)c1coc2ccccc12 587280881 GAQGJJPPYJFURM-UHFFFAOYSA-N 357.192 6.231 0 1 FKAF CC(C)[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587356729 RJYNWBOQDGCNIN-RCZSKKKRSA-N 354.421 5.085 0 1 FKAF COc1cccc(-c2c(CC(=O)O)c(C3CC3)nc3c2oc2ccccc23)c1 587365578 HLPRJEKWDXUQJY-UHFFFAOYSA-N 373.408 5.161 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3ccc(Cl)cc3n1)CC2=O 587463282 VETCTCPOXZNSSA-FQEVSTJZSA-N 367.832 5.253 0 1 FKAF Cc1nc(C(C)(C)C)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587530218 DGKRVSNLRXAEDA-JOCHJYFZSA-N 369.530 5.508 0 1 FKAF CC[C@]1(c2cc(C)ccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603966 SNQXZGHFCIXQBE-ZJSXRUAMSA-N 374.436 5.276 0 1 FKAF COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2ccc(F)cc2)cc1 587624337 GXEUAGZGIUAUNZ-UHFFFAOYSA-N 365.835 6.611 0 1 FKAF CC(C)=CCC/C(C)=C/[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587818270 HHZCXDABKLDEJA-UMEFMIPBSA-N 366.318 5.856 0 1 FKAF CC1=C(C)C[C@H]([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587818846 FTRURWXOUAWFGO-JCGVRSQUSA-N 352.291 5.300 0 1 FKAF CC(C)C[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587819621 VYTYBGIUARGIKG-CKFHNAJUSA-N 368.334 5.554 0 1 FKAF O=C(CCCCCc1ccccc1)c1nc2cccc(Br)c2o1 653690017 ZOFAPBRJHKFROK-UHFFFAOYSA-N 372.262 5.576 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccnc2-c2ccsc2)N1 962953175 KQDWFSPPMZXYBY-VFNWGFHPSA-N 359.498 5.305 0 1 FKAF FC(F)Oc1ccc(CNc2cccnc2)cc1-c1cccc(Cl)c1 1857534445 RDHXTPCFFHAEBM-UHFFFAOYSA-N 360.791 5.616 0 1 FKAF CC(=O)Nc1cccc(Nc2nc(-c3ccccc3F)nc3ccccc23)c1 2921811 RUQRRUCVPJNESH-UHFFFAOYSA-N 372.403 5.138 0 3 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1Cc1cc3ccccc3nc12 17323253 FBJRIAWDMVBAAE-KHTDVAIGSA-N 373.540 5.572 0 1 FKAF biogenic CCCCNC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 34647464 XSEHPKVACGOMRY-UHFFFAOYSA-N 351.475 5.399 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@@H](C)CC 38146508 FSBHLSINBYYIIF-UMWFZMJJSA-N 359.598 7.047 0 1 FKAF CC[C@@H](C)CNc1cc(-c2[nH]c(SC)nc2-c2ccc(F)cc2)ccn1 40934935 UONTXHJQWUXNHY-CYBMUJFWSA-N 370.497 5.458 0 1 FKAF N#CN1[C@H](c2ccccc2)CC(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1 72171862 VYOXUVLGIYXMKA-XWGVYQGASA-N 352.437 5.009 0 1 FKAF CC1=C(CC(=O)O)c2cc(Cl)ccc2/C1=C\c1ccc(C(C)C)cc1 95592743 WAGDLOSEWPCXHE-GRSHGNNSSA-N 352.861 6.266 0 1 FKAF C/C1=C\CC(C)(C)C[C@H](OC(=O)/C=C/c2ccc(O)cc2)C/C(C)=C/CC1 138413586 SPBVSJHMHZCQRT-GRGVCVLXSA-N 368.517 6.200 0 1 FKAF CC[C@@H]1O[C@@H]1CCCCCCCCCCCCCCCCCC(=O)O 299833326 RPTOORLKFHJFKX-LEWJYISDSA-N 354.575 6.880 0 1 FKAF c1ccc(COc2cccc3[nH]c(-c4ccc(C5CCC5)cc4)nc23)cc1 586881724 VTMXYZHPGJBHBV-UHFFFAOYSA-N 354.453 6.076 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1 586962014 AEVMZUBLPLHNHQ-SNVBAGLBSA-N 365.271 5.459 0 1 FKAF COc1cc(-c2nc3cccc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C 587044486 DQJWLQXAVZFTEV-UHFFFAOYSA-N 365.260 5.580 0 1 FKAF Cc1c(F)ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587063717 ZNCVPHFAIAIUIL-UHFFFAOYSA-N 350.824 5.922 0 1 FKAF Cc1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 587130899 ZJANKEKRGYZMKL-ZETCQYMHSA-N 360.742 5.206 0 1 FKAF Cc1ccc2c(c1)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348662 DTQAZGFFFFRJNT-ISKFKSNPSA-N 374.411 5.040 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](CC(C)C)C3)c1 587365109 FADXIQZRCHIELK-MRXNPFEDSA-N 371.480 6.418 0 1 FKAF CCCOc1ccc(Cl)cc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587458802 ADOLNERMBOWSCI-FQEVSTJZSA-N 374.864 5.493 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(F)ccc(Cl)c1F)CC2=O 587466056 JGVRHQNKABIXCO-IBGZPJMESA-N 366.791 5.157 0 1 FKAF CCCc1ccc(OCC)c([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 587480943 QAHZSEPFOCIGTH-JOCHJYFZSA-N 368.473 5.402 0 1 FKAF O=C1C[C@@H](c2ccc3cnc(Cl)cc3c2)Oc2c1ccc1c2CCCC1 587501005 QONFCSBQKKACAD-FQEVSTJZSA-N 363.844 5.474 0 1 FKAF C[C@H](C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1cn(C)c2ccccc12 587515389 LYHIAUWCGKQWCV-SJLPKXTDSA-N 373.496 5.585 0 1 FKAF CCOc1ccc(OCC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525115 QBSRRFABXLUTMY-QFIPXVFZSA-N 366.457 5.069 0 1 FKAF COc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587531898 IRMMKSBGCSIQLY-QHCPKHFHSA-N 374.436 5.541 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCCCCCCCC2)N1 587816818 DNFAOUHYRQKUDP-CQSZACIVSA-N 368.334 5.842 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1ccc(Cl)s1 587863614 FAJWPGZVIHTKNT-UHFFFAOYSA-N 372.799 5.341 0 1 FKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3cccnc3)n2)cc1 587923011 KMBQIZUDOGKGSH-UHFFFAOYSA-N 371.440 6.160 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 587937989 RVDWDPNBBZWQCR-QHCPKHFHSA-N 370.496 6.049 0 1 FKAF CCOC(=O)CCC[C@@]1(C2CCCCC2)NCCc2c1sc(C)c2C 963029364 ROJKXNNHYZAZSU-NRFANRHFSA-N 363.567 5.020 0 1 FKAF OC12C[C@H]3C[C@@H](C1)CC(NCc1ccc(-c4ccccc4Cl)s1)(C3)C2 1857765155 OALNJTCRUKKTEE-XFKLWTPLSA-N 373.949 5.242 0 1 FKAF COc1ccc2cc([C@H](C)c3nnc(SC4CCCC4)o3)ccc2c1 1857770856 BFNPSMLIEHPAQY-ZDUSSCGKSA-N 354.475 5.418 0 1 FKAF CC(C)=CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356701198 XSHOQEAJWUFKPE-IVDFQBHKSA-N 370.621 6.919 0 1 FKAF Cc1ccc(CN(Cc2ccccn2)C(=O)Nc2ccc(C)c(C)c2)cc1 37866911 UCMPHCIVJPSYNB-UHFFFAOYSA-N 359.473 5.241 0 3 FKAF CCCC[C@H]1[C@H]2C[C@H](OC(=O)Nc3ccccc3)[C@@H](C2)[C@H]2CCCCN12 263590696 JCSGPMMCBOKFDZ-RQSWOZRGSA-N 356.510 5.057 0 3 FKAF Clc1ccccc1C1=NN(c2ccccc2)[C@H]2c3ccccc3OC[C@H]12 5823909 QXZYQONISJXTPA-GCJKJVERSA-N 360.844 5.314 0 1 FKAF COc1ccc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)cc1 6319257 LRVSBKTZUQIFFW-UHFFFAOYSA-N 368.436 5.471 0 1 FKAF C[C@]12C=C(/C=C/CCc3ccco3)[C@](C)(C1)[C@H](CCc1ccco1)CC2=O 7992418 HSYVZZKTEPXIFY-SAAKPMRLSA-N 364.485 5.926 0 1 FKAF CC1(C)C2=CC[C@H]3[C@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)Cc2cnoc21 28008073 AXLOCHLTNQDFFS-MYFYHMKUSA-N 355.522 5.038 0 1 FKAF ClC(Cl)(Cl)c1nc(-c2ccc3ccccc3c2)c2ccccc2n1 29129981 BXKMKUMZNBYLMF-UHFFFAOYSA-N 373.670 6.277 0 1 FKAF O=C1C[C@H](c2ccccc2)c2c(ccc3cc(-c4cccnc4)ccc23)O1 29135485 RNOMZCUPDKQARF-OAQYLSRUSA-N 351.405 5.343 0 1 FKAF Cc1c(Oc2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O 29467043 CWSAYSZTXQPTJG-UHFFFAOYSA-N 373.383 5.840 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccncc2)C[C@H](c2ccccc2)C1 103915670 MEUMSALDYVXAIJ-UUOWRZLLSA-N 367.452 5.711 0 1 FKAF c1ccc(Nc2ccc(Oc3ncccc3Nc3ccncc3)cc2)nc1 139040016 FQSAIQBSJWBKQV-UHFFFAOYSA-N 355.401 5.151 0 1 FKAF Fc1ccc(-c2n[nH]c(CCCc3ccccc3)c2-c2ccncc2)cc1 140662872 URLCGFFCZPXFKD-UHFFFAOYSA-N 357.432 5.453 0 1 FKAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCCCC3)ncc2c1 169699920 JJZGHADCDSFFSQ-UHFFFAOYSA-N 362.448 5.868 0 1 FKAF CC1(C)CC(=O)[C@H]2C(=NC(c3ccccc3)=C[C@H]2c2ccc(Cl)cc2)C1 169723761 FCDCXWUZDFYLGR-PGRDOPGGSA-N 363.888 5.925 0 1 FKAF O=C1O[C@H](c2ccc(Cl)cc2)CC(O)=C1Sc1ccccc1Cl 299841036 XMTKAMXQFCNHCT-AWEZNQCLSA-N 367.253 5.543 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 586896832 QYVKMXLJXVDQPI-UHFFFAOYSA-N 355.319 5.016 0 1 FKAF CCCC(Br)(CCC)c1nc2cc(C(F)(F)F)cnc2[nH]1 586970823 JSEMBDSMMVOGIN-UHFFFAOYSA-N 364.209 5.167 0 1 FKAF Cc1cccc(Cc2c(C)nc3ccc(O)c4c3c2-c2ccccc2C4=O)c1 586991915 RKJQVVBREUHHOU-UHFFFAOYSA-N 365.432 5.359 0 1 FKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cccc(F)c4[nH]3)c2)c1 587141647 YNIWWQSMLJZNAZ-UHFFFAOYSA-N 370.399 5.940 0 1 FKAF COc1ccc(C)cc1NCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 587229537 YKSLUYPMZALLPO-UHFFFAOYSA-N 364.276 5.231 0 1 FKAF COc1cccc(-c2cc(CC(=O)C3CC3)nc3c2oc2ccccc23)c1 587364881 FMIVHJNABQHTPM-UHFFFAOYSA-N 357.409 5.178 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cccc(Cl)c1C)O2 587377361 WTLWMCWHLDUDDM-FQEVSTJZSA-N 366.848 5.036 0 1 FKAF O=C1C[C@@]2(CCCc3c(Cl)cccc32)Oc2c1ccc1c2CCCC1 587497751 GKESYLUMPNZEGK-JOCHJYFZSA-N 352.861 5.416 0 1 FKAF Cn1c(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587500434 OUSARMQWQWIWLB-LJQANCHMSA-N 365.860 5.417 0 1 FKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1Cl 587502115 COPJVAHXKKQHHR-SFHVURJKSA-N 360.812 5.073 0 1 FKAF Cc1cc(C)c2[nH]c(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587525444 NEWGCMZREDWJKR-OAQYLSRUSA-N 359.469 5.678 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 587564383 KLGXZEXUIZRTBE-UHFFFAOYSA-N 364.823 5.761 0 1 FKAF COc1ccccc1-c1[nH]c2ccc(F)c(Cl)c2c1C(=O)C(F)(F)F 587628040 GOPPVUVOIPFKJZ-UHFFFAOYSA-N 371.717 5.381 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](C)c2ccccc2)N1 587812625 JVYCRPRQJXWGNA-VPZZIHKRSA-N 362.286 5.141 0 1 FKAF COc1cc(C)ccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587926420 YZRWBYSABIZWIT-UHFFFAOYSA-N 374.284 5.585 0 1 FKAF COc1ccc(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 587938422 VXVFESHMLCWEOI-UHFFFAOYSA-N 371.436 5.438 0 1 FKAF Clc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2nc1Cl 587949285 QEIUIAMJQFOSAV-UHFFFAOYSA-N 370.239 5.648 0 1 FKAF Fc1cnc(Cl)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc12 587955405 ISYNQCXDFSGXAM-OAHLLOKOSA-N 351.812 5.125 0 1 FKAF COc1ccc(-c2cnc3c(/C=C/c4ccccc4)snc3c2)cc1OC 1857551959 BWXNNHXSLVRMDW-DHZHZOJOSA-N 374.465 5.546 0 1 FKAF O=C(O)C=C[C@H](CCCCCCCCCCCCCO)Nc1ccc[n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c4cc(O)ccc4[C@@H]3CC[C@@]12C 11616274 RSEPBGGWRJCQGY-OZOVBHBASA-N 356.506 5.350 0 1 FKAF O=c1oc(-c2ccccc2)cc(O)c1[C@H](CC1CC1)SC1CCCC1 13740594 SPGRAVLILGQQMP-IBGZPJMESA-N 356.487 5.529 0 1 FKAF O=C(NCC1(c2ccccc2)CCCC1)Nc1c(Cl)cccc1Cl 13833490 BHBUPWTXARSOHV-UHFFFAOYSA-N 363.288 5.627 0 1 FKAF CCCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@H]23)[C@@]2(C)C=CC(=O)C=C12 14946853 WLAOFEXUHCVHAH-ZGMQSDFLSA-N 354.534 5.670 0 1 FKAF CCCCC[C@@H](OC)c1cccc(OCc2cccc(C(=O)OC)c2)c1 25990056 SIYNIKOWVCLNFU-OAQYLSRUSA-N 356.462 5.320 0 1 FKAF CC(C)(C)CC(C)(C)NP(=O)(Oc1ccccc1)Oc1ccccc1 27730090 FJEGSKDJKRMOPU-UHFFFAOYSA-N 361.422 6.057 0 1 FKAF CC(C)(CC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1)c1ccccc1 28336065 ABAFZIKNWHPYOU-PSWAGMNNSA-N 354.497 5.839 0 1 FKAF CC1(C)CCC[C@]2(C)c3cc(O)c(OCc4ccccc4F)cc3CC[C@@H]12 28568744 VVSJJTBXMKXJDT-LADGPHEKSA-N 368.492 6.141 0 1 FKAF O=C(Nc1ccc(-c2ncc(-c3ccccc3)o2)cc1)c1ccccc1Cl 72142715 IMMNYJPTNIWRMO-UHFFFAOYSA-N 374.827 5.914 0 1 FKAF CC1(C)[C@H]2CC[C@H](CNc3cc(Oc4cccc(Cl)c4)ncn3)[C@@H]1C2 82067400 GDUAEVNDYXEOBP-KEYYUXOJSA-N 357.885 5.407 0 1 FKAF CC1(C)Cc2ccc(-c3cncc(Cl)c3)cc2[C@]2(CCSC(N)=N2)C1 95604783 NNOWXMJGJLIDEA-FQEVSTJZSA-N 371.937 5.021 0 1 FKAF C[C@H](Cc1ccccc1)N[C@@H]1C[C@H]2c3ccccc3CCc3cccc1c32 169359718 DNSDIYWJKBRJKP-AYCKEJKLSA-N 353.509 5.583 0 1 FKAF CC(C)=CCC/C(C)=C\COc1cc(O)c(C(=O)c2ccccc2)c(O)c1 207375980 CPWFSCYLMXLCDK-ATVHPVEESA-N 366.457 5.400 0 1 FKAF Cc1cccc(C)c1Oc1nc(Nc2ccc(Cl)cc2)cn2ccnc12 219785991 ICYPXJALIDDQTP-UHFFFAOYSA-N 364.836 5.535 0 1 FKAF C[C@@H](O)CCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O 219959805 SDVJFWYHVDNXTI-WOJBJXKFSA-N 358.563 5.444 0 1 FKAF in-vitro CC(C)(C)c1cccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587047673 ADNRJVYOSPJYLG-RYUDHWBXSA-N 359.300 6.438 0 1 FKAF Clc1ccccc1-c1cc(-c2nc3cccnc3[nH]2)c2ccccc2n1 587060265 IRQBEBAMQLTJTI-UHFFFAOYSA-N 356.816 5.494 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cnccc2[nH]1 587070280 GWPZOVPVQRCLJG-WMBPGHKDSA-N 358.272 5.631 0 1 FKAF Cc1c(Br)cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1C 587087237 JQLFQJHRODSRES-UHFFFAOYSA-N 374.669 5.744 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1cccc(O)c1CC4)-c1ccccc1C2=O 587101988 SBOVSWWYIDNMIZ-UHFFFAOYSA-N 363.416 5.226 0 1 FKAF Cc1cnc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 587159972 ZUUWWWFFLNHCFC-SFHVURJKSA-N 367.811 5.227 0 1 FKAF Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1C 587162226 FQUFHSBAZIGHFU-UHFFFAOYSA-N 359.404 5.238 0 1 FKAF COc1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587164437 QPNDVIDGPHUHAK-LFIBNONCSA-N 350.418 5.361 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)cc1 587242439 LPWYOJZJJLOFGR-UHFFFAOYSA-N 371.227 5.381 0 1 FKAF C=Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587349815 CXEFRDBUQFOWSD-ISKFKSNPSA-N 374.411 5.449 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 587352158 IMYCRRAIVNSCEM-BKULYWANSA-N 374.411 5.207 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(/C=C\c4ccccc4)cc1)[C@@H](C2)C3=O 587445747 OAZKYLMEBDCJCR-GUHNSWKSSA-N 368.432 5.354 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccccn3)c1)CC2=O 587488763 JKQMINYOJJPLAO-QFIPXVFZSA-N 359.425 5.113 0 1 FKAF C[C@@]1(c2ccc(-c3cccs3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587530263 DMSSKXPCJUWQQE-DEOSSOPVSA-N 374.505 6.175 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(C(F)F)c1 587554084 GWKMDTUHXYARDM-XLIONFOSSA-N 368.335 5.033 0 1 FKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1CCC[C@@H](C)C1 587627551 BWSKBAHUNCCBMQ-SECBINFHSA-N 364.333 5.750 0 1 FKAF COC(=O)c1cc(-c2[nH]c3cc(F)ccc3c2-c2ccc(Cl)cc2)c[nH]1 587634207 UNWRFPZDVKPDPI-UHFFFAOYSA-N 368.795 5.409 0 1 FKAF C(=C\c1cccc2ccccc12)\c1nc2ccc(Oc3ccccc3)cc2[nH]1 587966297 BDTGOOTXAKMDCA-SSZFMOIBSA-N 362.432 6.679 0 1 FKAF CCCC(CCC)(C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1 1911579405 XUKFHNLBSLVOLZ-UHFFFAOYSA-N 367.533 5.348 0 1 FKAF CCC[C@@H](Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OCC 1546834 PTLDTEKRPFLEPH-QGZVFWFLSA-N 366.567 5.811 0 1 FKAF Cc1ccc2c(c1)-c1c3c(nn1-c1ccccc1)-c1ccccc1S[C@@H]3O2 5823950 VHEGRDCPNUTRQE-QHCPKHFHSA-N 368.461 6.011 0 1 FKAF C=CCSCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947071 CXNFNILHSODEJG-JFSTXAPLSA-N 370.558 5.297 0 1 FKAF CCC(=O)C(CCCCCCOc1ccccc1C(F)(F)F)C(=O)CC 32138804 IEHYVEZWWRGFMZ-UHFFFAOYSA-N 372.427 5.609 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(C)C(C)C 40466294 YMKZFVLXTSLKQD-SNPVRQPZSA-N 359.598 6.999 0 1 FKAF Cc1ccc([C@H](CCn2ccnc2)Oc2c(Cl)cccc2Cl)cc1 40874300 PXFNHVSJTAUZLR-SFHVURJKSA-N 361.272 5.709 0 1 FKAF CCCO[C@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cnc(C)c1 45367046 NPXXXZGTBMEGTC-QZTJIDSGSA-N 366.958 6.043 0 1 FKAF Cc1cccc(-c2cc(-c3ccc(Cl)o3)cc(-c3ccsc3)n2)c1 45373569 JQYKPIFZNBHHNZ-UHFFFAOYSA-N 351.858 6.699 0 1 FKAF Cc1cc(C)cc(-c2nnc(-c3ccccc3COc3ccccc3C)o2)c1 64453906 PYORCFTYDOFXEL-UHFFFAOYSA-N 370.452 5.908 0 1 FKAF Cc1cccc(-n2nc(C)c3c2N=C2CCCC(O)=C2[C@@H]3c2ccccn2)c1 101756449 UVINIJXELDZEAI-JOCHJYFZSA-N 370.456 5.098 0 1 FKAF CC(C)(C)N[C@H](c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 103265744 DYNMXXYTOFUDLF-NRFANRHFSA-N 350.893 5.880 0 1 FKAF CCCCCCC(C)(C)c1cc(N)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 169323105 QFBWNULHSRGZRB-KRWDZBQOSA-N 369.593 7.261 0 1 FKAF Clc1ccc([C@H](CC2CNC2)Oc2ccccc2Cl)cc1Cl 299836095 GFGPKOBHHRPKSF-KRWDZBQOSA-N 356.680 5.376 0 1 FKAF CCCNc1cc(NC(=O)c2ccc(F)c(F)c2)cc(C(F)(F)F)c1 299836112 GKTBXBKXQXNSTC-UHFFFAOYSA-N 358.310 5.058 0 1 FKAF c1ccc(COc2cccc3nc(CSCc4ccsc4)[nH]c23)cc1 587025348 IOKKKKYQPXMLAC-UHFFFAOYSA-N 366.511 5.637 0 1 FKAF FC(F)(F)Sc1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 587043142 PFTXFQNYMDWATN-AWEZNQCLSA-N 352.406 5.564 0 1 FKAF C[C@@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccccc1C(F)(F)F 587099029 VZHRKRHYCSOGOI-MRVPVSSYSA-N 370.277 5.055 0 1 FKAF COc1ccc(-c2noc(C)c2C(=O)c2coc3ccc(Cl)cc23)cc1 587276786 WBNAWYUUEUALPY-UHFFFAOYSA-N 367.788 5.289 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccccc1C(C)C)[C@@H](C2)C3=O 587430293 GJQNQPMWZIJJPL-MHECFPHRSA-N 373.452 5.098 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587446357 VUPCPNXNTRLGBR-SQJMNOBHSA-N 370.448 5.111 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3nccs3)cc1)CC2=O 587493392 FPVXTPDAZNZLQH-IBGZPJMESA-N 365.454 5.175 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1csc3ccc(Cl)nc13)CC2=O 587493828 GWKILXTYDRVDED-HNNXBMFYSA-N 373.861 5.314 0 1 FKAF C[C@H](c1ccc(Cl)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587498291 FCLVNRCCTSQAMP-PEBXRYMYSA-N 354.877 5.746 0 1 FKAF C[C@]1(CCc2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505412 MXIHZRUOGFGGKR-QFIPXVFZSA-N 356.412 5.200 0 1 FKAF O=C1C[C@@H](c2ccc(Br)s2)Oc2c1ccc1c2CCCC1 587533541 WUTBSKNKRSNKOT-AWEZNQCLSA-N 363.276 5.096 0 1 FKAF O=C1C[C@@]2(CCc3sc4ccccc4c32)Oc2c1ccc1c2CCCC1 587535527 LYRKQPJQJSWIBA-HSZRJFAPSA-N 360.478 5.587 0 1 FKAF CC[C@@]1(c2ccsc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613197 MSVGUHBOIPSXLF-NQIIRXRSSA-N 366.438 5.029 0 1 FKAF COc1ccccc1C(=O)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587627872 DUVIAXJOMDGJFE-UHFFFAOYSA-N 371.717 5.219 0 1 FKAF CCC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(C(=O)O)cccc12 587637119 CIRDMRSCVVTHHP-UHFFFAOYSA-N 361.319 5.145 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccc(Cl)cc2)N1 587701631 VKUGAWKVWYGIFQ-MEBBXXQBSA-N 368.677 5.060 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]3CCCC[C@@H]32)N1 587816938 GBURXCZJTKTGRT-QRDCCXFBSA-N 366.318 5.308 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2)cc1 587934433 ABEQTICQYJZPCB-UHFFFAOYSA-N 368.358 5.924 0 1 FKAF CC(C)(C)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587949475 HTEBFTSLQPKSCB-UHFFFAOYSA-N 356.469 6.244 0 1 FKAF Cc1cc(C)c2[nH]c3cc(Br)c(Br)cc3c2c1 653903401 SQFJEERMJPPFEA-UHFFFAOYSA-N 353.057 5.463 0 1 FKAF biogenic Cc1cccc(CC[C@@]2(c3ccccc3)NCCc3cc(C)c(F)cc32)c1 962142130 FTYCWPWHAZXVML-VWLOTQADSA-N 359.488 5.465 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1coc(-c2cccc(Cl)c2)n1 963111199 NHQDXLOURFJXGY-XLIONFOSSA-N 368.839 5.244 0 1 FKAF COC(=O)CCCCCOc1ccc(-c2cc(=S)ss2)cc1 1857536092 WIFRQHACCBJCSD-UHFFFAOYSA-N 354.518 5.318 0 1 FKAF NC(=S)c1cccc(-c2cn(CCC(F)F)c3cc(CF)ccc23)c1 1857576957 DXVVQKIVOXLTFX-UHFFFAOYSA-N 362.420 5.067 0 1 FKAF C=C(c1ccc(C(=O)NC)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 1911578401 XJHKRJCTUVSHOS-UHFFFAOYSA-N 361.529 5.765 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CC[C@H](O)C(=O)c1ccc(O)cc1O 2356518269 LCOXFGCEXKCJHC-NRFANRHFSA-N 372.505 5.451 0 1 FKAF COC(=O)C[C@@H](C)CCCC=C(C)CCc1coc(Cc2ccco2)c1 2356725537 OFHHQFBCPQSBJL-SFHVURJKSA-N 358.478 5.712 0 1 FKAF CC(C)Cc1ccc([C@H](C)C(=O)NCc2cc(Cl)ccc2Cl)cc1 2382226423 VZULKSPPXWNOOU-AWEZNQCLSA-N 364.316 5.612 0 1 FKAF O=C(Nc1cccc(-c2csc(Nc3ccccc3)n2)c1)c1ccccc1 13682576 LSFKHQIRZUOYRB-UHFFFAOYSA-N 371.465 5.806 0 3 FKAF CCc1c(-c2ccccc2)oc(-c2ccc(O)cc2)c1-c1ccc(O)cc1 13558572 SYRGGOFFBGKWCN-UHFFFAOYSA-N 356.421 6.254 0 1 FKAF C1CC[C@@H]2C[C@@H](N3CCCN([C@@H]4CC[C@@H]5CCCC[C@@H]5C4)CC3)CC[C@@H]2C1 22782479 UGLVJORGECAOIY-JXQUOSBXSA-N 372.641 5.712 0 1 FKAF O=C(O)c1ccc2oc(N[C@H](CC3CCCCC3)c3ccccc3)nc2c1 28010391 QNUHMLNPZSVQDJ-GOSISDBHSA-N 364.445 5.650 0 1 FKAF CNCC[C@@H](Oc1cccc2ccsc12)c1cccc(C(F)(F)F)c1 28390981 USZLLNFCNRAVLC-MRXNPFEDSA-N 365.420 5.650 0 1 FKAF Clc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1Cl 29312833 SGINPEIXESHECF-MSOLQXFVSA-N 352.261 5.215 0 1 FKAF CCCCCc1nc2c(Cl)nc3ccccc3c2n1Cc1ccccc1 49036100 QBQMOPZKCINNAZ-UHFFFAOYSA-N 363.892 6.019 0 1 FKAF Cc1cccc2cc([C@@H]3CC(c4ccc(Cl)s4)=NN3)c(Cl)nc12 103212117 YWIQFTKKPWKYBJ-LBPRGKRZSA-N 362.285 5.350 0 1 FKAF Cc1nc2ccc(O)c3c2c(c1CC1CCCCC1)-c1ccccc1C3=O 586990807 HJDFEOKFUFRVDC-UHFFFAOYSA-N 357.453 5.583 0 1 FKAF CCc1ccc(-c2nc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)cs2)cc1 587015683 HMXWVKRKIPNLFB-UHFFFAOYSA-N 361.514 6.213 0 1 FKAF Cc1cc2nc(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)[nH]c2c(C)n1 587031309 QKPHNUHRSYMCGG-LBPRGKRZSA-N 362.502 5.534 0 1 FKAF Cc1cc(Cl)cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 587133582 UNDWJDNGDAYORL-UHFFFAOYSA-N 357.599 5.202 0 1 FKAF Cc1cc(Cl)cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587226331 PIOCGERKQWKVGE-INIZCTEOSA-N 363.889 5.281 0 1 FKAF O=C(Nc1ccccc1)c1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 587247562 OYLVJCWLEBRFGV-UHFFFAOYSA-N 367.452 5.361 0 1 FKAF O=C(COc1ccc(Cl)cc1Cl)c1coc2ccc(Cl)cc12 587277826 DZQYLQFQBCIEMA-UHFFFAOYSA-N 355.604 5.655 0 1 FKAF CC(C)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353935 PORRYKLNMIQKGC-HEBXWJCKSA-N 368.448 5.475 0 1 FKAF CC[C@@H]1CN=C(Nc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)S1 587361179 SATVMBBECKJBCA-GOSISDBHSA-N 359.498 5.294 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C)cc4)s1)[C@@H](C2)C3=O 587452030 QDEOKBPUIGKWDR-KSFYIVLOSA-N 362.450 5.221 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC(C)C)c1)CC2=O 587480556 LBSOIRBACYCASJ-OAQYLSRUSA-N 354.446 5.086 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(OC)ccc3ccccc13)CC2=O 587481983 QWBFLCBMEDFBTI-NRFANRHFSA-N 362.425 5.213 0 1 FKAF O=C1C[C@@H](c2cccc(Br)c2)Oc2c1ccc1c2CCCC1 587501334 IJCRXKKYTIQYTF-SFHVURJKSA-N 357.247 5.034 0 1 FKAF CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2cc(F)ccc12 587632266 ILWUXASNJPIVPW-UHFFFAOYSA-N 373.642 5.417 0 1 FKAF O=C(c1c(-c2cccc(OC(F)F)c2)[nH]c2cccc(F)c12)C(F)(F)F 587633820 NFJKGUNAWYXDHM-UHFFFAOYSA-N 373.252 5.320 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2cccs2)cs1 587872519 MDDWWWLVZHTSAP-UHFFFAOYSA-N 371.462 5.262 0 1 FKAF CCc1cccc(C)c1NC(=S)n1nc2cc1Oc1ccc(F)cc1-2 587876852 USYDQBNRMDAFNQ-UHFFFAOYSA-N 353.422 4.911 0 1 FKAF Cc1c(F)ccc2c1[C@](CCCC1CCCCC1)(c1ncco1)NCC2 962369834 BIJVCYADEVAQOD-JOCHJYFZSA-N 356.485 5.262 0 1 FKAF COc1cc2c(c(C)c1O)C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)O2 1857636617 AGUVEQLHXOYHEK-HZUJZGFBSA-N 356.506 6.346 0 1 FKAF CC1=C2C[C@@]34CC[C@H]5CCC[C@H](C=C[C@@H]3[N@@]3CC36CCCC6)[C@@]4(C)[C@@]25CC1 2356352669 YEIBEVVNVXLGGP-BQSGXBENSA-N 363.589 6.256 0 1 FKAF CCCC1CCC2(CC1)CC[C@@H]2OC(=S)Nc1cccc(Cl)c1 205704727 RRJGATUIKHKVMQ-KGYZHSKHSA-N 351.943 6.193 0 3 FKAF COc1cc(C)cc2c1[nH]c1c3c(ccc12)O[C@](C)(CCC=C(C)C)C=C3 14585286 KCBYFAZPOQMQLQ-XMMPIXPASA-N 361.485 6.549 0 1 FKAF biogenic COc1cc2c(C(=O)c3ccccc3)nccc2cc1OCc1ccccc1 27556102 JWMYLBTZAZKGHY-UHFFFAOYSA-N 369.420 5.053 0 1 FKAF C[C@H](COc1cccc2ccccc12)CN1CCC(Cc2ccccc2)CC1 28770682 BHEMQUJCKGPXPY-NRFANRHFSA-N 373.540 5.809 0 1 FKAF COC(=O)C[C@@H]1CCC[C@H](CCCCCCCCCCc2ccccc2)O1 33816131 UYTVHKZGZWOESS-GOTSBHOMSA-N 374.565 6.241 0 1 FKAF biogenic Cc1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1 35996226 BCFAJUIGPMLBBZ-UHFFFAOYSA-N 354.457 5.669 0 1 FKAF CCCCOc1ccc([C@@H](CC)NC(=O)Oc2ccc(OC)cc2)cc1 45336095 SOBJGOKNEOSMPL-HXUWFJFHSA-N 357.450 5.114 0 1 FKAF in-vivo CCCNC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 45339965 HUTCFMWEQALNCR-LAHLYFBGSA-N 373.625 5.562 0 1 FKAF CCCC[C@@]1(c2ccccc2)CC(O)=C(SCc2ccccc2)C(=O)O1 100363895 XBBGCOGMPITCSJ-QFIPXVFZSA-N 368.498 5.722 0 1 FKAF N=c1snc(Nc2cccc3ccccc23)n1-c1cccc2ccccc12 101694179 PAJLRLKFOBLPGY-UHFFFAOYSA-N 368.465 5.463 0 1 FKAF C[C@@H]1CCc2nc3nc(-c4ccccc4)cc(C(F)(F)F)c3c(N)c2C1 103168670 QTICPRZEJAZQKT-LLVKDONJSA-N 357.379 5.023 0 1 FKAF C/C(=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CCC[C@H](C)C(=O)O 140107547 BYBSVSPLZOCDCC-DWAIRVLFSA-N 360.494 5.402 0 1 FKAF N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(CCc2ccccc2)c1N 196196321 UAHOLQODKMUJGJ-UHFFFAOYSA-N 363.464 5.519 0 1 FKAF O=C(O)CCC/C=C\C[C@H]1[C@H](CSCC2CCCCC2)[C@H]2CC[C@H]1O2 261145871 NWFGCXFIIAQPKD-QBDSXYBJSA-N 366.567 5.295 0 1 FKAF CSc1cccc(N=c2[nH]c(-c3cccc(Cl)c3Cl)cs2)c1 473086967 JEMNPQUJGADJIS-UHFFFAOYSA-N 367.326 6.004 0 1 FKAF CCCc1cc(NC(C)=O)c(O)c(-c2ccc(OCC)c(CCC)c2)c1 473087643 LFJUSHODTNRHLQ-UHFFFAOYSA-N 355.478 5.321 0 1 FKAF c1ccc(COc2ccc3nc([C@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586883443 JSYWQLMPKKLNRF-CSXBVJTASA-N 358.485 5.610 0 1 FKAF O=C1c2ccccc2-c2cc(C34CCC(CC3)CC4)nc3ccc(O)c1c23 586990819 HOIKZYYYUHIADS-UHFFFAOYSA-N 355.437 5.374 0 1 FKAF Cc1ccc(F)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1F 586996912 VPUFYWKLKSHYLO-UHFFFAOYSA-N 371.386 6.008 0 1 FKAF CC(C)Oc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006998 WEGNEUUVQSOLAY-UHFFFAOYSA-N 370.250 5.032 0 1 FKAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)s1 587014452 LTJPOBXDLDOABI-MRVPVSSYSA-N 356.278 5.399 0 1 FKAF COc1cc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2cc1C 587073881 NHGDGQXAXZMNNY-UHFFFAOYSA-N 362.860 6.176 0 1 FKAF CCOC(=O)[C@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)C(C)C 587096478 KGAHIURGUUEWOX-FQEVSTJZSA-N 373.452 5.057 0 1 FKAF Fc1cc(Br)ccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 587142923 RCMSOHHARBNSAL-UHFFFAOYSA-N 359.120 5.150 0 1 FKAF Cc1ccc(/C=C\c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1F 587146813 XKWJFBNLGXUTQQ-PLNGDYQASA-N 367.168 5.222 0 1 FKAF CSc1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587149284 KJUNFNLRAIBYNC-FQEVSTJZSA-N 363.461 5.625 0 1 FKAF Cc1cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2cc1Cl 587163774 SNLSISMRYBVFKG-UHFFFAOYSA-N 364.807 5.562 0 1 FKAF Fc1ccc2c(-c3nc4cc(Br)c(F)c(F)c4[nH]3)coc2c1 587173853 BLVSBADJTPTUHS-UHFFFAOYSA-N 367.124 5.156 0 1 FKAF CC(C)Oc1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587224162 GCQQOJMOEDHNQG-SFHVURJKSA-N 373.497 5.106 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(CC)oc3ccccc13)CC2=O 587476609 CYJGTXXLWAROHL-HXUWFJFHSA-N 350.414 5.360 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1coc(-c3ccc(C)cc3)n1)CC2=O 587488778 JPYDHOQAYOMUQA-HXUWFJFHSA-N 363.413 5.015 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(SCC)cc1)CC2=O 587490507 HCBDBCKUEGZSEJ-NRFANRHFSA-N 356.487 5.337 0 1 FKAF O=C1C[C@H](c2cc(-c3cccc(F)c3)no2)Oc2c1ccc1c2CCCC1 587501915 GSAALHCYJDABIN-HXUWFJFHSA-N 363.388 5.066 0 1 FKAF O=C1C[C@H](c2ccccc2-c2ccccc2)Oc2c1ccc1c2CCCC1 587524833 NNIRVGBWSZDFQU-XMMPIXPASA-N 354.449 5.939 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccccc2c1 587602979 MBCZABYWBCGKMU-QPPBQGQZSA-N 368.388 5.248 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2C1CCCC1 587603611 OCHYSQHQFFBYNX-KPDCDPCYSA-N 364.441 5.083 0 1 FKAF Cc1cc(OCCc2c(C)[nH]c3ccc(F)c(Cl)c23)ccc1Cl 587628027 FMLUEQQWEBSRSB-UHFFFAOYSA-N 352.236 5.852 0 1 FKAF Fc1cccc2[nH]c(CCCc3ccccc3)c(-c3ccc(Cl)cc3)c12 587632903 NDSWUDBEWBHYLT-UHFFFAOYSA-N 363.863 6.803 0 1 FKAF CCOC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cccc(F)c12 587633800 LGEBSNYBGUKOTI-UHFFFAOYSA-N 351.299 5.170 0 1 FKAF CCCCCC[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812642 KCIVMPXVTXPHPY-SCLBCKFNSA-N 356.323 5.698 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C23CCC(CC2)CC3)N1 587816411 XXEOFBAIXWTYMX-JGEKHZCVSA-N 366.318 5.308 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587831349 XBHVTBWTJPSLLJ-CFLYGVGMSA-N 368.334 5.410 0 1 FKAF Cc1ccoc1C(=O)Nc1ccc(N2CCOc3ccccc32)c(Cl)c1 653739236 HSBXNCYRRGDCLA-UHFFFAOYSA-N 368.820 5.024 0 1 FKAF Cc1ccccc1-n1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c1 962671505 SYJAVAQQOQGVIG-SANMLTNESA-N 364.492 5.688 0 1 FKAF Cc1ccc([C@]2(c3ccc(C)cn3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963092879 AUMXVXNURORWJC-RCZVLFRGSA-N 372.487 5.150 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(Cl)c3)cc(-c3cccc(O)c3)n2)cc1 1772627486 SHVAUPRXNUTZNU-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF Cc1cc(-c2cccc3c(Nc4ccc(F)c(Cl)c4)c(N)oc23)ccn1 1857765968 XBXJAQPCGSEDBY-UHFFFAOYSA-N 367.811 5.922 0 1 FKAF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@]12C 2356516475 YWASHUVXUAAFLL-MSEYRBLRSA-N 372.637 6.855 0 1 FKAF Cn1cc(SCC(=O)Nc2cccc(Cl)c2Cl)c2ccccc21 2382221287 NAFORWQFYODXPN-UHFFFAOYSA-N 365.285 5.216 0 1 FKAF COc1cc([C@H](C)c2ccc3c(c2)Nc2ccccc2S3)ccc1F 2382224828 GIEPDUBHFIPECH-CYBMUJFWSA-N 351.446 6.194 0 1 FKAF COc1ccccc1Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12 95567502 IASTWQVSPOGBFT-UHFFFAOYSA-N 362.860 5.563 0 3 FKAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774825 PGEPCUWOVXPFHF-GFCCVEGCSA-N 374.893 5.498 0 1 FKAF Cc1cccc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1 5940255 YHZHYDLGNCDZCG-WUTYJBMBSA-N 372.512 5.656 0 1 FKAF FC(F)(F)c1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1 8536623 URTATIJPBIRPTP-UHFFFAOYSA-N 365.358 5.825 0 1 FKAF CCN(CC)CCS[C@H]1Cc2ccccc2Oc2ccc(Cl)cc21 27556030 FLQUPVMFDKZWRY-FQEVSTJZSA-N 361.938 5.805 0 1 FKAF O=C(Nc1cc(Nc2ccc3c(c2)CCC3)nc2ccccc12)C1CCCC1 40872873 UMBXSOCGZHWYKT-UHFFFAOYSA-N 371.484 5.596 0 1 FKAF CC(C)(C)c1ccc(-c2cc(NCc3cc(F)cc(F)c3)ncn2)cc1 82161060 ZWUVTIAOYFFMSQ-UHFFFAOYSA-N 353.416 5.331 0 1 FKAF Cc1cc(-c2ccccc2)nc2c(C)cc([C@@H](O)CN3CCCCCC3)cc12 169338311 WLLKHSQMPJEGEC-DEOSSOPVSA-N 374.528 5.428 0 1 FKAF CCC/C=C\CSC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169728567 QXBFRDGMYMBQMJ-BVCUDMQCSA-N 352.540 5.071 0 1 FKAF C[Si](C)(C)C(SCc1nnc(-c2ccccc2)o1)[Si](C)(C)C 205071403 CSEZPCPHBDXUCG-UHFFFAOYSA-N 350.636 5.093 0 1 FKAF CCCCCCC(=O)c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1 473110372 VSCCLXDRDHVKHG-UHFFFAOYSA-N 367.272 6.225 0 1 FKAF O=Cc1cc(Br)cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 586982800 QGVJBWNUCUJGJB-UHFFFAOYSA-N 370.033 5.112 0 1 FKAF CNc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1N 586995582 IRRYZCNDQWFDRN-UHFFFAOYSA-N 365.436 5.046 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(Cl)ccnc2[nH]1 587014685 OPAPFIVFZXMPGU-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF Clc1ccc2ccc(-c3nc4c5c(ccc4[nH]3)CCCC5)nc2c1Cl 587083546 ZDLNIDFTBLARER-UHFFFAOYSA-N 368.267 5.964 0 1 FKAF O=C1c2ccccc2-c2cc(-c3c(O)cc(F)cc3F)nc3cccc1c23 587103592 KYZFITQZTOZQAW-UHFFFAOYSA-N 359.331 5.097 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587116180 RPIXFDSWMNSSCO-UHFFFAOYSA-N 370.378 5.489 0 1 FKAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587169035 QYTVHTKJPUOSHU-AWEZNQCLSA-N 364.445 5.993 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2)c1 587234541 GRFULZVMOXBIIY-UHFFFAOYSA-N 368.362 5.352 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C(C)C)CC3)c1 587365665 IHGJUMUBOPYCTL-KRWDZBQOSA-N 357.453 6.342 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(F)cc3)o1)CC2=O 587471951 NCYDZNPLIFBNPE-OAQYLSRUSA-N 366.388 5.450 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC(C)(C)C)(c1ccccc1)CC2=O 587487597 FSHCDHQSDXMVSY-QHCPKHFHSA-N 352.474 5.642 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3sccc3s1)CC2=O 587498042 YHAGZSJLYARICI-IBGZPJMESA-N 358.484 5.502 0 1 FKAF COc1cc(C)c(C)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526511 SWHVKTPTOJIUMP-QHCPKHFHSA-N 350.458 5.071 0 1 FKAF CC(C)(C)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587600380 BGDQIYKRIYZKBK-NZQKXSOJSA-N 374.436 5.393 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cc(Cl)ccc3OC)c2c1 587642345 RGUATFVADLWMAN-LBPRGKRZSA-N 370.880 5.904 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(C)CCCCC2)N1 587815662 OMCIUSLFKNCIEW-XIKOKIGWSA-N 354.307 5.308 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587817749 ATAKSFXTICDOLC-FCIKYMEBSA-N 368.334 5.410 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)s2)N1 587845798 FUGBFYMWAOBLSB-GLEZIHRCSA-N 374.706 5.101 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccccc3O)n2)c1 1772621950 GOJDGEMBJHRJOV-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF Clc1ccc(Cn2c(C[C@@H]3C[C@H]4CC[C@H]3C4)nc3ccccc32)cc1 1857554762 UHIJKWQUNGTSDB-BZSNNMDCSA-N 350.893 5.717 0 1 FKAF CC1(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CCCCC1 1857770312 LZXXTLDJWGTTHX-UHFFFAOYSA-N 358.385 5.104 0 1 FKAF CC(=CCC=C(C)[C@@H](C)CC(=O)c1ccc(O)cc1O)Cc1cc(C)co1 2356512710 BULFJIKGJJCXFJ-SFHVURJKSA-N 368.473 5.734 0 1 FKAF CC(C)Cc1ccc([C@@H](C)c2ccc3c(c2)Nc2ccccc2S3)cc1 2382235424 WIGLIPDEFQNSRW-QGZVFWFLSA-N 359.538 7.245 0 1 FKAF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@@]21C 118913783 KGXLWYQCBAUILI-HSYHYESFSA-N 372.549 5.491 0 3 FKAF in-vitro Brc1cccc(Nc2ncnc3c2sc2ccccc23)c1 3815107 FNWRJIWVXKOMHC-UHFFFAOYSA-N 356.248 5.351 0 1 FKAF C[C@@]12C[P@@](=O)(c3ccccc3)C[C@@H]1c1ccccc1[C@@H]2c1ccccc1 5852956 USAJZDLDKCTBFR-OUJSJNLKSA-N 358.421 5.624 0 1 FKAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1OCC 13742185 RZDOKYVHFNAGTJ-UHFFFAOYSA-N 364.445 5.369 0 1 FKAF c1ccc(CN2CCC[C@H](c3c(-c4ccccc4)[nH]c4ccccc34)C2)cc1 13862730 RXGPCIHYSMKIRI-QFIPXVFZSA-N 366.508 6.215 0 1 FKAF in-vivo FC(F)C(F)(F)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28220143 XVLMMLFVASDPEI-UHFFFAOYSA-N 352.356 5.694 0 1 FKAF C=C(c1cc(Cl)ccc1O[C@H](C)c1cccc(Cl)c1)n1ccnc1 28762896 VUAQLFNKEJARIM-CQSZACIVSA-N 359.256 5.849 0 1 FKAF COc1cccc(Nc2c3ccccc3nc3sc(SC)nc23)c1 29131381 XEQIRMJLNKGINN-UHFFFAOYSA-N 353.472 5.319 0 1 FKAF COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)[C@H]1C=C[C@@]2(O)c1ccccc1 29394644 PRCGTYKZJAVITA-HNRDJRCMSA-N 360.497 5.215 0 1 FKAF COC(=O)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 32223599 MVNZWWOGXOULPM-FDFHNCONSA-N 354.619 7.405 0 1 FKAF biogenic Cc1ccc(NC(=O)c2cccc(C(C)C)c2)cc1C(=O)Nc1cccnc1 40895503 VMJVPXQOAFLBMI-UHFFFAOYSA-N 373.456 5.018 0 1 FKAF CCCCCc1nc(-c2cnc(NCCCC)nc2-c2ccco2)oc1C 82165230 ZEGHHAAXUKZMCZ-UHFFFAOYSA-N 368.481 5.645 0 1 FKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)C(=O)NCC(=O)O 85589943 ILSMDNVBZYGMDG-IPMKNSEASA-N 355.563 5.262 0 1 FKAF endogenous,in-man C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2Cc1ccccn1 118912746 LYEZZXKWQAOTRN-WFGFEZODSA-N 363.545 5.484 0 1 FKAF CC[C@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 238733470 ATKIEOWZLVCTKM-MRBBEOAKSA-N 370.621 6.775 0 1 FKAF COc1c(C)cc(-c2ccc(F)cc2)cc1C(=O)NC1CCCCCC1 299859166 HTDJFIUVOFCYFF-UHFFFAOYSA-N 355.453 5.262 0 1 FKAF Cc1nc(C2CC2)sc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587013027 VXFHXWUEXDDHQB-UHFFFAOYSA-N 361.470 5.451 0 1 FKAF CCc1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 587015846 VAFZHTILBRLHBP-UHFFFAOYSA-N 374.296 6.223 0 1 FKAF Brc1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587022191 OTLPXOGSRSRQCY-UHFFFAOYSA-N 370.275 5.040 0 1 FKAF Cc1nn(-c2cccc(-c3nc4c(C)cnc(Cl)c4[nH]3)c2)c(C)c1Cl 587064616 FIEPXTUEKOGUCY-UHFFFAOYSA-N 372.259 5.043 0 1 FKAF N=c1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c[nH]1 587073174 FUULYCDHUVIIOK-SFQUDFHCSA-N 374.875 5.197 0 1 FKAF Cc1c(Br)ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587081706 YZHLKQSMNQKRSZ-UHFFFAOYSA-N 374.669 5.290 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587114623 VOFKPNGNSHTXHS-SECBINFHSA-N 373.300 5.342 0 1 FKAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587149335 FEFPBCREXLGZMY-QMMMGPOBSA-N 374.334 5.593 0 1 FKAF Fc1ccc(/C=C/c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(F)c1 587151139 QKGYSLLQFMEDBB-YRNVUSSQSA-N 362.379 5.591 0 1 FKAF Cc1c(Cl)ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 587163153 LIGIGQXUHRDNQZ-UHFFFAOYSA-N 364.807 5.562 0 1 FKAF C[C@@H]1CC[C@]2(C[C@H]1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348055 CDCOOQJPKXXQGW-UOSAEHAVSA-N 354.421 5.085 0 1 FKAF O=C1c2ccc(O)cc2OC2(CC(c3ccccc3)C2)[C@H]1c1ccc(F)cc1 587355107 SPBOXPOLRFVHBJ-NZAVSEOKSA-N 374.411 5.207 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C)o3)cc1)CC2=O 587479713 ITRAXJFNWSHOCT-QFIPXVFZSA-N 362.425 5.620 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@H](C)CC)cc1)CC2=O 587484819 NRVDXXLIJHOILY-SZNDQCEHSA-N 354.446 5.229 0 1 FKAF CC[C@]1(c2ccc([C@@H](C)OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526748 ZRQQBJJGLJSUMD-VOIUYBSRSA-N 364.485 5.544 0 1 FKAF O=C1C[C@@](c2ccccc2)(c2cccs2)Oc2c1ccc1c2CCCC1 587532005 OETJGEHWUXYFQJ-HSZRJFAPSA-N 360.478 5.536 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2sccc2c1 587616914 HFOGBOCVFKBDFL-DENIHFKCSA-N 374.417 5.310 0 1 FKAF CCCc1c(-c2ccc(Cl)c(Br)c2)[nH]c2cc(F)ccc12 587632048 BTZGCFBXPNPFTJ-UHFFFAOYSA-N 366.661 6.342 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnc(Cl)c1 587854429 FBLUCFOUUVRFDI-UHFFFAOYSA-N 368.651 5.293 0 1 FKAF CCc1ccc(C(=O)CCc2nc3ccc(Br)c(C)c3[nH]2)cc1 587956111 ULHFGOCZUMJXCP-UHFFFAOYSA-N 371.278 5.012 0 1 FKAF CC[C@@H]1Cc2ccccc2[C@]12c1ccsc1CCN2Cc1cccnc1 962991774 FHQQRJHKYQGJDQ-XXBNENTESA-N 360.526 5.027 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2Cl)c2oc3ccccc3c2n1 1772596777 KZXPHZXBKQWFEY-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF CSc1nc2ccccc2n1-c1csc2nc(-c3ccccc3)cn12 1911572078 QJCVPHDBRFNIPW-UHFFFAOYSA-N 362.483 5.124 0 1 FKAF CCCCCc1cc(OC(C)=O)c2c(c1)O[C@@H]1C[C@H](C)CC=C1C2(C)C 2356454701 UMXVDHZQRJOECL-DNVCBOLYSA-N 356.506 5.740 0 1 FKAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2356586673 KCBHZVKBMOMXJF-KRFDGIDSSA-N 358.566 6.297 0 1 FKAF COP(=O)(C[P@](=O)(OC)OCC[C@H](C)CCC=C(C)C)OC 1862121 WHBJOLUMANAQER-PEBXRYMYSA-N 356.336 5.059 0 1 FKAF CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 5978529 XBWNUARXPPYDQT-AKFKNWHVSA-N 373.496 6.244 0 1 FKAF aggregator FC(F)(F)c1cc(-c2noc(-c3sccc3Cl)n2)ccc1Cl 13671418 REXPEWGPDOIUKI-UHFFFAOYSA-N 365.163 5.791 0 1 FKAF O=C(O)[C@H]1C[C@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 14978925 ABFWFUAKPRLLAW-VXKWHMMOSA-N 359.425 5.279 0 1 FKAF CCCCc1nccn1Cc1ccc2oc(-c3ccccc3C(=O)O)cc2c1 27764070 NQIDAXXZMMCRIR-UHFFFAOYSA-N 374.440 5.385 0 1 FKAF CNCC[C@H](Oc1cccc2ccsc12)c1cccc(C(F)(F)F)c1 28390987 USZLLNFCNRAVLC-INIZCTEOSA-N 365.420 5.650 0 1 FKAF CC(C)=CCC[C@]1(C)C2=CCC[C@](C)(CC(=O)c3ccoc3)[C@H]2CC[C@H]1C 28826884 JEWBNIMXAPGVJO-UCRBNFBUSA-N 368.561 7.378 0 1 FKAF COc1cc2c(cc1OCc1ccccc1)CCN(C)[C@@H]2Cc1ccccc1 29313481 MNYDYTBKWLQSFM-HSZRJFAPSA-N 373.496 5.046 0 1 FKAF CCCn1cc(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21 43018100 NCEVWPRTUYLBGV-UHFFFAOYSA-N 357.453 5.834 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1cccc(-c2ccccc2)c1 73160412 ZFCZBWNLYPTKCS-VOQZNFBZSA-N 351.490 6.363 0 1 FKAF O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12 101185316 CNNRPXDUHKLPGW-NGRWLJPCSA-N 367.876 5.101 0 1 FKAF O=C(Cc1ccccc1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 103235261 LVZNSHQMWFYVMU-UHFFFAOYSA-N 363.269 5.298 0 1 FKAF CCCCC[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@H]1C[C@@H]1CCCC(=O)O 253634880 VOEQWJRVRYMVGK-DLBWEKIMSA-N 360.582 6.536 0 1 FKAF CC(C)(C)C(=O)[C@H](Cc1ccc(CCc2ccccc2)cc1)n1ccnc1 299833640 ZAAYEEKCTMSQBP-QFIPXVFZSA-N 360.501 5.067 0 1 FKAF Cc1nc(Br)sc1-c1nc2cccc(C(C)(C)C)c2[nH]1 587010530 CGLOOYNYFKYLFF-UHFFFAOYSA-N 350.285 5.055 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(C(F)(F)F)cc2[nH]1 587062812 WLZJXBRBCRHITP-CQSZACIVSA-N 354.759 5.765 0 1 FKAF Cc1nn(-c2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)c(C)c1Cl 587065152 KQJNYDUTXULKSG-UHFFFAOYSA-N 372.859 5.839 0 1 FKAF Cc1ccc2c3c(cc(-c4coc(C(C)C)n4)nc13)-c1ccccc1C2=O 587096004 BBHACKDPPVTPMA-UHFFFAOYSA-N 354.409 5.533 0 1 FKAF Cc1nn(C)c(C)c1-c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587096567 CYSXRXNCFLXHIS-UHFFFAOYSA-N 367.452 5.080 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ncc(F)cc3Cl)nc3cccc1c23 587103375 GFMVVDCPYRUXCP-UHFFFAOYSA-N 360.775 5.301 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(C)cc(F)c4[nH]3)ccc2F)cc1 587139554 OTYNNURXZIZYHS-UHFFFAOYSA-N 362.379 5.686 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(C)nccc4[nH]3)c(Cl)c2)cc1F 587145618 OHWBBGIZIXAPMP-UHFFFAOYSA-N 351.812 5.701 0 1 FKAF O=C(O)c1cccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587164751 WATQGENWZVFFNZ-PTNGSMBKSA-N 364.401 5.051 0 1 FKAF Cc1ccc(C(=O)O)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587207305 REZHRMCUOOUVBS-UHFFFAOYSA-N 365.388 5.120 0 1 FKAF CCc1nc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)s1 587207902 JCGQWWCWBGXRQY-UHFFFAOYSA-N 356.450 5.441 0 1 FKAF c1ccc(COc2ccccc2[C@@H]2Cc3c2nc2cccc4c2c3CC4)cc1 587215043 ZKPBVYZZNNCDDK-NRFANRHFSA-N 363.460 5.600 0 1 FKAF O=C(c1ccc(C(F)(F)F)c(F)c1F)c1coc2ccc(Cl)cc12 587278511 PENFTVYFAQWEIQ-UHFFFAOYSA-N 360.665 5.614 0 1 FKAF CCC[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355841 WTLRXHFFRHEMNH-XORNHQRDSA-N 368.448 5.619 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccc(Cl)c(C)c3[nH]1)CC2=O 587462629 PTKCKADEYIXANS-LJQANCHMSA-N 369.848 5.494 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3C)o1)CC2=O 587485411 VJOWDPLRPLAKRC-JOCHJYFZSA-N 362.425 5.620 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(C(C)C)nc1C)CC2=O 587496445 XTRTWMPIGGZRKV-HXUWFJFHSA-N 359.491 5.114 0 1 FKAF C[C@@]1(c2cnc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503804 ZIBNVKQZIJKVPW-IBGZPJMESA-N 362.256 5.148 0 1 FKAF Cc1ccccc1-c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587515241 MIZQJSKYQCNQEL-JOCHJYFZSA-N 370.452 5.037 0 1 FKAF Cc1cccc(-n2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1C 587515920 PIZOPRGDZIFYHT-DEOSSOPVSA-N 371.480 5.679 0 1 FKAF CCOc1ccc([C@@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526278 SMTRHFFMBBRNNA-HSZRJFAPSA-N 350.458 5.235 0 1 FKAF Fc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3cc(Cl)c(F)cc23)cc1 587630015 DEYDBFGLWLVJLX-UHFFFAOYSA-N 374.217 7.087 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3ccc(F)cc3Br)c2c1 587643796 WWEPCGCNZBGJTE-LLVKDONJSA-N 360.270 6.558 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(C)(C)C)(C2CC2)N1 587816308 WGVLHDJRZNDTCX-BBATYDOGSA-N 354.307 5.164 0 1 FKAF CC(C)[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587819029 GIMAROGKEQTZDY-IAISJRAMSA-N 354.307 5.164 0 1 FKAF CCCCC/C=C/CC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821602 WEUAFPXHCVELSO-SCKHQABXSA-N 368.334 6.080 0 1 FKAF CCCC/C=C/C=C/[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821613 WMGAYYZITXCTES-ZPLGTREJSA-N 352.291 5.466 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2c(C)cc(C)cc2s1 587871794 BSQHGLNLVTYKDF-UHFFFAOYSA-N 367.449 5.304 0 1 FKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 587927849 VDRQGNIDZQYARO-LBPRGKRZSA-N 364.367 5.141 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(Br)c(F)c2[nH]1 587952943 YDBFRETWSRQQIM-MJVIPROJSA-N 369.278 5.511 0 1 FKAF Brc1cccc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587958733 IUOPBGIPAQXSPV-UHFFFAOYSA-N 363.258 5.583 0 1 FKAF Cc1ccc2c(ccc3nc(Cc4ccc(-c5ccccc5C)cc4)[nH]c32)n1 587959394 MSOIDKQSXXYUGC-UHFFFAOYSA-N 363.464 5.986 0 1 FKAF CC(=O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356659888 XITWYGYWFIVTIE-BCQAKVGSSA-N 356.550 5.750 0 1 FKAF CC[P@](=O)(OC)c1ccc2nc(-c3ccccc3C(F)F)oc2c1 2382247571 CVTHJHJGRMFKLE-DEOSSOPVSA-N 351.289 5.002 0 1 FKAF C(=C/c1sc(Nc2ccccc2)n[n+]1-c1ccccc1)\c1ccccc1 15974359 PTSQHEQDJSBJCM-WUKNDPDISA-N 356.474 5.334 0 3 FKAF O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc2c1-c1ccccc1C2=O 201456591 AQIFRSYRZZZPBO-UHFFFAOYSA-N 368.219 5.457 0 3 FKAF CC1=C[C@@](C)(c2c[nH]c3ccccc23)CC(C)(C)c2c1[nH]c1ccccc21 1618971 FBJAPBJGACFLTK-RUZDIDTESA-N 354.497 6.692 0 1 FKAF O=C(c1ccccc1)[C@H]1Nc2ccc(Cl)cc2[C@@H]2c3ccccc3C[C@H]12 5810576 XUTQDVBWBVTKPY-BVSLBCMMSA-N 359.856 5.321 0 1 FKAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)[C@H](C)[C@@H]3F 6381609 QOFZWMRYJKRWMH-PZROIBLQSA-N 372.436 5.357 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC[C@@H](O)CCC(=O)O 28331673 MIISBKYGRNQQRI-MWRKSYAASA-N 360.538 6.134 0 1 FKAF O=C(/C=C/C1=C(Cc2ccccc2)c2ccccc2CC1)N1CCCCC1 64516301 MSIUJLHAFSJPPW-FOCLMDBBSA-N 357.497 5.198 0 1 FKAF C/C(=C/C=C/C(C)=C/C(=O)O)C1=CC(C)(C)[C@@]23CC[C@@H](C2)C(C)(C)C3=C1 71297112 RKEVEOWVENZGLD-LHFASWIXSA-N 352.518 6.239 0 1 FKAF O=C1c2ccccc2C2=Nc3ccccc3S[C@]12c1ccc(Cl)cc1 84714370 WNEAHYLTBGEQGA-NRFANRHFSA-N 361.853 5.658 0 1 FKAF CCOc1ccc2ccccc2c1C(=O)c1c(C2CC2)oc2cccc(O)c12 96922073 ZQPCUJHTFHPNNR-UHFFFAOYSA-N 372.420 5.799 0 1 FKAF CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccc3c(c2)N=CC3)c2ccccc21 100620969 JLTSFWCZPYNQBH-KNQAVFIVSA-N 358.485 5.015 0 1 FKAF CCN[C@H]1CC[C@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc32)CC1 101509274 WKNJJZDFDCGVSZ-GASCZTMLSA-N 366.534 5.303 0 1 FKAF Clc1ccc([C@@H](Nc2ccccc2)c2ccc(-c3cn[nH]c3)cc2)cc1 103265789 WGHGUSSNGGFNEI-QFIPXVFZSA-N 359.860 5.932 0 1 FKAF CCNc1nc2cc(OC)c(Cl)cc2nc1-c1csc2ccccc12 115764829 PUBKEEBKWUQSAA-UHFFFAOYSA-N 369.877 5.605 0 1 FKAF CCCC(=O)c1c(OC/C=C(\C)CCC=C(C)C)cc(O)c(Cl)c1O 138481067 LWKCUPJDLQXLRJ-GXDHUFHOSA-N 366.885 5.806 0 1 FKAF CC[C@@H](C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299819515 DAXMFHJYAYLAJM-DIDJVTAESA-N 373.581 5.081 0 1 FKAF CCCc1cc(-c2nc(-c3ccc(Cl)cc3)c(C(=O)O)s2)ccn1 299830392 VAEAIKMOSDPPMM-UHFFFAOYSA-N 358.850 5.176 0 1 FKAF COc1cc(/C=C\c2ccc3c(c2)c2ccccc2n3C)cc(OC)c1OC 473245126 VNUUJTWVEXKSOB-KTKRTIGZSA-N 373.452 5.528 0 1 FKAF Cc1cc(O)ccc1-c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586992451 XCFYCQNSZJJAIJ-UHFFFAOYSA-N 367.404 5.141 0 1 FKAF OCc1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 587071491 NHCCLTUBIPKGCO-UHFFFAOYSA-N 370.239 5.091 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(F)c(F)c2[nH]1 587073758 LPMPRLKAIUHCLT-UHFFFAOYSA-N 354.787 6.137 0 1 FKAF CCOc1cc(/C=C/c2nc3ccc(F)c(C)c3[nH]2)ccc1OC(F)F 587129611 DZSYQLXQUJBFHN-WEVVVXLNSA-N 362.351 5.181 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587164432 QMADLXTZZGUDGK-UHFFFAOYSA-N 374.343 5.419 0 1 FKAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587168378 HHVGKRBUGIOPMQ-CQSZACIVSA-N 360.388 5.073 0 1 FKAF Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1Cl 587498312 MRLPMAALLVYBDV-QGZVFWFLSA-N 361.268 5.887 0 1 FKAF Cc1ccccc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510352 AFMDUNFWUQDAKX-HSZRJFAPSA-N 357.453 5.371 0 1 FKAF O=C1C[C@]2(CCCC[C@H](c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587526196 RRMXNTNRJAPQKU-NBGIEHNGSA-N 360.497 6.017 0 1 FKAF CCCc1ccc([C@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526871 XJYCFVWIQVWLIP-RUZDIDTESA-N 362.513 6.035 0 1 FKAF CCCC[C@@H]1CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587824607 XSVBIEPXSSZWDA-WPKBUWHJSA-N 354.307 5.308 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2C(C)(C)C)N1 587824828 ZAZWEGCZJBKPEK-LLSQANQASA-N 368.334 5.554 0 1 FKAF Cc1cc2ncn(CCc3nc(-c4ccc(F)cc4)cs3)c2cc1C 587922928 JKTBBAGWXSRGRO-UHFFFAOYSA-N 351.450 5.158 0 1 FKAF CC/C(=C\c1nc2ccc(Br)c(F)c2[nH]1)c1ccc(C)cc1 587966637 JZLGCXQSAWSNIS-ZRDIBKRKSA-N 359.242 5.724 0 1 FKAF Fc1cccc2c1[C@@H](c1ccc(Cl)nc1C(F)(F)F)N1CCC[C@@H]1C2 963100722 JBDVORVGNUDAFI-BDJLRTHQSA-N 370.777 5.003 0 1 FKAF Cc1ccc(Oc2ccc([C@H]3c4c(F)cccc4C[C@H]4CCCN34)cc2)cc1 963111086 QZGOKMZOIHJOIR-NLFFAJNJSA-N 373.471 6.036 0 1 FKAF Fc1ccc([C@]2(C3CCC3)NCCc3c(Cl)cc(Cl)cc32)cc1 963118277 FDUFTTJFDAWNJP-IBGZPJMESA-N 350.264 5.322 0 1 FKAF CCCCCC=Cc1cc(-c2ccc3cc(C(=O)O)ccc3c2)ccc1O 1857577688 XVJXQGURAGPSTD-UHFFFAOYSA-N 360.453 6.504 0 1 FKAF CCCCCOn1cc(CC(=O)Nc2ccccc2Cl)c2ccccc21 2382259411 UFJRIXDICFGUHY-UHFFFAOYSA-N 370.880 5.095 0 1 FKAF Fc1ccc(Nc2nnc(Cc3cccnc3)c3ccccc23)cc1Cl 6739293 YCKVOVXEVQLFNN-UHFFFAOYSA-N 364.811 5.152 0 1 FKAF CCC[C@@H](C)CCCCCCCCCCCCCCOC[C@H](O)CO 15261837 UZBZUESMKWXVBH-FGZHOGPDSA-N 358.607 5.864 0 1 FKAF biogenic C[C@]12CC[C@@H]3[C@@H](CCC4=C(C(F)(F)F)C(=O)CC[C@@]43C)[C@@H]1CCC2=O 26834900 OMHOOFKINHBDCB-PVCYBXFQSA-N 354.412 5.020 0 1 FKAF O=C(CCc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1)c1ncco1 29136151 AHCWRISPUHYQOK-UHFFFAOYSA-N 374.484 5.143 0 1 FKAF CCSCCCC[C@@H](c1ccc(O)cc1)[C@@](C)(CC)c1ccc(O)cc1 29330652 JCDRAYIOBFSNHU-GOTSBHOMSA-N 372.574 6.473 0 1 FKAF CCN(CC)CCCCCCNc1cc(OC)cc2c(C)cc(C)nc12 40434499 CZTBJDFPELAIPV-UHFFFAOYSA-N 357.542 5.174 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1ccnc1C 45366170 CGMPVPXRJZJNIB-SJORKVTESA-N 352.931 5.653 0 1 FKAF CC(C)(C)c1ccc(C(=O)Nc2c(C(=O)O)ccc(Cl)c2Cl)cc1 66148013 OYIRONGUEWJZSF-UHFFFAOYSA-N 366.244 5.241 0 1 FKAF O[C@@H](c1ccc(OCc2ccc(OCc3ccccc3)cc2)cc1)C1CC1 66251399 JYGMIDFZSVLHAQ-XMMPIXPASA-N 360.453 5.288 0 1 FKAF CC(C)c1ccc([C@@](O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1 72184659 LJFSAINKEOJJGO-OAQYLSRUSA-N 371.402 5.508 0 1 FKAF O=C(Nc1ccnc(Nc2ccccc2)c1)c1c(Cl)cccc1Cl 96282828 DAPDNKHRFLGXBE-UHFFFAOYSA-N 358.228 5.384 0 1 FKAF c1cc(N[C@@H]2CCCN(Cc3ccc(C4CC4)cc3)C2)c2ccncc2c1 114335900 NWQAWCOYBNUWPT-JOCHJYFZSA-N 357.501 5.189 0 1 FKAF OCc1c(F)ccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1F 117926036 LAORQXHNMGSLSK-UHFFFAOYSA-N 370.786 5.092 0 1 FKAF CCC[C@H]1CCCC/C=C/CCCC(=O)OCCN1C(=O)OC(C)(C)C 169299504 XSXBVWWVGPNFHH-IWHGQQBYSA-N 367.530 5.236 0 1 FKAF COc1ccccc1[C@@H]1Nc2cc(C)ccc2N=C2CC(C)(C)CC(=O)[C@@H]21 169722117 LJYJLZQYZZZOOL-YADHBBJMSA-N 362.473 5.248 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2c1ccncc1 261184713 XAAZZZPPMNDFEH-PKQJRJOWSA-N 351.534 5.489 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cnc(Cl)cc4[nH]3)cc2)CC1 586881948 XYPLNGRSZQYECB-WKILWMFISA-N 367.924 6.742 0 1 FKAF CCc1oc2ccccc2c1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 586904014 PKGHXVYKRVRFBK-UHFFFAOYSA-N 370.477 6.690 0 1 FKAF Clc1cc(Cl)c2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1 587023258 GXUJWPAZRIFZHH-UHFFFAOYSA-N 352.271 5.722 0 1 FKAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587027750 JCRIZTUDGIPTSB-UHFFFAOYSA-N 366.343 5.148 0 1 FKAF Cc1cc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1C 587070867 JTFPAJYZJICBRP-UHFFFAOYSA-N 362.860 6.079 0 1 FKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(Cl)ncc3[nH]2)c1 587093958 WCLBVTCAZXNUHB-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF Cc1cc(Br)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1F 587137626 CTYIQIGRIBVXFO-UHFFFAOYSA-N 374.040 5.747 0 1 FKAF Cc1cccc2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355101 SOFULDFTFVHSDU-UPVQGACJSA-N 374.411 5.040 0 1 FKAF Cc1coc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358256 WFZXNSPKXXSVJD-RBBKRZOGSA-N 366.388 5.015 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@@H]3C(C)C)c1 587365249 GCTSNZMODQHGRS-GOSISDBHSA-N 371.480 6.733 0 1 FKAF Cc1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587373303 IGZOUXPUJOUSNH-FPOVZHCZSA-N 368.429 5.176 0 1 FKAF CC[C@H](C)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587377649 XIWHFLDIOMVAMI-HXPMCKFVSA-N 359.853 5.114 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cc(F)cc(F)c3)cc1)O2 587384615 GFYOWIVZOLDLQB-NRFANRHFSA-N 365.379 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(s1)CCCC3)CC2=O 587493338 DZRSSWREKWSWJU-OAQYLSRUSA-N 356.487 5.166 0 1 FKAF O=C1C[C@H](c2c(Cl)ncc3ccccc23)Oc2c1ccc1c2CCCC1 587503225 XQJJBYNKLGDHQO-LJQANCHMSA-N 363.844 5.474 0 1 FKAF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cccc1C(F)(F)F 587505776 IPJZSLORLXSIIJ-IBGZPJMESA-N 360.375 5.599 0 1 FKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1CCC[C@H](C)C1 587627552 BWSKBAHUNCCBMQ-VIFPVBQESA-N 364.333 5.750 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C[C@H]2c2ccccc2)N1 587815176 KKHYZWQDLSDGGG-NXOXCILZSA-N 374.297 5.141 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](c3ccccc3)C2)N1 587819648 WFVVCRBXSQNXIR-IAMHBRQHSA-N 374.297 5.285 0 1 FKAF Cc1ccc(-c2csc(-c3ccc(-c4ccc(O)cc4)cc3)n2)cc1C 587920037 ASMVNDUFUZGRKB-UHFFFAOYSA-N 357.478 6.467 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587952604 UOCVTPKJOGLZQO-GDLVEWKHSA-N 374.834 6.282 0 1 FKAF CC/C(=C\c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(C)cc1 587966588 JFYONCCHEZAUGM-XYOKQWHBSA-N 364.798 6.494 0 1 FKAF COC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(=O)OC 685935761 DWAPBSKEYARVMF-VNNXFBFOSA-N 362.510 5.458 0 1 FKAF biogenic,in-vitro CCc1ccc(SCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1 1857551508 HYGFVHOHMCNSIF-UHFFFAOYSA-N 362.498 5.376 0 1 FKAF Cc1cc(OCc2ccc(F)cc2)ccc1CNc1cccc(C(=O)O)c1 1857571995 NWHHSMYQHVSHDL-UHFFFAOYSA-N 365.404 5.023 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)C5=C(CC[C@H]4C3=CC[C@H]12)COC5=O 2356795830 MMTHWGHPMFCUNV-YECSIJRFSA-N 354.534 5.829 0 1 FKAF Cc1ccc2cc3cc(C(=O)N4CCCc5ccccc54)sc3nc2c1 4885917 BQHYJADBRBZUIX-UHFFFAOYSA-N 358.466 5.351 0 1 FKAF COc1ccc(C(=O)OCC2=CC[C@@]3(C)CCC(C(C)C)=C3CC2)cc1 5359758 IVRWGDQRYNLFQO-QHCPKHFHSA-N 354.490 5.715 0 1 FKAF biogenic CC[C@H](Nc1ncnc2ccc(-c3c(C)noc3C)cc12)c1ccccc1 13828590 LWLCGOSCHJPTQG-IBGZPJMESA-N 358.445 5.465 0 1 FKAF FC(F)(F)c1ccc(-c2cc(Oc3cncc4ccccc34)ncn2)cc1 14974094 AXEITQQCYRNOAJ-UHFFFAOYSA-N 367.330 5.503 0 1 FKAF COc1cccc(-n2cc(-c3ccccc3)c3c(=O)oc4ccccc4c32)c1 26579847 VSUOGBAJHYSSAI-UHFFFAOYSA-N 367.404 5.413 0 1 FKAF S=c1[nH]c2cc(-c3cccc(Cl)c3)ccc2n1Cc1ccccc1 26663728 ORFNUVUYIRTZOK-UHFFFAOYSA-N 350.874 6.068 0 1 FKAF CC(C)(C)CCc1cn(-c2nc(C(=O)O)cs2)c2cc(Cl)ccc12 29044567 KWCSGHGCXOSYQY-UHFFFAOYSA-N 362.882 5.417 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1ccc(CCC(=O)O)cc1 34301494 GWEOLLCXJGXWOD-ZPOBTFBFSA-N 370.533 6.502 0 1 FKAF CC[C@H](/C=C(\C)CCC=C(C)C)NCCNC1C2CC3CC(C2)CC1C3 45253432 BGJKJRQSZPQDSB-JYRYPWIFSA-N 358.614 5.462 0 1 FKAF Clc1ccc(Cl)c(CO[C@H]2CCc3ccccc3[C@@H]2n2ccnc2)c1 66075796 WDIMXQBJWRAPJO-PMACEKPBSA-N 373.283 5.311 0 1 FKAF Cc1ccc([C@@H](C)NCc2coc(-c3ccc(Cl)cc3Cl)n2)cc1 72101734 LQJTZYDQOPOSGY-CYBMUJFWSA-N 361.272 5.808 0 1 FKAF CCCOc1ccc(-c2nc(CNC3C4CC5CC(C4)CC3C5)co2)cc1 72185769 GREVKFFAVJPYKB-UHFFFAOYSA-N 366.505 5.045 0 1 FKAF COc1cc2c(cc1[C@H](C)NCCCc1ccccc1)C=CC(C)(C)O2 96932051 XGJMHBHRVKZMEX-KRWDZBQOSA-N 351.490 5.163 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)C1 169332987 ZTUCCRORYZZSRU-IKGGRYGDSA-N 356.550 7.067 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)CCC4)nc3ccc(O)c1c23 586992707 YETCPGQGUDXZFA-UHFFFAOYSA-N 363.416 5.308 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(F)(F)F)C4)-c1ccccc1C2=O 586995139 IYLUXFXPFAMZJE-GFCCVEGCSA-N 367.370 5.422 0 1 FKAF Cc1cc(F)c2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc2c1 587050819 UABVHHUHPWAGFR-UHFFFAOYSA-N 364.807 5.810 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc5n[nH]cc5c4)nc13)-c1ccccc1C2=O 587096546 LJJWJTRSHJLWNZ-UHFFFAOYSA-N 361.404 5.298 0 1 FKAF CCCCCc1c(CCC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099455 JHSUIJFIUAAJKA-UHFFFAOYSA-N 357.497 6.440 0 1 FKAF Oc1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2c1 587141159 MPVDCPZBBUTSMA-UHFFFAOYSA-N 368.408 5.506 0 1 FKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cccc(C)c3[nH]2)c(F)c1 587144567 LHBOYFMWNLSCRK-UHFFFAOYSA-N 360.388 5.351 0 1 FKAF COc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1C 587163797 LCYZAPMKWPDGTE-WJDWOHSUSA-N 364.445 5.669 0 1 FKAF CC(C)=CCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353505 LDFACUAZDONTJA-IRLDBZIGSA-N 354.421 5.395 0 1 FKAF COc1cccc(-c2c(C)c(Cc3ccco3)nc3c2oc2ccccc23)c1 587367260 VAKUNHCPTFNZDC-UHFFFAOYSA-N 369.420 6.149 0 1 FKAF COc1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cc1 587410048 KNLWIFMZWIDPBQ-SFHVURJKSA-N 365.454 5.021 0 1 FKAF O=C1C[C@@H](c2ccc(F)c(Cl)c2Cl)Oc2c1ccc1c2CCCC1 587503591 HUILHKCTCDKVHX-INIZCTEOSA-N 365.231 5.718 0 1 FKAF CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587505731 LBCFRCUNVONOEY-HXUWFJFHSA-N 356.849 5.324 0 1 FKAF CC1(C)CC(C)(C)CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603028 KNPGRFHCCSLGIP-GOSISDBHSA-N 366.457 5.329 0 1 FKAF COC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 587630035 OPXLPDGJTFZMDA-UHFFFAOYSA-N 371.717 5.433 0 1 FKAF Fc1ccc(-c2c(-c3ccccc3Cl)[nH]c3ccc(F)c(Cl)c23)cc1 587630795 PRIJFMUEUOBDFH-UHFFFAOYSA-N 374.217 7.087 0 1 FKAF Fc1ccc2c(Cc3ccccc3)c(C(F)(F)Br)[nH]c2c1 587633475 FNURKUMDAKDCJB-UHFFFAOYSA-N 354.169 5.342 0 1 FKAF CC1=C[C@]2(CC(C)(C)C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587824805 YUFMCUVDLMEIRO-KPZWWZAWSA-N 352.291 5.084 0 1 FKAF CC(C)[C@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587847333 KMGGRWLGMIGPAF-APPDUMDISA-N 368.315 5.084 0 1 FKAF CC[C@@]1(Cc2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587850201 CPHYUHGCQAXDEF-DIFFPNOSSA-N 368.315 5.032 0 1 FKAF CCc1ccccc1-c1nc([C@H]2NCCc3c(Cl)cc(Cl)cc32)co1 963106830 LRUBOYHJMUGEGS-IBGZPJMESA-N 373.283 5.446 0 1 FKAF Cc1nc(-c2ccc(F)cc2)oc1-c1csc(-c2ccc(F)cc2)n1 1772640909 HXOAWTZOGAODRV-UHFFFAOYSA-N 354.381 5.719 0 1 FKAF CCc1cccc(-c2nn3c(c2-c2ccnc(Cl)c2)[C@H](C)C(C)(C)C3)n1 1857772949 RJYLXDOMINULIC-ZDUSSCGKSA-N 366.896 5.366 0 1 FKAF CC(C)CNC(=O)CCCCCCCCC=Cc1ccc2c(c1)OCO2 2356420752 MAWWJXXGJOKEBO-UHFFFAOYSA-N 359.510 5.322 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 1725832 XIIAYQZJNBULGD-BHKGRJLKSA-N 372.681 8.498 0 1 FKAF CCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(CCC)c2c1O 3800376 JDOGTWOJGISAJP-UHFFFAOYSA-N 372.892 6.296 0 1 FKAF Cc1ccc(-c2nc(-c3ccccc3)nc3nc(C4CCCCC4)[nH]c23)cc1 13686562 JOTMQRFWDYAWIE-UHFFFAOYSA-N 368.484 6.043 0 1 FKAF in-vivo C=CCSCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 13746612 CXNFNILHSODEJG-DHNNRRLOSA-N 370.558 5.297 0 1 FKAF Cc1cnccc1-c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccc(F)cc1 26567417 KOCYTHSBSWIFSD-UHFFFAOYSA-N 363.823 5.907 0 1 FKAF Cc1cnc([C@H](CO)Cc2cccc3ccccc23)cc1Oc1ccccc1 27564178 YGCWGBSSDDIUHT-NRFANRHFSA-N 369.464 5.654 0 1 FKAF Cc1ccc([C@H]2CC(=O)Oc3ccc4cc(Br)ccc4c32)cc1 29136228 CECHMAZZYNFPIR-QGZVFWFLSA-N 367.242 5.352 0 1 FKAF N=c1sc(-c2ccc(F)cc2)nn1-c1c(Cl)cc(Cl)cc1Cl 29465454 KXODUYHSBNTWSQ-UHFFFAOYSA-N 374.655 5.180 0 1 FKAF COc1ccccc1Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12 72179381 JJSMIMXSJTZOMC-UHFFFAOYSA-N 369.635 5.257 0 1 FKAF c1ccc(Oc2cccc(-c3ccc4nnc(-c5ccncc5)n4c3)c2)cc1 74387351 JBRFUFBFEMQESJ-UHFFFAOYSA-N 364.408 5.251 0 1 FKAF Fc1ccc(C2=N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 84742069 SPXPFHZXLUARDR-HSZRJFAPSA-N 353.396 5.908 0 1 FKAF O=C1Nc2ccccc2/C1=C/c1ccc(-c2cccc(Br)c2)o1 95602132 VZLLXQMTLBDVKN-WJDWOHSUSA-N 366.214 5.202 0 1 FKAF CC(C)N1[C@@H]2CC[C@@H]1CC(OC1c3ccccc3C=Cc3ccccc31)C2 101977667 HMYMSZLQKFXEMI-NHCUHLMSSA-N 359.513 5.680 0 1 FKAF C[C@H]1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cccnc5)=CC[C@H]4[C@@H]3CC[C@H]12 141093659 PCZKIPYRGNBQOP-DPTMYTJASA-N 363.545 5.933 0 1 FKAF C=C/C(C)=C/[C@@]1(C)SC(=O)[C@H](CCCCc2ccc(Cl)cc2)C1=O 169693645 HXZMXQFFGIBWDS-BFMLKRJCSA-N 362.922 5.403 0 1 FKAF CC(C)(C)C1=NN(c2cccc(C(=O)O)c2)[C@H](c2ccc(Cl)cc2)C1 203670266 PGDFBIBSGWKCGX-KRWDZBQOSA-N 356.853 5.392 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 261126438 KIQFUORWRVZTHT-QBQAIOBBSA-N 374.565 5.715 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(O)ncnc4[nH]3)cc2)CC1 586881280 SFKHGVIISOYYQU-SHTZXODSSA-N 350.466 5.190 0 1 FKAF COC(=O)c1cc(Cl)c2nc(-c3ccc(-c4ccc(C)o4)cc3)[nH]c2c1 586902995 KAZXEIRGHZTQFD-UHFFFAOYSA-N 366.804 5.238 0 1 FKAF Cc1nc2[nH]c([C@H](C)SCc3ccccc3)nc2cc1Br 586964268 WKOQEWDOAMEAEP-NSHDSACASA-N 362.296 5.023 0 1 FKAF Fc1cnc(Cl)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc12 587051930 VIDXWOFJFCTZQF-RQJHMYQMSA-N 356.615 5.328 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc(F)ccc3Cl)nc3cccc1c23 587104350 SIQKSIUMURDXCV-UHFFFAOYSA-N 359.787 5.906 0 1 FKAF Cn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc21 587105157 QPDAYROZWGNRRG-UHFFFAOYSA-N 360.416 5.605 0 1 FKAF O=C(O)c1cccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587124195 JEWCZEOGMNOPRU-TWGQIWQCSA-N 364.348 5.043 0 1 FKAF Cc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Cl 587132288 PGHNIHSRHPSMRN-IHWYPQMZSA-N 358.697 5.391 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587153461 RUUGRHIQOOSNQN-UHFFFAOYSA-N 357.310 5.450 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)ccc1OCC)CC2=O 587460928 HUEVHCARHGCHJZ-OAQYLSRUSA-N 374.864 5.277 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC1CCC1)(c1ccccc1)CC2=O 587490666 TUUMAIYEZJOLMI-QHCPKHFHSA-N 350.458 5.396 0 1 FKAF O=C1C[C@@H](c2cccc(-c3cccnc3)c2)Oc2c1ccc1c2CCCC1 587516796 ZVZAOBDUSBKCMW-QHCPKHFHSA-N 355.437 5.334 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C\c2ccccc2)N1 587815184 KKYGRVSXGQMRCZ-LOTMQTPTSA-N 360.270 5.051 0 1 FKAF COc1ccc(C[C@@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1OC 587926915 PUFVZKORHZTAMO-SNVBAGLBSA-N 365.260 5.233 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(Cl)c(C)c2)n1 653765620 VNCJHGDCGHDPJW-HXUWFJFHSA-N 363.892 5.903 0 1 FKAF COc1ccc(NCc2ccc(OC)c(-c3cccc(Cl)c3)c2)cn1 1857556373 NBRNVXFUEOORHR-UHFFFAOYSA-N 354.837 5.031 0 1 FKAF CC(=O)Oc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccccc1 1551685 SKOZBBRNMHJIAB-UHFFFAOYSA-N 371.461 6.069 0 1 FKAF O=C(Nc1ccccc1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 13676236 VLXCCHGDBPKKAK-UHFFFAOYSA-N 371.267 5.905 0 1 FKAF in-vivo COC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCSCC1 13725390 FEARIPFMQMUIBM-UHFFFAOYSA-N 364.510 5.788 0 1 FKAF O=C(c1ccccc1)c1cc(Cl)ccc1OCCNc1ccccc1 13741305 HFICLMFATFDPGY-UHFFFAOYSA-N 351.833 5.062 0 1 FKAF CC1=C(c2ccc(O)cc2)[C@@H](CCCCCCCN)c2ccc(O)cc21 26576905 VPFDRKZPSULTNP-NRFANRHFSA-N 351.490 5.425 0 1 FKAF Cc1c(-c2ccc(O)cc2)n(Cc2cccc(Cl)c2)c2ccc(O)cc12 28767847 HKTYEDMRJSGEQF-UHFFFAOYSA-N 363.844 5.730 0 1 FKAF C/C(=C\Cc1cc(C(=O)O)ccc1O)CC[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C 39008723 XTHUWDOULQJWNT-MNGAKZHMSA-N 358.478 5.001 0 1 FKAF biogenic,in-vitro c1ccc([C@@H](c2ccc(Nc3ccc4c(c3)CCC4)cc2)n2ccnc2)cc1 40873071 GVCAGSUKJPDAPR-VWLOTQADSA-N 365.480 5.753 0 1 FKAF COc1ccc(-c2ccccc2)c2cc(NC(=O)Oc3ccccc3)oc12 45364931 LJHDOOYWZIWTJW-UHFFFAOYSA-N 359.381 5.719 0 1 FKAF in-vivo Cc1noc(NC(=O)N2CCC3(CC2)CC(c2cccc(Cl)c2)C3)c1C 72317480 UIPWMJZVDJWDPJ-UHFFFAOYSA-N 373.884 5.137 0 1 FKAF CCc1cnc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccco2)s1 82165421 SGKJBVQEZRLNGY-CJNGLKHVSA-N 368.506 5.413 0 1 FKAF COc1cc2c(cc1[C@@H](C)NCCCc1ccccc1)C=CC(C)(C)O2 96932053 XGJMHBHRVKZMEX-QGZVFWFLSA-N 351.490 5.163 0 1 FKAF Cc1ccc(N[C@H](c2ccccc2Cl)c2c(C)[nH]c3ccccc23)cc1C 103244960 OHPHITAKOZIRQQ-XMMPIXPASA-N 374.915 6.948 0 1 FKAF CCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1cccs1 104004956 ABEXNITWKIJUJT-HXUWFJFHSA-N 352.459 5.315 0 1 FKAF CC(C)=C[C@H](O)[C@@H](O)/C(C)=C/CC/C(C)=C/Cc1c[nH]c2ccccc12 238757684 RWUFSDSPFFBHHT-NNPOLXHASA-N 353.506 5.071 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC=CC[C@]4(C)[C@@H]3CC[C@@]21C 255260902 QIKNIWLZQDIZOC-HVTJWUSDSA-N 366.633 7.970 0 1 FKAF O=C1CCC[C@@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CC1 586888008 VWHMMAZUTFCKOY-CYBMUJFWSA-N 361.470 5.456 0 1 FKAF OCCCCCCCCCCCc1nc2cccc(C(F)(F)F)c2[nH]1 586894712 ROWHVKQXJQXVJS-UHFFFAOYSA-N 356.432 5.627 0 1 FKAF Cc1nc2ccc(O)c3c2c(c1Cc1ccc(F)cc1)-c1ccccc1C3=O 586988267 HWZJHHFBDSGWNU-UHFFFAOYSA-N 369.395 5.190 0 1 FKAF CCc1ccc(-c2nc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)cs2)cc1 587015347 MWJJKYUYFJBHKX-UHFFFAOYSA-N 374.296 6.223 0 1 FKAF COc1cc(/C=C/c2nc3ccccc3[nH]2)cc(Cl)c1OCC(C)C 587047173 SPPBSSYTKVMDNK-CMDGGOBGSA-N 356.853 5.430 0 1 FKAF Cc1cc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2cc1C 587049542 BBGWDRVPQMWQPS-UHFFFAOYSA-N 357.240 6.414 0 1 FKAF Clc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c(Cl)n1 587063114 PDEDXABZKPMEQR-UHFFFAOYSA-N 365.607 5.240 0 1 FKAF CCCC(=O)O[C@@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097011 NKZFGJIUMGMKQF-AWEZNQCLSA-N 359.425 5.159 0 1 FKAF FC(F)(F)c1cccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587112130 HGTNJLOXQLZKQR-UHFFFAOYSA-N 368.358 5.828 0 1 FKAF Cc1ccc(/C=C\c2nc3cc(Cl)cc(Br)c3[nH]2)cc1F 587146309 IAALTLIUFNTOQU-PLNGDYQASA-N 365.633 5.597 0 1 FKAF CC[C@@]1(CCCC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354852 OWMSLOXNZXHZIB-GMAHTHKFSA-N 370.464 5.865 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3[nH]c4ccccc4c31)CC2=O 587480560 DRBPURFMYPYPML-QHCPKHFHSA-N 361.441 5.023 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1cccs1)(C1CCCC1)CC2=O 587494836 NQNIBCPQSUGOFO-NRFANRHFSA-N 356.487 5.457 0 1 FKAF CCc1c(-c2ccc(Br)cc2F)[nH]c2c(C)cc(Cl)cc12 587625017 YLQVWIWVCKJTAL-UHFFFAOYSA-N 366.661 6.261 0 1 FKAF CCC[C@]1(c2ccsc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587853074 KONPZYJBROSGIL-PIGZYNQJSA-N 368.315 5.228 0 1 FKAF CCc1ccc2[nH]c(-c3ccc(C(=O)c4cccc(OC)c4)cc3)nc2c1 587932059 JYUYGDTVVQNVAS-UHFFFAOYSA-N 356.425 5.032 0 1 FKAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587936850 MJPYWTZZFYMXGF-IVZQSRNASA-N 374.440 5.201 0 1 FKAF CCCn1c(C)cc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1C 962693153 AEWBXVXFCMDAIA-HTAPYJJXSA-N 372.553 5.107 0 1 FKAF CC(=O)CCCCCCCCCCCC[C@@H]1CC[C@@H](OC(C)=O)[C@H](C)N1 2356380589 LRKWDKCSHJWJST-KSEOMHKRSA-N 367.574 5.329 0 1 FKAF CCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]32)C1 2356492222 ZBPQBCXWLUSWGS-QKJFNEDZSA-N 360.538 5.310 0 1 FKAF C[C@@H]1CC[C@H]2[C@H](C1)c1c(O)cc(C=Cc3ccccc3O)cc1OC2(C)C 2356669401 ADICELGPGMRQFN-MNEFBYGVSA-N 364.485 5.959 0 1 FKAF CC(C)C[C@H](N)c1csc(NC(=O)Nc2ccccc2C(C)(C)C)n1 61897664 FDOCSWGFXDSARI-AWEZNQCLSA-N 360.527 5.131 0 3 FKAF Clc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccccc2)cc1 61921044 UTTNXAFZLUWUDU-UHFFFAOYSA-N 353.252 5.899 0 3 FKAF CCOC(=O)[P@](=O)(O)OCC/C=C(\C)CC/C=C(\C)CCC=C(C)C 3790801 RABFGCOKCFSZFY-NXGXIAAHSA-N 372.442 6.154 0 1 FKAF CC1=C[C@@H](c2ccc3[nH]ccc3c2)[C@](C)(/C=C/c2ccc3[nH]ccc3c2)CC1 13384236 AGXPNMMYDKKSMT-FSYXRNBESA-N 366.508 7.193 0 1 FKAF CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)c2ccccc2n1 13525321 HJAUWTPJWSCGJV-UHFFFAOYSA-N 352.437 5.174 0 1 FKAF CC(C)Cc1cccc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)n1 13673131 DIKNEABVEPFIOX-WAEYFDPNSA-N 367.533 5.297 0 1 FKAF CCCC/C=C\[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 34148352 IBXMHGFEWDRXEA-SCEWNMGZSA-N 361.407 5.923 0 1 FKAF aggregator CC(C)=C(/C=C\C(C)=C\C(=O)O)c1cc2c(cc1C)C(C)(C)CCC2(C)C 37865708 KFJQUPNADUACOF-QLEYOENDSA-N 366.545 6.725 0 1 FKAF Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)s1 38823333 BQISWHWVPNTPCD-CQSZACIVSA-N 351.519 5.002 0 1 FKAF COc1cc(Nc2ccnc3ccc(C(C)(C)C)cc23)cc(OC)c1OC 45189636 FPWOHBGDJPLADA-UHFFFAOYSA-N 366.461 5.302 0 1 FKAF COc1cccc(CCNc2cc(-c3ccc(C(C)(C)C)cc3)ncn2)c1 82161142 QBJRNAYTTSIPDK-UHFFFAOYSA-N 361.489 5.104 0 1 FKAF Oc1ccc(Cl)cc1-c1c(S)c(O)nc2ccc(C(F)(F)F)cc12 102173604 LBWCJPOMUSUYBQ-UHFFFAOYSA-N 371.767 5.274 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@](C)(O3)[C@H]2[C@@H]1OC(=O)/C=C/c1ccccc1 238732886 RFPFUPCCKCHQLQ-KYCKSGINSA-N 368.517 5.251 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C1(CCCCC1)CCC3 586989739 DOFMTEHBPIMOPX-UHFFFAOYSA-N 369.464 5.690 0 1 FKAF Cc1ccc(C)c2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc12 586995992 MWLAFYVEWUDAML-UHFFFAOYSA-N 359.267 5.256 0 1 FKAF Cc1ccc(/C=C\c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587099657 QZWPSHDEPCBTRX-SEYXRHQNSA-N 361.444 6.233 0 1 FKAF CCCC[C@H](O)c1nc2c(C)ccc3c2c(c1CCC)-c1ccccc1C3=O 587100466 AIGIGYJJJKBREE-FQEVSTJZSA-N 373.496 5.931 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cccc(Cl)c1CC3 587104165 PAEORTDQECQGBW-UHFFFAOYSA-N 367.835 5.865 0 1 FKAF Cc1c(-c2ccc(C(C)C)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587205887 HDMSMTVKBPEBSN-UHFFFAOYSA-N 363.460 6.545 0 1 FKAF CN(C)Cc1csc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587209133 KFLYAACJSHHQCR-UHFFFAOYSA-N 370.477 5.236 0 1 FKAF CC[C@]1(C)C=Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587364710 BDVGDKQTTZWREP-RUZDIDTESA-N 369.464 6.642 0 1 FKAF COc1cccc(-c2cc(CC3CCOCC3)nc3c2oc2ccccc23)c1 587365450 HETJKQCJQVZPRY-UHFFFAOYSA-N 373.452 5.626 0 1 FKAF O=C1C[C@H](c2cccc3cccc(C(=O)O)c23)Oc2c1ccc1c2CCCC1 587529958 SJOUGFXCWQSBPO-OAQYLSRUSA-N 372.420 5.123 0 1 FKAF Cc1c(-c2ccc(Br)cc2O)[nH]c2c(C)cc(Cl)cc12 587624193 ZQBHJSRMHMITAU-UHFFFAOYSA-N 350.643 5.573 0 1 FKAF Cc1cc(Cl)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587700557 UUHSZVYDIKWSIZ-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587815577 NUJJPQKFLNMBEB-ORAYPTAESA-N 362.286 5.003 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CCC1CCCCC1 587865968 RGJJAJCYNOMKPB-UHFFFAOYSA-N 366.427 5.938 0 1 FKAF COc1ccc(-c2ccc(-c3nc4c(F)cc(F)cc4[nH]3)cc2)cc1OC 587928332 DEXNZVMAKQRAJP-UHFFFAOYSA-N 366.367 5.192 0 1 FKAF C/C(=C\c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C1CCCCC1 587968084 OUBXNBFPYPABCI-JXMROGBWSA-N 359.342 5.596 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccc(Cl)cc1F)C(C)(C)C 963234224 VAHXAHWOAPYVDZ-WAIKUNEKSA-N 373.943 6.425 0 1 FKAF S=C(Nc1cccc(Cl)c1)Nc1ncccc1OCc1ccccc1 1201093874 PITYEZVVAATVJA-UHFFFAOYSA-N 369.877 5.123 0 1 FKAF COc1ccc(-c2cc3oc(=O)cc(C)c3cc2-c2cc(C)cc(C)c2)cc1 1772621538 RJKSBMNQTUQOLV-UHFFFAOYSA-N 370.448 6.061 0 1 FKAF Fc1ccc2[nH]c3c(c2c1)CCN(c1nc2ccc(Cl)cc2s1)C3 1857566512 FNLNCOJORPSFJT-UHFFFAOYSA-N 357.841 5.133 0 1 FKAF COC(=O)[C@H](C)C=CC=C(C)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356444097 KIYHLAKXAOIJFX-LFAGZIFBSA-N 372.593 7.021 0 1 FKAF COc1ccc([C@@H](c2cc3ccccc3o2)c2[nH]c3ccccc3c2C)cc1 2382245127 TXKYPOQBWLQOHQ-DEOSSOPVSA-N 367.448 6.411 0 1 FKAF C[C@H]1C=C(C2=Nc3cc(Cl)ccc3Nc3ccc(Cl)cc32)CCN1C 2382256915 ZIBRSIATVKXQHK-LBPRGKRZSA-N 372.299 5.822 0 1 FKAF O=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccccc1Cl 13834238 YNLYLDZHMDNHMU-UHFFFAOYSA-N 360.284 5.356 0 1 FKAF CCCCC[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 32288914 VIEGBWJBDLNCHK-PTZDDJATSA-N 356.550 5.894 0 1 FKAF CC/C=C\C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CCCCCC(=O)OCC 34249994 GQFKRRSHKDNBDS-GQWUTJOKSA-N 374.565 6.222 0 1 FKAF CC[S@](=O)c1ccc(-c2coc3ccc(-c4ccc(C)o4)cc23)cc1 45283529 NCGGCRHITOMNJS-RUZDIDTESA-N 350.439 5.796 0 1 FKAF CC(C)N1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1 66259986 MLWONAXYSDGFLC-UHFFFAOYSA-N 364.920 5.623 0 1 FKAF CNc1ccc(-c2cn3c(n2)sc2cc(Br)ccc23)cc1 71333023 UORKHNIMSYAYIM-UHFFFAOYSA-N 358.264 5.020 0 1 FKAF c1ccc(Oc2cccc(CNc3nccc4c3[nH]c3ccccc34)c2)cc1 72176706 TZZNHRVCWQAGCZ-UHFFFAOYSA-N 365.436 6.121 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C\Cn1cc(-c2cccc(O)c2)nn1 73044089 HSJZKBKJKGJHPA-UEMLJMNJSA-N 365.521 6.070 0 1 FKAF O=C(c1ccccc1)c1ccc(Oc2cc(NC3CCCCC3)ncn2)cc1 82067556 GTAFOOPVTMQSMI-UHFFFAOYSA-N 373.456 5.245 0 1 FKAF Cc1ccc(NC(=O)Nc2cccnc2Nc2ccccc2C(C)(C)C)cc1 95592870 KGQIAZYULDLPSB-UHFFFAOYSA-N 374.488 6.075 0 1 FKAF [C-]#[N+]c1ccc(-c2ccc3c(c2)CN2CC[C@@]3(c3ccc(Cl)cc3)C2)cc1 146955298 APOHGRUBKIYISF-DEOSSOPVSA-N 370.883 6.063 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)N[C@@H](C)CO 169714044 SQKRUBZPTNJQEM-XERWTWMGSA-N 361.570 5.629 0 1 FKAF Cc1c(Cl)cccc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 221096150 AQOYMSAESYIPFY-INIZCTEOSA-N 357.862 5.379 0 1 FKAF Cc1cccc([C@@H]2Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)c1 586991350 UEZAZOMKFSEBHL-KRWDZBQOSA-N 363.416 5.148 0 1 FKAF Cc1ccc(-c2nc(-c3nc4ccc5ncccc5c4[nH]3)c(C)s2)cc1 587013455 XIALMHNFCHCMQK-UHFFFAOYSA-N 356.454 5.518 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cc(-n5cccc5)ccc4Cl)[nH]c32)n1 587052817 NYZAISUXKMGGLS-UHFFFAOYSA-N 358.832 5.531 0 1 FKAF Clc1cccc(/C=C/c2nc3cncc(Br)c3[nH]2)c1Cl 587054244 NMVPCENTILXUJY-SNAWJCMRSA-N 369.049 5.198 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(Cl)cc(Cl)c2[nH]1 587066830 SDICZVCCAUEWAZ-UHFFFAOYSA-N 369.679 5.843 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc3ccccc3cc2[nH]1 587074591 XXAGTLIRIPOTIU-UHFFFAOYSA-N 368.867 7.012 0 1 FKAF Cc1ccc(/C=C/c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1F 587146885 ZQXGTSVUBPNREF-SNAWJCMRSA-N 371.284 5.230 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(C(C)=O)cc2[nH]1 587241249 YITIGZKMZGFMMB-UHFFFAOYSA-N 357.413 5.185 0 1 FKAF COc1cccc(-c2cc(-c3ccc(F)cn3)nc3c2oc2ccccc23)c1 587361394 ZUNOPJRIIVZNDM-UHFFFAOYSA-N 370.383 5.858 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(Cl)c(Cl)c1)O2 587373505 DPEXHJFRBAHUAK-CQSZACIVSA-N 356.636 5.244 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(OC3CCC3)c1)CC2=O 587465988 IPXQACGORMYWAU-FQEVSTJZSA-N 370.420 5.122 0 1 FKAF CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 587508252 AGTRVRGNWJQXMB-DEOSSOPVSA-N 371.480 5.491 0 1 FKAF CCOC(=O)Cc1[nH]c2ccc([C@@H](C)CC)cc2c1-c1ccccc1Cl 587642194 QOZWBAYLHXEAIZ-AWEZNQCLSA-N 369.892 6.107 0 1 FKAF Cc1c(Cl)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587691384 FGUNBZNDZXUDBE-XYZCENFISA-N 368.677 5.174 0 1 FKAF CC(C)CC[C@@H]1CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587817787 BAJUNQJXWHMGGN-WTANOLMUSA-N 368.334 5.554 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4cnc5ccccc5c4[nH]3)c2)c1 587933911 ZPULRLWULJPKQZ-UHFFFAOYSA-N 367.408 5.159 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(Br)cc2[nH]1 587952113 YENXDCDRXLLGMV-LBPRGKRZSA-N 367.246 5.619 0 1 FKAF COc1ccc2c(c1)[C@](c1ccc(Cl)cc1)(C1CCC1)N(C(C)C)CC2 962094827 SYZDUBMHVSQYOE-HSZRJFAPSA-N 369.936 5.659 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c(Cl)cnc(Cl)c1Cl 963221623 AJVCBFCMHRTBEY-PIGZYNQJSA-N 369.723 5.788 0 1 FKAF Fc1ccc(COc2ccc3c(Nc4cccc(F)c4)ccnc3c2)cc1 1857572915 OFVJTGYPGKMXIH-UHFFFAOYSA-N 362.379 5.836 0 1 FKAF CC(C)=CCCC(C)=CCN1C(=O)[C@@]2(OCCC=C[C@H]2C)c2ccccc21 1857623146 BBKUPXVFOVUPDN-YKSBVNFPSA-N 365.517 5.534 0 1 FKAF O=C1CCCCC[C@H]1CC(Sc1ccccc1)Sc1ccccc1 5924584 QPMNNWMIOHFADR-KRWDZBQOSA-N 356.556 6.437 0 1 FKAF Cn1ccc2cc(Nc3ncnc4cc(-c5ccccc5)sc34)ccc21 13588164 YADYTZSPBHCXQS-UHFFFAOYSA-N 356.454 5.594 0 1 FKAF O=C(O)c1cc2c(Cl)cccc2n1Cc1ccc(Cl)c(Cl)c1 13588885 UFJKKGHGPPWTHG-UHFFFAOYSA-N 354.620 5.348 0 1 FKAF Cc1ccccc1-c1nnc(NNC(c2ccccc2)c2ccccc2)s1 26381935 FCNYYZGXAWPVDI-UHFFFAOYSA-N 372.497 5.220 0 1 FKAF CC[C@H](c1ccc(COC)c(O)c1)[C@H](CC)c1ccc(COC)c(O)c1 27654652 ZKDYEIXJPAYXPN-WOJBJXKFSA-N 358.478 5.078 0 1 FKAF O=P(O)(O)[C@@H](Cc1ccc2ccccc2c1)c1cccc2ccccc12 27876675 JLILTKHQGMQAQD-QFIPXVFZSA-N 362.365 5.455 0 1 FKAF CC(C)Nc1nc2ccc(-c3ccnn3-c3ccccc3F)cc2s1 29041790 VKGOHICTEUCPDF-UHFFFAOYSA-N 352.438 5.108 0 1 FKAF C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 35846502 XAFQBISUIKGUJZ-IRJIZISJSA-N 360.538 5.037 0 1 FKAF biogenic Cc1cc(Nc2ccc(Oc3ccccc3)cc2)c2c(ccc3[nH]cnc32)n1 39214848 CHAGTYBUUZBYBF-UHFFFAOYSA-N 366.424 5.955 0 1 FKAF Cc1ccc(-c2ccc3scc(-c4ccc([S@](C)=O)cc4)c3c2)o1 45284084 BLIDTQXUCVVXAD-XMMPIXPASA-N 352.480 5.874 0 1 FKAF Clc1nc(Cl)nc(C2=CCC3=CCc4cccc5ccc2c3c45)n1 71789494 LFXGFMORTATJBF-UHFFFAOYSA-N 352.224 5.107 0 1 FKAF CC[C@@H](C)Nc1ncc(-c2nc3ccccc3s2)c(-c2ccco2)n1 82166112 VSFVUZTVKAIGIC-GFCCVEGCSA-N 350.447 5.224 0 1 FKAF Cc1c(Cl)ccc2cc3c(nc12)SC(Nc1cccc(F)c1)=NN=C3 98081992 NCJIMPPOMQMPCJ-UHFFFAOYSA-N 370.840 5.243 0 1 FKAF OCCc1ccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1 143114861 HZTUBWNGLIWXGF-UHFFFAOYSA-N 364.876 5.169 0 1 FKAF CCOC(=O)[C@@H](CC)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 169321123 ZPJKGVVSTCROFP-MRXNPFEDSA-N 352.540 5.421 0 1 FKAF COc1cc2[nH]c(C)c(-c3ccc(C(F)(F)F)cc3)c(=O)c2cc1Cl 205289994 HDPCTODVKWWHTB-UHFFFAOYSA-N 367.754 5.184 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cc(Br)c(C)cc4[nH]3)cc2)o1 586903275 NRAOYAMXNOBEIT-UHFFFAOYSA-N 367.246 5.869 0 1 FKAF CCc1oc2ccccc2c1-c1nc2cc(Br)c(C)nc2[nH]1 586904418 WDHCSVSKHUHZLZ-UHFFFAOYSA-N 356.223 5.004 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCCCCCCCC3 586990222 JZQFGAWWUICCMF-UHFFFAOYSA-N 371.480 5.981 0 1 FKAF Cc1ccc2c3c(cc(CCc4cccc(F)c4)nc13)-c1ccccc1C2=O 586996929 WGMSMQPXPJVRQW-UHFFFAOYSA-N 367.423 5.679 0 1 FKAF COc1cccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587047524 JZIQWTCZEFOKNC-UHFFFAOYSA-N 369.251 6.212 0 1 FKAF Cc1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1C 587067764 OHJBSDSZPGSZJJ-UHFFFAOYSA-N 362.860 5.659 0 1 FKAF Cc1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2n1 587073902 QLBANRAQYRWZCV-XDJHFCHBSA-N 373.887 6.093 0 1 FKAF COc1cc(F)ccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103206 HRYTUOASPWENFM-UHFFFAOYSA-N 355.368 5.261 0 1 FKAF Fc1ccc(S)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587140156 CRZTZEQIXNSVRA-UHFFFAOYSA-N 357.635 5.074 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(F)c(F)cc3[nH]2)c1 587195229 FDIDOYFQQBUGIG-UHFFFAOYSA-N 373.403 5.188 0 1 FKAF O=C1c2ccccc2-c2c([C@H]3CCCc4ccccc43)cnc3cccc1c23 587207089 HSNASEUTOSMEOZ-SFHVURJKSA-N 361.444 5.914 0 1 FKAF O=C(c1ccc(Br)c(F)c1)c1coc2ccc(Cl)cc12 587278690 RLHYZIFADYIJKS-UHFFFAOYSA-N 353.574 5.219 0 1 FKAF COc1cccc(-c2cc(-c3ccc(O)nc3)nc3c2oc2ccccc23)c1 587364367 VACQKGDGUZAZPS-UHFFFAOYSA-N 368.392 5.424 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2(CCCC2)C3)c1 587367725 UBQACYJVDFZOMR-UHFFFAOYSA-N 355.437 6.025 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Cl)cc4)o1)[C@@H](C2)C3=O 587420132 HFTKWAZNKFOLNC-YCRPNKLZSA-N 366.800 5.097 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(CCCCF)c1)CC2=O 587468938 ZQTAWJKPXAFBMW-OAQYLSRUSA-N 356.437 5.343 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc4ccccc4cc31)CC2=O 587480501 KZHABQLBOGTLIX-XMMPIXPASA-N 358.437 5.305 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1cc(C)sc1C)CC2=O 587494348 WIOFARCUOUEQIK-OAQYLSRUSA-N 358.503 5.684 0 1 FKAF C[C@@]1(c2c(Cl)ccnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587502096 SXEYOWVPBBNSHD-IBGZPJMESA-N 362.256 5.148 0 1 FKAF O=C1C[C@H](c2cccc(CCCCF)c2)Oc2c1ccc1c2CCCC1 587502658 FWWYACIQLVUPMA-JOCHJYFZSA-N 352.449 5.564 0 1 FKAF Cc1ccc2[nH]c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587802102 JTCDYOZUPQSCFT-WYRIXSBYSA-N 373.269 5.002 0 1 FKAF CCC[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587824477 WZUYYOAUAHKFNW-WRSAYESZSA-N 354.307 5.308 0 1 FKAF Cc1ccc([C@H](C)C[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587830304 SHSGYGMBALTRFH-JRPNMDOOSA-N 366.274 5.259 0 1 FKAF CCn1c2ccccc2c2cc([C@@H]3NCCc4cc(C)c(F)cc43)ccc21 962369920 BUIMIKRYRMDGDP-DEOSSOPVSA-N 358.460 5.497 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(Cc1ccc(F)cc1)c1ccncc1 963235537 WUYIAQSMFHEYMU-UQBPGWFLSA-N 374.503 5.364 0 1 FKAF Cc1cc(Nc2cc(Cl)cc(-c3cc4ccccc4o3)c2)nc(N)n1 1772614395 VRUUGMZIECIDEV-UHFFFAOYSA-N 350.809 5.177 0 1 FKAF CC1(C)C=Cc2c(ccc(C(=O)Cc3ccc(Cl)c(Cl)c3)c2O)O1 1857558435 BREBYZKVTWBSRD-UHFFFAOYSA-N 363.240 5.309 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2cccc(O)c2C3)cc1 1857599492 KTOYQDDFLOFMKR-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF c1ccc2cc(-c3nnc(N4CCCCC4)cc3-c3ccncc3)ccc2c1 1911575831 HEDDEYUBLWOYBE-UHFFFAOYSA-N 366.468 5.349 0 1 FKAF CC1(C)CCC[C@@]2(CO)[C@H]3CC[C@@]4(C)c5cocc5CC[C@H]4[C@@]3(C)CC[C@H]12 2356426920 KGLSSBJCYUTCKF-WZKLNUSSSA-N 370.577 6.115 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C)CCC[C@](C)(O)[C@@H]2[C@H]1OC(=O)C=Cc1ccccc1 2356451258 YPCMOCVARABHRT-PJKILVJMSA-N 370.533 5.235 0 1 FKAF Clc1ccc([C@@H]2C[C@@H](c3cccnc3)Nc3nc4ccccc4n32)cc1 2500043 HKFRJFBVFMBSLZ-ICSRJNTNSA-N 360.848 5.231 0 1 FKAF CC1=C[C@H]2c3c([nH]c4ccccc34)[C@H](c3c[nH]c4ccccc34)[C@H]2C(C)(C)C1 5767708 CZJCZWZKBWLSQX-GLYQVZKVSA-N 366.508 6.871 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(O)c1 13441090 DXTUGHXKISDKJP-UHFFFAOYSA-N 355.522 5.926 0 1 FKAF CCCCOc1ccc([C@H](CC(=O)O)c2cccc(C(F)(F)F)c2)cc1 14978886 OZLDPXLCYNTPCW-SFHVURJKSA-N 366.379 5.491 0 1 FKAF O=C(O)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 27719022 IOTPUQIURNWCBL-UHFFFAOYSA-N 358.372 5.248 0 1 FKAF Cc1cc(-c2ccccc2)c2ncc(CSCCc3ccccc3)n2c1 28877343 YOJRXUNYQGWVNC-UHFFFAOYSA-N 358.510 5.786 0 1 FKAF CN(c1ccccc1)[C@H](c1ccc(Cl)cc1)c1cn(C)c2ccccc12 71340973 KQPWPJQDWZIGMG-HSZRJFAPSA-N 360.888 6.058 0 1 FKAF O=C1C[C@H](c2ccc(F)cc2)N[C@H](c2ccc(F)cc2)[C@H]1c1ccccc1 72171968 IJHNCVKLHVHLEN-AKIFATBCSA-N 363.407 5.093 0 1 FKAF COc1ccc(Cc2nnc(-c3ccc(-c4cccs4)s3)o2)cc1 87528786 SAMAHTOJCQGHIU-UHFFFAOYSA-N 354.456 5.126 0 1 FKAF in-vitro C[C@@H]1CC[C@@H]2C(C)(C)[C@@H]3C[C@@]12CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1 100045799 QJVGPUYCCNEQKK-NHIQJKQLSA-N 369.549 5.534 0 1 FKAF Clc1ccc(C2=NO[C@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 103291889 VBGJUHJPZFPSSP-QFIPXVFZSA-N 363.844 5.785 0 1 FKAF c1ccc(CCCCCSc2c3c(nc4ccccc24)CCCC3)nc1 169310275 KVYPRJGZOVVSOG-UHFFFAOYSA-N 362.542 6.014 0 1 FKAF COc1ccc(C(=O)O[C@@H]2C/C=C(\C)CCCC(C)(C)[C@H](O)/C=C\2C)cc1 169692855 UIBZVWWCDCGANN-DZZKRMGMSA-N 372.505 5.074 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2n1 586980592 YBYMAUWDKIPKNM-UHFFFAOYSA-N 364.674 5.338 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc(Cl)c3)nc3ccc(O)c1c23 586986761 UHNMIPWBHGIHSX-UHFFFAOYSA-N 357.796 5.472 0 1 FKAF Oc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587041334 YMXCETXSSJOJNT-UHFFFAOYSA-N 359.454 5.114 0 1 FKAF Clc1ccc(-n2cccc2)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587049366 HIYHHSTUSBFKEA-UHFFFAOYSA-N 363.635 5.376 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c(Cl)ncnc2[nH]1 587073559 GVHSTAFAXZLUQQ-UHFFFAOYSA-N 355.228 5.302 0 1 FKAF Cc1ccc2c3c(cc(-c4cnn(C(C)C)c4)nc13)-c1ccccc1C2=O 587096332 HNNHCIMTTZLJOY-UHFFFAOYSA-N 353.425 5.199 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C2CC2)CC3)c1 587365335 GUALFNKBBRCJTK-KRWDZBQOSA-N 355.437 6.096 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(SC3CCCCC3)cc1)O2 587412300 YMHSLHNNLVBMNY-NRFANRHFSA-N 367.514 5.709 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(/C=C/c4ccccc4)cc1)[C@@H](C2)C3=O 587445744 OAZKYLMEBDCJCR-CNLMAQTBSA-N 368.432 5.354 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1cc3ccccc3o1)(C(C)C)CC2=O 587483090 RADROGOBUZAQKZ-HSZRJFAPSA-N 364.441 5.608 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)NCc3ccccc3Cl)c2c1 587641306 MJYRDKYWFPBXLD-ZDUSSCGKSA-N 354.881 5.573 0 1 FKAF Cc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587704806 VUBIXAXGVBHISN-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF CC1=C(C)C[C@](C)([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587821779 XOTCENPHHOUBBU-ZNZDAUKMSA-N 366.318 5.690 0 1 FKAF Clc1cnc(Cl)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc12 587956456 RGXZDOVJIPKKKP-OAHLLOKOSA-N 368.267 5.639 0 1 FKAF Cc1nc(N[C@@H](C)c2ccccc2F)cc(-c2ccc3occ(C)c3c2)n1 653749325 DMBWSCXMNLHQOD-AWEZNQCLSA-N 361.420 5.819 0 1 FKAF Cc1c(F)ccc2c1[C@](Cc1ccc(F)cc1Cl)(c1ccoc1)NCC2 962144425 KUMGIXXRSVFBCN-NRFANRHFSA-N 373.830 5.152 0 1 FKAF CC(C)[C@@H]1C[C@]2(c3ccccc31)c1ccsc1CCN2Cc1ccco1 962711679 UOBWCGROTKVTSU-CVDCTZTESA-N 363.526 5.786 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(CCSc2ccccc2)N1 962950624 RXUQCXTZNSUWHH-AOMKIAJQSA-N 350.531 5.490 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccc(Cl)cc1F)C(C)(C)C 963234213 VAHXAHWOAPYVDZ-HJPURHCSSA-N 373.943 6.425 0 1 FKAF O=C(O)c1cccc(-c2ccc([C@@H]3NCCc4cc(Cl)ccc43)s2)c1 963391419 SSJHXGWPQDEDKB-LJQANCHMSA-N 369.873 5.002 0 1 FKAF COc1ccc(-c2nc3ccccc3n2-c2ccc(Cl)cc2)c(OC)c1 1772579879 SIFFWBAWBUUJHR-UHFFFAOYSA-N 364.832 5.363 0 1 FKAF Cn1cc(-c2nn3cc(-c4ccccc4)nc3s2)c2cc(Cl)ccc21 1857544311 DZZMQGLZUVXEFU-UHFFFAOYSA-N 364.861 5.270 0 1 FKAF Clc1ccc(-c2cc([C@@H](c3ccc(Cl)cc3)n3ccnc3)c[nH]2)cc1 1857567319 SKXFVZOXNMCOSN-HXUWFJFHSA-N 368.267 5.823 0 1 FKAF CC1(C)CC(C=Cc2ccc(Cl)cc2)=Cc2c1sc1ncnc(N)c21 1857624178 BGUQECPEELVHLW-UHFFFAOYSA-N 367.905 5.705 0 1 FKAF Cc1ccc(Sc2ncccc2C(=O)N(C)Cc2cccs2)c(C)c1 8150641 FFDKOCUMYVMUKB-UHFFFAOYSA-N 368.527 5.183 0 3 FKAF Cc1ccc(C2=NN(c3ccccc3)[C@@H](c3cccc4ccccc34)C2)cc1 4382191 KURMNYSHIPGJRW-AREMUKBSSA-N 362.476 6.504 0 1 FKAF CCCC(=O)OC1=C(c2ccccc2)Sc2ccccc2-n2cccc21 5499146 LILWTEOGNVXVQO-UHFFFAOYSA-N 361.466 5.752 0 1 FKAF O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@@H](c2ccoc2)N1Cc1ccccc1 13830284 KSYOIXDDZBOZLY-UEQSERJNSA-N 369.464 5.339 0 1 FKAF O=C(O)c1ccc2oc(N[C@@H](CC3CCCCC3)c3ccccc3)nc2c1 28010386 QNUHMLNPZSVQDJ-SFHVURJKSA-N 364.445 5.650 0 1 FKAF CN1CCCc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)ccc21 28972794 JQDQZOXTHDIVIV-UHFFFAOYSA-N 366.848 5.235 0 1 FKAF CCCCCc1cc(O)c2c(c1)O[C@@](C)(CNCC)[C@@H]1CC=C(C)C[C@H]21 29240308 QJMMJXMZDSBPMX-YYDVJCTNSA-N 357.538 5.325 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](O)CCCC(=O)N(C)OC 29555736 MIKOTRZVUFEPEB-JBXXMDPNSA-N 363.542 5.123 0 1 FKAF Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(Cl)ncn1 34802923 KWIZJTLRQLEMEN-UHFFFAOYSA-N 370.243 5.174 0 1 FKAF Cc1cccc(C[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c1 39233845 AOAIGKHFHYWSMX-RUZDIDTESA-N 362.561 5.229 0 1 FKAF CN(C)C[C@@H]1CCc2cc(NCc3ccc(-c4ccccc4)cc3)ccc2C1 72114394 OYEJDXFRODAUIU-OAQYLSRUSA-N 370.540 5.632 0 1 FKAF C1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1ccc2ccccc2c1 206787929 MFOCWHQSENVFHX-HKOYGPOVSA-N 367.492 5.500 0 1 FKAF Clc1ccc(Br)cc1-c1nc2c(cnc3ccccc32)[nH]1 328556900 AWBUOGBXLBHJQA-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF Cc1ccc2c(ccc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc32)n1 587031742 AJDCLKLMJFUAIO-UHFFFAOYSA-N 370.481 5.427 0 1 FKAF Cc1ccc2c3c(c(C(C)C)c([C@H]4CCCNC4)nc13)-c1ccccc1C2=O 587095841 BTBANLLFSVRTKO-INIZCTEOSA-N 370.496 5.345 0 1 FKAF CCc1ccc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2c1 587195906 NZQXPSGBDQVZCZ-UHFFFAOYSA-N 365.477 5.472 0 1 FKAF O=C(c1cc2ccc(Br)cc2s1)c1coc2ccccc12 587281078 SZGNMKZKCDAKDE-UHFFFAOYSA-N 357.228 5.641 0 1 FKAF COc1cccc(-c2cc([C@H]3C[C@H]4CC[C@@H]3C4)nc3c2oc2ccccc23)c1 587365732 OJURRUORRQLPRH-VPWXQRGCSA-N 369.464 6.560 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1C[C@@H]1c1ccccc1Cl)CC2=O 587463784 ZTTFGEFDMIWTIQ-YVHKJVDXSA-N 370.876 5.526 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc([C@H](CC)OC)cc1)CC2=O 587482930 KUKQWLYYAKEFEG-GMAHTHKFSA-N 368.473 5.323 0 1 FKAF Cc1cc(F)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587501177 ANQJXNZKHUHJEA-OAQYLSRUSA-N 358.840 5.547 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2F)N1 587724170 FEGTWGLGNMWXDW-VPTHRUTESA-N 372.640 5.004 0 1 FKAF CC1=CC[C@H]([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587814941 JHLAHJUKMWCZPW-IAISJRAMSA-N 352.291 5.084 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H]2C[C@H]3CC[C@H]2C3)N1 587816496 YXNSAJIUFCFYNB-GZXOXEMDSA-N 366.318 5.164 0 1 FKAF CC[C@]1(C)C=C[C@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587818980 TZVHGOHIYGCUKI-JBBXEZCESA-N 352.291 5.084 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)c3ccccc32)N1 587819130 GTPVWIVLMBCNAZ-YUNKPMOVSA-N 374.297 5.047 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2cccs2)N1 587853720 QZXYRCNJUHRQIF-QFTCPWGKSA-N 366.299 5.113 0 1 FKAF CCCc1cc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)sc1C 587871860 FHLVAJPXTAIRLR-UHFFFAOYSA-N 372.465 5.099 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCOc3c(C)cc(C)cc32)N1 962947582 NUPAUWGKWAEDHO-OSPHWJPCSA-N 360.501 5.125 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]21CCC[C@@H]1c1ccccc1Cl 963099627 PMNKVFJMXOMXHV-WEYGHZABSA-N 355.884 5.663 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1ccc(C(F)(F)F)c(Cl)c1 963100788 JMDQZOWCKAIHHJ-KBXCAEBGSA-N 369.789 5.608 0 1 FKAF COc1ccc(Cl)c2c1CCN[C@@H]2C1CCC(c2ccccc2)CC1 963257107 HIGOOKIATTXTHR-CNXQINBVSA-N 355.909 5.509 0 1 FKAF CC1=C2C[C@@]3(C[N@]4C[C@]45CC[C@@H](CCCO)C5)CC[C@H](C)[C@@]2(CC1)C3(C)C 2356501341 WGPUEWMIWBAADN-DUFNKIFMSA-N 371.609 5.556 0 1 FKAF CC(C)=C[C@H](O)[C@H](O)[C@H](C)CCCC(C)=CCc1c[nH]c2ccccc12 2356622597 JMJIEBPTDSDJNZ-YFXJRYMSSA-N 355.522 5.151 0 1 FKAF CC(C)CCCCCCCCCCCCC=C1C[C@](C)(CO)OC1=O 2356688798 MMCFPAFBIBXHTL-JOCHJYFZSA-N 352.559 5.948 0 1 FKAF Cc1ccc(C)c(N=c2c(Cl)c[nH]c3ccc(Br)cc23)c1 2382250781 ORROJWQVTQOZES-UHFFFAOYSA-N 361.670 5.433 0 1 FKAF CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 606186 KXVBQIPWMNRLPC-UHFFFAOYSA-N 368.908 5.679 0 1 FKAF Clc1ccc([C@H](c2c[nH]cc2-c2ccccc2Cl)n2ccnc2)cc1 5974399 RLRHBWNNGBDKCM-HXUWFJFHSA-N 368.267 5.823 0 1 FKAF CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[P@@](=O)(Nc1ccccn1)c1ccccc1 12559625 ZOUQTPPIGLPWOG-VROSSTTESA-N 372.449 5.490 0 1 FKAF CC(C)(C)c1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2ccccc2)n1 13474637 UECNUHPELBKGGN-UHFFFAOYSA-N 367.880 5.004 0 1 FKAF Clc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n[nH]2)cc1 13755887 YCDXELFFFUYKMO-UHFFFAOYSA-N 365.908 5.152 0 1 FKAF COc1ccc2c(c1)[C@@H](SCCN1CCCCC1)c1ccccc1O2 25969806 KJLFMKXDSQIKLX-NRFANRHFSA-N 355.503 5.109 0 1 FKAF CCOC(=O)c1ccc(/C=C(C)/C=C/[C@]23O[C@@]2(C)CCCC3(C)C)cc1 28235787 OHQAJZCZAQLZGZ-CEMOOHGDSA-N 354.490 5.561 0 1 FKAF Cc1ccc2ccccc2c1-c1nnc(-c2ccccc2C(F)(F)F)n1C 29042735 VMCSHTAQJOUXFS-UHFFFAOYSA-N 367.374 5.630 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/COP(=O)(O)O 64426446 VHUBNUSXPIJYSG-GJCDQOAASA-N 370.470 6.241 0 1 FKAF in-vitro Nc1cccc(SC[C@@H](O)Cn2c(-c3ccccc3)cc3ccccc32)c1 84688210 QQTSPSDTJAAHJG-FQEVSTJZSA-N 374.509 5.044 0 1 FKAF CCCCOc1cc(NC(=O)NCC[C@H](C)c2ccccc2)ccc1OC 95562284 ZMYSXYCLZGPNPX-KRWDZBQOSA-N 370.493 5.189 0 1 FKAF Clc1cnc2nc(Oc3ccc(CN4CCCCC4)cc3)sc2c1 95563074 VUCBYSIOVDIHHL-UHFFFAOYSA-N 359.882 5.123 0 1 FKAF 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 118930218 AZFLHSKQKSZOET-AOUCNHLBSA-N 374.565 5.283 0 1 FKAF C[C@]12CC[C@H]3[C@@H](C[C@@H]4C[C@@]45C[C@@H](O)CC[C@]35C)[C@@H]1CC=C2c1cccnc1 141896027 SGBMHXUDAZFBJG-JLWXQJBRSA-N 363.545 5.479 0 1 FKAF CCCCCc1cc(NC(C)=O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 169323118 SKQAWBCCKFUROO-OAHLLOKOSA-N 355.522 6.122 0 1 FKAF O=C(O)C[C@H](O)CCCCCCCCCCCCCCCCCCCO 219961714 IHEWAAVRGMOJHH-OAQYLSRUSA-N 372.590 5.836 0 1 FKAF in-vitro Cc1nc([C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)co1 261136320 MCSQKDICBVZIBS-MMCSLPJJSA-N 355.522 5.390 0 1 FKAF Clc1ccccc1OCc1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)cc1 587063574 PQQNJVXHPXNYMY-UHFFFAOYSA-N 374.831 5.339 0 1 FKAF Cc1cc(C)c2[nH]c(-c3cccc(-n4nc(C)c(Cl)c4C)c3)nc2c1 587065489 QQEBDHXOORKNNK-UHFFFAOYSA-N 350.853 5.303 0 1 FKAF Clc1cccc(COc2ccc(-c3nc4c(Cl)nccc4[nH]3)cc2)c1 587072336 YVFFDOJFEGCESV-UHFFFAOYSA-N 370.239 5.511 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cccc2c1[C@H]3CCC2 587208683 XUJWWXHCXLYQGY-QGZVFWFLSA-N 359.428 5.895 0 1 FKAF COc1cccc(-c2c(C)c(C3CCNCC3)nc3c2oc2ccccc23)c1 587362462 HVSWLUGOVPHVEQ-UHFFFAOYSA-N 372.468 5.432 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cccs3)c1)CC2=O 587495213 PTTIRTBUOTZQTO-FQEVSTJZSA-N 364.466 5.780 0 1 FKAF COc1cccc([C@]2(C(C)(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525556 PWAVWCPNLBRFQG-DEOSSOPVSA-N 364.485 5.481 0 1 FKAF CSc1ccccc1C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531643 IGEMSVXRUFNKIF-QFIPXVFZSA-N 352.499 5.254 0 1 FKAF CC(C)(C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598511 BHPDWBNWYMHGCL-RDPSFJRHSA-N 374.436 5.295 0 1 FKAF CCC[C@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602376 JRNLPJLLGLPIEA-NFBKMPQASA-N 366.457 5.473 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1-c1cc(F)ccc1Br 587624005 BIQTUZGLXKYQMJ-UHFFFAOYSA-N 352.634 6.007 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3c(C)cccc3Cl)c2c1 587642946 XJJKKHMQZWLYJK-LBPRGKRZSA-N 354.881 6.204 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)s3)c(C(=O)C(F)(F)F)c2c1 587643182 ZLLJXUNISIJHNR-SNVBAGLBSA-N 365.420 6.463 0 1 FKAF CC/C=C(/c1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821917 YRPIITRJSYIYJN-IXCJAITHSA-N 374.297 5.657 0 1 FKAF CC(C)C1CCC([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587822664 LVVXXSKESNKVFL-OILHFSCHSA-N 368.334 5.626 0 1 FKAF Clc1cccc(-c2csc(-c3cccc(Oc4ccccc4)c3)n2)c1 587920058 CFHGTUSVLDROSC-UHFFFAOYSA-N 363.869 6.923 0 1 FKAF CCCC/C=C\c1nc2c(Br)ccc(Br)c2[nH]1 587965317 JQHQEMHAZQYNLF-WAYWQWQTSA-N 358.077 5.291 0 1 FKAF COc1cccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1F 653763468 ADGHUDCTYAOTEC-GOSISDBHSA-N 363.436 5.089 0 1 FKAF C[C@]1(c2cccc3c2NCCC3)c2ccsc2CCN1Cc1ccco1 962712961 ORJZIYZKSPIADR-JOCHJYFZSA-N 364.514 5.021 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1CCP(=O)(OCC)OCC 963235075 FOYIFNIBIPOUJB-QFBILLFUSA-N 353.443 5.041 0 1 FKAF Cc1ccccc1CC[C@]1(c2ccccc2C)NCCc2ccc(O)cc21 963353821 UILFVISHJDJRSG-RUZDIDTESA-N 357.497 5.031 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)nc3c2oc2cc(O)ccc23)c1 1857755271 XWMWRKAEKHCAMA-UHFFFAOYSA-N 353.377 5.726 0 1 FKAF ClC(Cl)(Cl)c1nc(NCc2ccccc2)c2ccccc2n1 5773527 BIHLIPAQMFUZGK-UHFFFAOYSA-N 352.652 5.069 0 1 FKAF O=C(CCCCCCCCCCc1ccccc1)c1c(O)cc(O)cc1O 14652644 AVSGWCVTNWWFLD-UHFFFAOYSA-N 370.489 5.740 0 1 FKAF biogenic O=c1[nH]c(-c2ccc(-c3ccccc3)cc2)nc2sc3c(c12)CCCC3 28125043 JZPDEXTWLPAOSF-UHFFFAOYSA-N 358.466 5.197 0 1 FKAF CCCC[C@@]1(CC(=O)O)OCCc2c1sc1c(Cl)ccc(Cl)c21 28567879 GKDYSNBFODVCMO-KRWDZBQOSA-N 373.301 5.641 0 1 FKAF CN(C)CCOc1ccc([C@@H]2Oc3ccccc3C=C2c2ccccc2)cc1 28761107 JNVGDTKYNMRMLQ-VWLOTQADSA-N 371.480 5.301 0 1 FKAF C[C@@H](/C=C/C(=O)O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 33820872 CZPJWQWXLQPNCL-DEEPXXBCSA-N 370.533 5.123 0 1 FKAF CCC/C=C(\CCC)[C@H](NC(=O)C(C)(C)C)c1ccc(C(=O)OC)cc1 38179201 RMLWMIFCPNWELL-SKTWIKFTSA-N 359.510 5.203 0 1 FKAF CC(=O)c1c(O)cc2c(c1O)CC[C@@](C)(CC/C=C(\C)CCC=C(C)C)O2 64527697 QWVMONRXGJYWDK-PVBBERPISA-N 372.505 5.857 0 1 FKAF O=C(Nc1cccc(Nc2ccc3c(c2)CCCCC3=O)c1)c1ccco1 95573904 QYBWSANVFULQGS-UHFFFAOYSA-N 360.413 5.185 0 1 FKAF Cc1ccc(/C=C2/SC3(CCCCC3)N(c3ccc(F)cc3)C2=O)cc1 96932577 YBJWVZPFRHKBAH-HMMYKYKNSA-N 367.489 5.915 0 1 FKAF CCC[C@@H]1OC[C@]2(COC(=O)NC3CCCCC3)[C@@H](C)[C@@H]1C(C)=C[C@H]2C 107334438 VBWAQBZDGGCZAO-WDMRIIIPSA-N 363.542 5.079 0 1 FKAF biogenic COc1ccccc1[C@H]1Nc2cc(C)ccc2N=C2CC(C)(C)CC(=O)[C@@H]21 169722118 LJYJLZQYZZZOOL-FGZHOGPDSA-N 362.473 5.248 0 1 FKAF Cc1cc(N2CCc3sccc3C2)cc(C)c1NC(=O)CC(C)(C)C 207507403 VIUPXTKFKKQVLV-UHFFFAOYSA-N 356.535 5.302 0 1 FKAF C/C=C(/C)C(=O)O[C@H]1C/C=C(/C)CC[C@@H](C(C)C)[C@@H](OC(C)=O)/C=C/1C 238760207 BNIDKQNFOZHCRT-YCUBANQOSA-N 362.510 5.145 0 1 FKAF CCOC(=O)C1=CN(Cc2ccccc2)c2ccccc2[C@H]1c1ccccc1 473096818 BPKCMUFJJQODNH-XMMPIXPASA-N 369.464 5.286 0 1 FKAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(C(C)(C)CC)cc3)nc2c1 586882253 XYWXGKBFUDRZRQ-UHFFFAOYSA-N 350.462 5.023 0 1 FKAF Cc1ccc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2c1 586980675 DGOHJSZLRYURRB-UHFFFAOYSA-N 366.262 5.400 0 1 FKAF CCc1ccc(-c2nc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)cs2)cc1 587015456 DRZAXQMJVHVRDT-UHFFFAOYSA-N 362.502 5.608 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2C1 587033398 IEDHXPIJFYVALO-MRVPVSSYSA-N 354.372 5.574 0 1 FKAF CCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587108249 YGNNWXVGLRMFJA-UHFFFAOYSA-N 351.405 5.512 0 1 FKAF Cc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Cl 587148385 CJMAIUPPTOWTJV-FQEVSTJZSA-N 365.839 5.865 0 1 FKAF CCOC(=O)Cc1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587153007 JOIVAGDXONXLSC-UHFFFAOYSA-N 374.415 5.142 0 1 FKAF C=Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587349820 CXEFRDBUQFOWSD-UPVQGACJSA-N 374.411 5.449 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]cc1-c1ccccc1)CC2=O 587485915 SBTFUIHUOPAWIY-QHCPKHFHSA-N 361.441 5.220 0 1 FKAF CCCc1c(O)ccc2c1O[C@](Cc1cccc(C)c1)(C1CC1)CC2=O 587488649 JOOGFUUXRHGSTH-QHCPKHFHSA-N 350.458 5.010 0 1 FKAF COc1ccc(C(=O)c2c(C(F)F)[nH]c3cc(Cl)c(F)cc23)cc1 587629737 ZQHNBYXAYVQYRQ-UHFFFAOYSA-N 353.727 5.138 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2Cl)N1 587720254 NCWDRNYXIYSALR-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF CC[C@]1(c2ccsc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587844394 NQAMUCVYKWVKQQ-BMLIUANNSA-N 368.315 5.146 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccc(CC)cc2s1 587873352 ZMPIZMACEYXOMP-UHFFFAOYSA-N 367.449 5.249 0 1 FKAF COc1ccc(C2(c3nc4c(C)cnc(Cl)c4[nH]3)CC3(CCC3)C2)cc1 587936284 KJTXLQDIAGTOBJ-UHFFFAOYSA-N 367.880 5.179 0 1 FKAF FC(F)(F)Oc1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587962761 XUVVMVINGGMRLQ-UHFFFAOYSA-N 368.358 5.719 0 1 FKAF Cc1c(-c2ccc(N3CCCCC3)cc2)[nH]c2cc(Cl)ccc2c1=O 1772642881 NOOKSLYVHNHZMY-UHFFFAOYSA-N 352.865 5.147 0 1 FKAF C[C@@]12C=C(C=CCCc3ccco3)[C@@](C)(C1)[C@@H](CCc1ccco1)CC2=O 1857622826 HSYVZZKTEPXIFY-GLYQVZKVSA-N 364.485 5.926 0 1 FKAF CC1=CC[C@]2(C)CC[C@H]([C@H](C)C(=O)O)[C@@H]2CC=C(C)[C@@H]2CC[C@@H](C)C2=CC1 2356644200 WKRVJDAEDJTSCC-CCTSOVQOSA-N 370.577 6.789 0 1 FKAF CC(C)=CCC[C@](C)(O)[C@H]1CC=C(CO)CCC=C(C)CCC=C(C)CC1 2356747681 PHHSGMBMOUQBFV-RPBOFIJWSA-N 374.609 6.656 0 1 FKAF CC(=O)OCC=C(C)CC[C@@H]1C(C(=O)O)=CC[C@H]2C(C)(C)CCC[C@@]12C 2356752774 QCCOWTLREYYOFG-DXIQSLLYSA-N 362.510 5.140 0 1 FKAF CC1(C)[C@@H](Cc2ccccc2)C(=[N+]2CCCCC2)C=CN1Cc1ccccc1 2382227446 KMDZDCDQUYETQE-DEOSSOPVSA-N 373.564 5.291 0 1 FKAF C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1CC)C(C)(C)CCC2(C)C 13738450 RJKMEUBHGGZRDO-UHFFFAOYSA-N 362.513 6.358 0 1 FKAF C[C@@H](CCc1ccccc1)NCCC(C1CCCCC1)C1CCCCC1 27749380 UYQOWWSEQDILSF-NRFANRHFSA-N 355.610 6.764 0 1 FKAF CC[C@H](C)N(C)C(=O)c1cc2cccc(-c3ccccc3Cl)c2cn1 28123454 GXIFSPGRAJNGQG-AWEZNQCLSA-N 352.865 5.426 0 1 FKAF Cc1cc(N[C@H]2CCC[C@H](NCc3ccsc3)C2)nc2ccccc12 28950881 BRODPNKAATZBFH-ROUUACIJSA-N 351.519 5.118 0 1 FKAF Cc1ccc(-c2ccc3c(Nc4ccccc4)c(C(N)=O)cnc3c2)cc1 28959972 LXESEUGTMJGWTQ-UHFFFAOYSA-N 353.425 5.053 0 1 FKAF O=C(Nc1ccc(Cl)cc1)c1cccc2cc(Oc3ccncc3)ccc12 29135034 QJPWZEVJMJTSRW-UHFFFAOYSA-N 374.827 5.933 0 1 FKAF CC(C)=CCC/C(C)=C/CC[C@H](C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 36351368 RGSSXFUDGRJQJF-XERHLMOHSA-N 361.614 5.967 0 1 FKAF CCCCc1ccc(-c2ccc3[nH]c(C)c(Br)c(=O)c3c2)cc1 45201756 DZVGFHXCEDXHNI-UHFFFAOYSA-N 370.290 5.609 0 1 FKAF CC(C(=O)Nc1c(Cl)cccc1Cl)(C(F)(F)F)C(F)(F)F 68573199 KXECSJNPPJOMRV-UHFFFAOYSA-N 354.077 5.063 0 1 FKAF biogenic Cn1cnc2c(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)ccc21 84705535 KQBSFOHZTGMBMA-UHFFFAOYSA-N 353.469 5.245 0 1 FKAF COc1cc2c(cc1[C@H](C)NCCCCc1ccccc1)CCC(C)(C)O2 96932119 NGLKZLMYVLMJIP-SFHVURJKSA-N 367.533 5.472 0 1 FKAF COc1ccccc1-c1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1C 96940156 RPUOTRKOAXWGJT-UHFFFAOYSA-N 356.421 5.752 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccc(Cl)cc2)nn1 103293850 LFSQFVUXEVMSSI-UHFFFAOYSA-N 363.770 5.868 0 1 FKAF CCCCN(CCCC)C[C@@H](O)c1cnc2c(C)cc(C)cc2c1Cl 169338271 NHMQFOFQUZYJAR-LJQANCHMSA-N 362.945 5.441 0 1 FKAF COCc1ccc(OCc2ccc(Oc3ccc(COC)cc3)cc2)cc1 238746116 ICKODXKLHFZNBL-UHFFFAOYSA-N 364.441 5.351 0 1 FKAF O[C@@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccccc1Cl 587059086 MBMHTEWHERMAHC-LJQANCHMSA-N 350.805 5.090 0 1 FKAF Cc1cnc(Cl)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c12 587064647 KSZDXGAWVGGZRP-UHFFFAOYSA-N 374.227 5.412 0 1 FKAF Fc1cnc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 587082386 MCSGHZSWOZBMSO-UHFFFAOYSA-N 374.806 5.633 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(C)C)[C@H]4C)-c1ccccc1C2=O 587101802 WGBDLINXVYIOKR-CVEARBPZSA-N 355.481 6.077 0 1 FKAF CSC(C)(C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370523 XRWBXUVYKCHMTG-WIYYLYMNSA-N 374.477 5.181 0 1 FKAF COc1ccccc1-c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399818 MNEBGFXDTRWCEX-XMMPIXPASA-N 373.452 5.133 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc([C@@H]3CCCCO3)s1)CC2=O 587493815 HYVPCVLESWNIMZ-ROUUACIJSA-N 372.486 5.354 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccsc3)n1)CC2=O 587495087 NFACUBVCSVCOJH-HXUWFJFHSA-N 365.454 5.175 0 1 FKAF CC(C)COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521698 IXVJLZZDBABKPY-XMMPIXPASA-N 364.485 5.481 0 1 FKAF Cc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601451 GEGUANWBEDQBRL-URXFXBBRSA-N 374.436 5.054 0 1 FKAF O=C(c1c(-c2ccccc2)[nH]c2cccc(F)c12)C(F)(F)Br 587633616 IDHJKWRHTWLKLD-UHFFFAOYSA-N 368.152 5.144 0 1 FKAF O=C(O)c1cccc2c(Cc3ccccc3Cl)c(-c3ccccc3)[nH]c12 587637535 CDHUVEDOKUEREF-UHFFFAOYSA-N 361.828 5.777 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C=C2CCCCC2)N1 587815663 OMRUCGFCHXDEII-KPZWWZAWSA-N 352.291 5.228 0 1 FKAF CCc1cccc(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587817852 DZSJIYAGMBQWHJ-BLVKFPJESA-N 362.286 5.083 0 1 FKAF CC(C)C[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587819612 VRVMYCJNSMKHKB-BIENJYKASA-N 368.334 5.554 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C)CCCCCC2)N1 587821957 YXOKSGASFKTFCR-PXAZEXFGSA-N 354.307 5.524 0 1 FKAF CC[C@@H]1CC[C@H](C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587823686 QYNSVMVFTHGNGT-PZOITXESSA-N 354.307 5.164 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccccc1F 587865386 XVEFPZURBSFLPY-UHFFFAOYSA-N 364.342 5.155 0 1 FKAF CC/C(=C/c1nc2ccc(Br)c(O)c2[nH]1)c1ccc(C)cc1 587968030 RWDCTDZXXXTMDL-BENRWUELSA-N 357.251 5.290 0 1 FKAF CSc1ccccc1[C@@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962695834 FVVWFDOGONPCLV-YCRPNKLZSA-N 373.562 5.175 0 1 FKAF Cc1sc2c(c1C)CCN[C@]2(c1cccc(Cl)c1)C1CCCCC1 963004187 BHRVTSVVGYQVTJ-NRFANRHFSA-N 359.966 5.988 0 1 FKAF Cc1ccccc1[C@@]1(c2cccs2)c2c(F)cccc2C[C@H]2CCCN21 963097795 HKZVVRJMERMUDY-WZONZLPQSA-N 363.501 5.508 0 1 FKAF CC[C@@]1(c2cc(Br)ccc2F)NCCc2cccc(Cl)c21 963391268 RPAYEGSTLXLEJL-KRWDZBQOSA-N 368.677 5.041 0 1 FKAF CC1(C)OC[C@@]2(C[C@@]34CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]3CC[C@H]2C4)O1 1772608518 CUMXMFWUFRFNQK-OCIMHDLJSA-N 360.538 5.120 0 1 FKAF Fc1ccc(-n2ncc3c2C=C[C@]2(CCCC=C2c2ccccc2)C3)cc1 1857577542 BMXRHVHPOUJMAM-XMMPIXPASA-N 356.444 5.835 0 1 FKAF CC(C)=CCCC(C)=CCN1C(=O)[C@]2(C[C@H](C)C[C@@H](C)O2)c2ccccc21 1857622503 FCLSDSXDBAGLFT-REHUZNOOSA-N 367.533 5.756 0 1 FKAF N[C@H](COCc1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 13781123 UJJFHEWMBRIBGS-OAQYLSRUSA-N 351.877 5.016 0 1 FKAF COC(=O)[C@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCc1ccoc1 14691182 JHGCSAXOTKATLR-SVVQVUJASA-N 374.521 5.391 0 1 FKAF O=C(CCc1ccc(Cc2ccccc2)cc1)c1ncc(-c2ccccn2)o1 14979943 VAYUMGOSGZBSMF-UHFFFAOYSA-N 368.436 5.143 0 1 FKAF C/C(=C\CO)CC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 15253715 QVAALZYWZYXTTP-AFDMGGOSSA-N 364.658 8.091 0 1 FKAF endogenous,in-man c1ccc(CCCCN[C@H]2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 26818465 KZXMZCLJNRSAAU-AZGAKELHSA-N 355.525 5.746 0 1 FKAF Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(Cc2ccccc2)CC3)cc1 27719344 ZZFNSUNCPXYQNN-UHFFFAOYSA-N 374.434 5.467 0 1 FKAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CSCC1CCCCC1 28097994 NWFGCXFIIAQPKD-QYCXOUGESA-N 366.567 5.295 0 1 FKAF Fc1ccc(C[C@H](Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 40951580 WSNFIUQCYHDWFF-DEOSSOPVSA-N 356.444 5.716 0 1 FKAF Cc1cc(F)cc2c1NC(=O)[C@@]2(c1ccc(O)cc1)C1CCCCCC1 64540061 DTYGXOKXCOIKGD-JOCHJYFZSA-N 353.437 5.048 0 1 FKAF C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccsc2)nn1 84759237 HVNLNIUOHMSIGD-CYBMUJFWSA-N 361.495 5.984 0 1 FKAF CN(C)C1CCC(c2c[nH]c3ccc(CC(=N)c4cccs4)cc23)CC1 96177595 HITHUJJFOSJMQR-UHFFFAOYSA-N 365.546 5.428 0 1 FKAF CC[C@H](C)CC[C@@H](CC[C@@H](C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191715 OFIAQLKCCAODLR-QORCZRPOSA-N 352.691 9.134 0 1 FKAF O=C(Nc1nc2ccccc2s1)Nc1cc(C(F)(F)F)ccc1Cl 103201591 WDECKWNNTFLSNB-UHFFFAOYSA-N 371.771 5.613 0 1 FKAF COc1ccc(-c2cc3cc(OC)ccc3nc2[C@@H](O)c2ccccc2)cc1 169312328 QHCWUPHEMKOHNQ-DEOSSOPVSA-N 371.436 5.001 0 1 FKAF CCCN(CCC)C[C@H](O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 169332033 HBBSTCVRSBWCMO-VWLOTQADSA-N 374.528 5.571 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc4ccccn4c3)nc3ccc(O)c1c23 586988622 SXLRCJSMMHBMNO-UHFFFAOYSA-N 362.388 5.072 0 1 FKAF c1ccc2cc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3cc2c1 587033380 UFPXJPYSNQUNRE-UHFFFAOYSA-N 355.466 5.724 0 1 FKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(Cl)cnc4[nH]3)c2)c1 587048713 DNWFXZYLLHJLGB-UHFFFAOYSA-N 368.223 5.411 0 1 FKAF Cc1ccc2c3c(cc([C@H](C)Cc4ccccc4)nc13)-c1ccccc1C2=O 587099646 QJNSORAFYNZJCY-QGZVFWFLSA-N 363.460 6.101 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1ccccc1OCC4)-c1ccccc1C2=O 587101409 MZPVECGLLFNTBZ-UHFFFAOYSA-N 363.416 5.357 0 1 FKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(Cl)ncc2[nH]1 587247215 KYKNIIADEKEMDV-UHFFFAOYSA-N 364.836 5.026 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccccc1C)O2 587400565 QYHNGAFNIAIEEK-HSZRJFAPSA-N 373.452 5.171 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3)cc1)CC2=O 587482408 OBORLVROZKIELA-QHCPKHFHSA-N 358.437 5.718 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccsc3)c1)CC2=O 587496802 UZAGNTJXRNXWFX-OAQYLSRUSA-N 364.466 5.780 0 1 FKAF CCc1ccc(-c2n[nH]cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528444 ZWGQOJSNJRAUMH-JOCHJYFZSA-N 372.468 5.224 0 1 FKAF CC(C)[C@]1(CSc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532375 MGJKUFGUGOHBIT-HSZRJFAPSA-N 366.526 5.718 0 1 FKAF CCC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 587630099 RJPRSDJMOUCNKR-UHFFFAOYSA-N 369.745 6.239 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C3CCC3)c2)N1 587821808 XWMQYHACMZRBEI-FKIZINRSSA-N 374.297 5.479 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2cc(F)cc(F)c2[nH]1 587957835 WXKOAZXJLLCXEF-UHFFFAOYSA-N 366.452 5.759 0 1 FKAF CC/C(=C\c1nc2cc(C)cc(Br)c2[nH]1)c1ccc(C)cc1 587967980 QVEDFDNWNSTRDT-SDNWHVSQSA-N 355.279 5.893 0 1 FKAF Cc1cccc([C@H](C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1 653673708 NEQPPQAZECJOCJ-INIZCTEOSA-N 357.457 5.988 0 1 FKAF C[C@@H]1CCC[C@@]2(C1)c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961778853 SXIHSSMCEXEFAB-WAIKUNEKSA-N 370.537 5.243 0 1 FKAF Cc1ccnc([C@]2(c3ccccc3)NCCc3c(Cl)cc(Cl)cc32)c1 963124516 QUDFBAYSPFSDJH-OAQYLSRUSA-N 369.295 5.134 0 1 FKAF CN(CC/C=C/c1ccc(-c2ccccc2)cc1)Cc1cccc2[nH]ccc12 1772583719 FSDKMKQRUQZKCL-VMPITWQZSA-N 366.508 6.370 0 1 FKAF c1ccc2c(c1)ncn2CCCCCn1c2ccccc2c2ccccc21 1857594431 REJXPIUCUPSWMW-UHFFFAOYSA-N 353.469 6.015 0 1 FKAF COc1ccccc1[C@@H]1CCCN1Cc1nc(-c2ccc(C)s2)oc1C 13593626 WOZVHZFFMRRFAK-SFHVURJKSA-N 368.502 5.366 0 3 FKAF Clc1ccccc1-c1nc(NCc2cccs2)c2ccccc2n1 4266199 JSJIUICUDGQXOF-UHFFFAOYSA-N 351.862 5.624 0 1 FKAF COc1ccc(CCCc2ccc(CCCCCCC(=O)O)s2)cc1 13726571 VRPNIYBXZPYPBC-UHFFFAOYSA-N 360.519 5.510 0 1 FKAF CCCCC/C=C\C/C=C\C=C\C=C\c1conc1CCCC(=O)OC 26579046 ZRBZNYJRLIWALG-GDYIDAEQSA-N 357.494 5.823 0 1 FKAF CCC[C@H]1CCC[C@]23CCN(CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13 26668880 BJMDFPOKNMYMML-QMTRIVCPSA-N 353.550 5.190 0 1 FKAF CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1Cl 40429160 XOZXBUKMDWEZOX-UHFFFAOYSA-N 374.315 6.173 0 1 FKAF COc1cc2c(cc1Cl)CCN(C)[C@@H]2Cc1ccc(Cl)cc1Cl 45286866 STXAPSRRLZILPV-QGZVFWFLSA-N 370.707 5.427 0 1 FKAF COC(=O)C1=C(C)N(c2cccc(Cl)c2)C=C(C)[C@H]1c1ccccc1 52566324 ZJSHLUYNMIWAKU-IBGZPJMESA-N 353.849 5.295 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(OC)c2c(c1)OC(C)(C)c1ccncc1-2 59687931 FRKKSADPOQHIHY-IRXDYDNUSA-N 367.533 6.705 0 1 FKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 66112347 OBWGUKUMNJWSCT-VBDYUURPSA-N 366.589 7.103 0 1 FKAF in-vitro CCC(CC)Nc1nc(C)c(-c2ccc(Cl)cc2Cl)nc1OC 72178378 JCUSEPNVGUVELM-UHFFFAOYSA-N 354.281 5.368 0 1 FKAF CCCCC/C=C/C/C=C/C/C=C/C/C=C/CC[C@@H](C)C(=O)NCCO 87723095 POPPPMLPRVFFPI-YUQOLXQZSA-N 361.570 5.487 0 1 FKAF CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 142595630 XMKGJJDWZVKHBI-ZBEGNZNMSA-N 370.251 5.167 0 1 FKAF Cc1ccc(NC(=O)Nc2ncccc2OCc2ccc(Cl)cc2)cc1 206980177 CCRQFIXETBSJDA-UHFFFAOYSA-N 367.836 5.266 0 1 FKAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586912411 OMUZJEXRCZCYHT-KBXCAEBGSA-N 363.486 5.512 0 1 FKAF CC(C)(C)c1cccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587004524 VXTXEFCPHPPTHJ-UHFFFAOYSA-N 369.266 5.166 0 1 FKAF CSc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587077471 YRLZQWLQXMJBDD-UHFFFAOYSA-N 367.861 5.373 0 1 FKAF FC(F)(F)Sc1ccc(/C=C/c2nc3cc(Cl)ncc3[nH]2)cc1 587125186 OLONOUPQLDSFPC-ZZXKWVIFSA-N 355.772 5.394 0 1 FKAF Fc1cc(Cl)cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587125852 UNAWIAUFJSSHIH-ZZXKWVIFSA-N 372.774 6.138 0 1 FKAF Fc1ccc(/C=C(\c2nc3ccc(F)c(F)c3[nH]2)c2cccs2)cc1 587164142 OEYANEATSYDIMN-RAXLEYEMSA-N 356.372 5.631 0 1 FKAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587168980 PGRMOQRCVVEWRH-OAHLLOKOSA-N 362.404 5.421 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cccc1SC(C)C)O2 587410427 STUMMZBFEUPAIK-INIZCTEOSA-N 361.894 5.438 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccccc1C)CC2=O 587484517 SORJQUZFIALPAZ-XMMPIXPASA-N 372.464 6.027 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc3nccc(Cl)c3s1)CC2=O 587495926 QLQRWFXUYQIXEJ-INIZCTEOSA-N 373.861 5.314 0 1 FKAF O=C1C[C@]2(CCCc3cc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587498274 DTTIMRZLGPDKFW-QFIPXVFZSA-N 352.861 5.416 0 1 FKAF O=C1C[C@@H](c2ccccc2Oc2ccccc2)Oc2c1ccc1c2CCCC1 587520722 BLYQMZUUKNFWGI-DEOSSOPVSA-N 370.448 6.064 0 1 FKAF CCOc1cc2c(cc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 587525085 PQCIAPCIZDPOEK-HSZRJFAPSA-N 362.469 5.159 0 1 FKAF CCSc1ccccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587530672 DCWZVELYEJJBNA-JOCHJYFZSA-N 352.499 5.558 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccccn3)s2)Oc2c1ccc1c2CCCC1 587533963 ZWFWLBVTYQLRDP-LJQANCHMSA-N 361.466 5.395 0 1 FKAF Cc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547183 LCESTTNWTHXQPK-NQIIRXRSSA-N 366.800 5.057 0 1 FKAF Cc1cccc(OCc2nc3cc(Br)c(C)c(C)c3[nH]2)c1C 587563400 CWYFUXXLAPLCBW-UHFFFAOYSA-N 359.267 5.138 0 1 FKAF CC[C@]1(c2ccsc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613199 MSVGUHBOIPSXLF-WIYYLYMNSA-N 366.438 5.029 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(CCc3ccc(Br)cc3)c(C)c2c1 587638336 FSJJWSNMFVNIOA-AWEZNQCLSA-N 370.334 6.538 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)cc2)N1 587699433 KRIWOWAGRJPULD-BTDLBPIBSA-N 368.677 5.039 0 1 FKAF Cc1cccc(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587815667 OMXUUGBYBZJZFV-BFUOFWGJSA-N 362.286 5.003 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C)CCCCCC2)N1 587818279 HKROFQVEMFBANL-SJCJKPOMSA-N 354.307 5.524 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccccc1F 587864067 CCUYRJBCLPDYKM-UHFFFAOYSA-N 350.315 5.096 0 1 FKAF c1ccc(Sc2ccc3[nH]c(-c4ccc(OC5CCC5)cc4)nc3c2)cc1 587950972 HTRLBRIOQLOIGC-UHFFFAOYSA-N 372.493 6.312 0 1 FKAF C[C@H](Oc1ccccc1Cl)[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963118947 XYFSCMDOVXDJRI-XXHMAFKTSA-N 359.872 5.182 0 1 FKAF CCC/C=C/C=C/CCCC/C=C/C=C/CCc1cc(OC)cc(=O)o1 15269435 PZAYALWUASATCU-KFEOSCLUSA-N 356.506 6.166 0 1 FKAF CN1CCC/C1=C1/C(=O)N(c2cccc(Cl)c2)c2cc(Cl)ccc21 27439475 ILQQTNGQOOKNAZ-VLGSPTGOSA-N 359.256 5.108 0 1 FKAF CS[C@@H]1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1 29479523 OPWKHQLCVNALOU-MRXNPFEDSA-N 359.292 5.255 0 1 FKAF Clc1ccc(C[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 33493880 MAUZZLMDDSUTCD-AWEZNQCLSA-N 365.691 5.870 0 1 FKAF Cc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(Cl)cc32)c1 40891762 JUCCYTSUCUSIEW-MRXNPFEDSA-N 360.910 5.237 0 1 FKAF Cc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc3oc4ccccc4c3c1)N2 72118234 GREPKODIKWELEL-AYCKEJKLSA-N 369.464 6.529 0 1 FKAF Cc1nc(-c2cnc(NCc3ccccc3F)nc2-c2ccccc2)oc1C 82163269 RPODIEBHMRHLMK-UHFFFAOYSA-N 374.419 5.167 0 1 FKAF CCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2cccc(C)c2)n1 82167354 SYBFEKKYTJUNKY-UHFFFAOYSA-N 352.507 5.404 0 1 FKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(O)cc2)cc1O 84652128 BBTTUQSLOSGAHM-OBOBVVSZSA-N 364.485 6.209 0 1 FKAF C[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 84690318 CKMSNVMYZASRFE-QFIPXVFZSA-N 363.504 6.329 0 1 FKAF CC[C@H](C)CCCCCCC/C=C/[C@H](C)[C@H](O)CCCCCC(=O)O 85843801 FVAQKIAHIHAUHV-DIMYTHDMSA-N 354.575 6.352 0 1 FKAF CCC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(C(C)C)cc1 95590433 TUEHPPOJHMSRPU-JAIQZWGSSA-N 350.433 6.142 0 1 FKAF COc1ccc2c(c1)CC[C@H]1[C@H]3C=C[C@@](O)(c4ccccc4)[C@@]3(C)CC[C@@H]21 169308080 PRCGTYKZJAVITA-VCDBXAJLSA-N 360.497 5.215 0 1 FKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@H](OC)c1cc(C)cc(C)c1 230840092 ZALUMISHQCEWOT-HXUWFJFHSA-N 371.864 5.351 0 1 FKAF COc1cc2ccnc(CCc3ccc(C(F)(F)F)cc3)c2cc1OC 299853796 QCFGWAUVEVBYHH-UHFFFAOYSA-N 361.363 5.056 0 1 FKAF OCc1ccccc1-c1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 586894973 IYIQZUWKERYNDX-UHFFFAOYSA-N 369.251 5.696 0 1 FKAF CC1(C)COc2c(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cccc21 586913013 ZCTATHGYGANGEY-UHFFFAOYSA-N 356.425 5.692 0 1 FKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C)cccc2[nH]1 586981293 NWRGQAWLIZKSAH-UHFFFAOYSA-N 366.262 5.400 0 1 FKAF Cc1cc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1C 587013630 ADQFYBMMMZVPMI-UHFFFAOYSA-N 353.878 5.932 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](C3CC3)C2)[C@@H]1c1ccc(F)cc1 587349570 GGOHYOJSIHHOQR-VZPUWSDOSA-N 366.432 5.229 0 1 FKAF CC[C@H](C)C[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354104 MVHQNEPAHLUHFX-PRPYNDMISA-N 356.437 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCCOc1ccc(Cl)c(C)c1)O2 587374641 IMICDUDFRWUSDT-NRFANRHFSA-N 373.880 5.122 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3ccccc3)cc1)O2 587397749 ARYZFOQUMNYNAB-DEOSSOPVSA-N 373.452 5.037 0 1 FKAF CC[C@]1([C@@H](C)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599382 FRSBZHKHYIBZHY-VZDNWZCBSA-N 374.436 5.306 0 1 FKAF CCc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2N2CCOCC2)cc1 587627091 NQYCPOOKLDIOFM-UHFFFAOYSA-N 354.881 5.196 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(F)F)c2)N1 587717640 LUZGUTLSABNPBX-JDNHERCYSA-N 370.212 5.149 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)CC2)N1 587817106 IJFDEBAFTWHVCD-RNODOKPDSA-N 372.281 5.195 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c2)c1 587933670 VCSJSZMORVCAPQ-UHFFFAOYSA-N 372.468 5.909 0 1 FKAF Cc1cc(Cl)cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587949382 DWSGZFLOISOHAT-QXMHVHEDSA-N 360.844 6.487 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587952336 OYKDCCQRXFBZDQ-SCRDCRAPSA-N 356.388 5.508 0 1 FKAF CCOC[C@]1(C)C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 2356367276 ZTRZDZWICICOGN-BLONLQRCSA-N 362.554 5.527 0 1 FKAF COc1cc(-c2c[nH]cc2-c2ccc3ccccc3c2)cc(OC)c1OC 2382257078 XESSHYQCWKVIMK-UHFFFAOYSA-N 359.425 5.528 0 1 FKAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCCC 4213794 GGIMTSBTXJOXKT-VXKWHMMOSA-N 372.553 5.740 0 1 FKAF Clc1cc2nc(Br)n(Cc3ccccc3)c2cc1Cl 5934310 QGERSLDFLRDMRM-UHFFFAOYSA-N 356.050 5.154 0 1 FKAF CCc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 13738441 QILMPCDNRZKKIT-UHFFFAOYSA-N 364.485 5.527 0 1 FKAF C/C=C(/C)C(=O)O[C@H]1C/C=C(\C)CC[C@@H](C(C)C)[C@@H](OC(C)=O)/C=C/1C 15254113 BNIDKQNFOZHCRT-VWIZUVGESA-N 362.510 5.145 0 1 FKAF Cc1ccccc1NC(=S)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 28709438 KQQQJIZAYKTKAI-QFIPXVFZSA-N 371.509 5.543 0 1 FKAF O=C(NCc1cccs1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1 28957303 AQRRWNJTDQZWAN-UHFFFAOYSA-N 352.286 5.309 0 1 FKAF CCN[C@@H](COCc1cc(C)cc(C)c1)C(c1ccccc1)c1ccccc1 29555620 SNRPTOFWJUUQPQ-VWLOTQADSA-N 373.540 5.630 0 1 FKAF CC(C)Oc1ccccc1OCCNCc1cccc(-c2ccsc2)c1 35259210 DRSYLBZPVRFSTI-UHFFFAOYSA-N 367.514 5.371 0 1 FKAF Fc1ccc(/C=C2\CCC[C@H]3C2=NC(S)=N[C@@H]3c2ccc(F)cc2)cc1 36201786 BANJUPPHKPNCDQ-BDZHWRPJSA-N 368.452 5.630 0 1 FKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OCCCC)c(C)c2)n1 72183443 NTVJJPUUSCXHLC-SFHVURJKSA-N 358.526 5.887 0 1 FKAF C[C@H](CCc1ccccc1)Nc1cc(Oc2cccc(Cl)c2)ncn1 82067675 SBGBAAHXNKJHEF-OAHLLOKOSA-N 353.853 5.356 0 1 FKAF Cc1cccc(-c2nc(N[C@@H]3CCCC[C@H]3C)ncc2-c2ncc(C)o2)c1 82167459 UTEDNAHRRJWYIT-DNVCBOLYSA-N 362.477 5.406 0 1 FKAF CC[C@@H](C)Cn1c(C(C)C)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188712 CWERRRAGKSRBFJ-IAGOWNOFSA-N 365.525 5.211 0 1 FKAF COc1ccc2cc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)ccc2c1 84653011 PMMFFQFKEZFCLX-UHFFFAOYSA-N 357.457 5.598 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1cccc2oc(=O)ccc12 84732234 JFTLBRRSHJBOHA-QZAMUAOBSA-N 366.501 6.591 0 1 FKAF Clc1ccc(C2=N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 84742067 PWUNLARUNVGXMG-QHCPKHFHSA-N 369.851 6.422 0 1 FKAF COc1cc(OC)c2c(c1O)C=C[C@](C)(CC[C@@]1(C)CCC=C(C)[C@H]1C)O2 87529603 KDDVGLFIPJEMAU-ZGNKEGEESA-N 372.505 5.736 0 1 FKAF biogenic,in-vitro Oc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3Cl)c2)cc1 95554165 ICRCDXYPKZBUHY-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF CCCCCn1c2ccccc2c2cc(C(=O)NCC(C)(C)C)ncc21 96938363 JSXJBGNWNNYUBU-UHFFFAOYSA-N 351.494 5.156 0 1 FKAF c1cc2c(cc1Nc1nc(C3C4CC5CC(C4)CC3C5)cs1)OCCO2 299825476 YMQARXJRHNSMEU-UHFFFAOYSA-N 368.502 5.198 0 1 FKAF Cc1cc(Br)c2[nH]c([C@H](C)SCc3ccccc3)nc2c1 586964316 XRFAJVPCBWGEAZ-LBPRGKRZSA-N 361.308 5.628 0 1 FKAF Fc1cc(Cl)cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074685 VHAFLGASJUCACR-INIZCTEOSA-N 364.251 5.346 0 1 FKAF CSc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 587075647 KFNJXVNXVDABJZ-UHFFFAOYSA-N 354.866 5.099 0 1 FKAF FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587083697 GTHHIGSPJXLYNW-UHFFFAOYSA-N 373.765 5.964 0 1 FKAF Fc1ccc(-c2ccccc2-c2nc3ccc4c(c3[nH]2)CCCC4)cc1F 587145187 KYAORMLGFWHOIS-UHFFFAOYSA-N 360.407 6.054 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(C)(C)C[C@@H]3C)c1 587367841 XTSFQOYNSBVLQT-HNNXBMFYSA-N 371.480 6.733 0 1 FKAF CC[C@]1(c2ccc(C(F)(F)F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587383046 VCDJGEVXRKWKSU-GOSISDBHSA-N 367.342 5.006 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)(C)C)cc1)(C(C)C)O2 587404077 UPQBNABJPMCCMU-QHCPKHFHSA-N 351.490 5.391 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1SC(C)(C)C)O2 587408069 DNRXRMWYYACSFO-OAQYLSRUSA-N 355.503 5.348 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1O[C@H](C)CC)CC2=O 587488153 YOCGKQDBODUEQS-SPLOXXLWSA-N 354.446 5.229 0 1 FKAF CC(C)(C)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498801 HCWUDHLQKHFCMV-QHCPKHFHSA-N 368.904 6.126 0 1 FKAF O=C1C[C@]2(CCCc3cccc(Cl)c32)Oc2c1ccc1c2CCCC1 587500488 PFMRGANEZSXSMM-QFIPXVFZSA-N 352.861 5.416 0 1 FKAF Fc1ccc2[nH]c(-c3cccc(Cl)c3)c(-c3cccnc3)c2c1Cl 587628820 QVWLZYJTPXTKRC-UHFFFAOYSA-N 357.215 6.343 0 1 FKAF CCOC(=O)c1c(-c2ccc(OCC)c(Cl)c2)[nH]c2cc(F)ccc12 587632478 DXZFDLUEMKQSBL-UHFFFAOYSA-N 361.800 5.203 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccc(Cl)cc3)c2c1 587639692 BNFMMEVCTVSVFA-INIZCTEOSA-N 359.900 7.669 0 1 FKAF COc1ccc2cc(-c3nc(-c4ccc(SC)cc4)cs3)ccc2c1 587924501 AUSKLAJYLYELGK-UHFFFAOYSA-N 363.507 6.361 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(C(F)(F)F)c(F)c3)n2)cc1 587925794 UVFPUIXQZORDKY-UHFFFAOYSA-N 369.408 6.357 0 1 FKAF O=C(O)c1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1F 587951201 YBOUICMRSXLZGQ-ZHACJKMWSA-N 374.371 5.363 0 1 FKAF CCc1ccc(-c2ccc([C@@H]3N[C@@H](CC)Cc4c3[nH]c3ccccc43)o2)cc1 962946680 ACPHNEWDRZFNQZ-BVZFJXPGSA-N 370.496 6.004 0 1 FKAF Cc1ccc([C@]2(C(F)(F)F)c3ccc(F)cc3C[C@@H]3CCCN32)cc1C 963102614 NECUJXNRDSOTLC-AZUAARDMSA-N 363.398 5.269 0 1 FKAF Cc1ccc(CC[C@]2(c3ccc(C)cc3C)NCCc3ccc(O)cc32)cc1 963342686 RUHZMKPPZABMSB-AREMUKBSSA-N 371.524 5.340 0 1 FKAF O=C(Nc1cccc2cnccc12)NC(c1ccccc1)c1ccccc1 14973663 ZBZSZXCYOYRLKL-UHFFFAOYSA-N 353.425 5.146 0 1 FKAF in-vivo O=Cc1nn(-c2ccccc2)c2c1CCC[C@H]2Cc1cccc2ccccc12 26573111 GLIWIXDOLORLPZ-FQEVSTJZSA-N 366.464 5.501 0 1 FKAF CC/C=C\C[C@@H](O)CC/C=C\CCCCCCCc1cc(O)cc(O)c1 28972204 VWQPNCPIVYGVMV-NYUKNHBNSA-N 360.538 6.035 0 1 FKAF CC(C)(C)n1nc(Cc2ccc(Cl)cc2Cl)c2ccccc2c1=O 40564761 NOXPFNQEDXSLKZ-UHFFFAOYSA-N 361.272 5.049 0 1 FKAF O=C(NCCC1CCCCC1)N1C2=C(CCCC2)S[C@H]2CCCC[C@H]21 72142425 FRFCVZLQVMCKFN-MJGOQNOKSA-N 362.583 5.812 0 1 FKAF C[C@@H]1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cccnc5)=CC[C@H]4[C@@H]3CC[C@H]12 141093850 PCZKIPYRGNBQOP-XQQHUQLZSA-N 363.545 5.933 0 1 FKAF C[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 142116853 ZEEIEVIXJBFZCH-KZOZXTDKSA-N 374.609 5.723 0 1 FKAF FC(F)(F)c1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1 169348237 VKVCARRHDCSKRI-UHFFFAOYSA-N 359.134 5.729 0 1 FKAF CCCCN(CCCC)C(=O)c1ccc(-c2ccc3c(c2)OCO3)s1 169349630 SBBAOUYJKCPDDB-UHFFFAOYSA-N 359.491 5.186 0 1 FKAF CN1CC[C@@]2(c3cccc(O)c3)Cc3[nH]c4c(ccc5ccccc54)c3[C@H]1C2 194996297 JJKQYSOUHFAGGN-RCZVLFRGSA-N 368.480 5.288 0 1 FKAF Clc1ccc(CNCC[C@@H]2C[C@@H]2c2cc3cc(Cl)ccc3[nH]2)cc1 211028105 WWNFLUMVIANVTH-KDOFPFPSSA-N 359.300 5.758 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ccccc3O)c2)cc1 299834826 ZQLOWZOBNWTCQG-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF CSc1cccc(N(C)C(=N)Nc2cccc3c(Cl)nccc23)c1 299840934 WXLIRXYZBQYDGH-UHFFFAOYSA-N 356.882 5.093 0 1 FKAF CCc1c(-c2ccc(O)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992047 SELHUCQSNINVCL-UHFFFAOYSA-N 367.404 5.087 0 1 FKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(F)cc2[nH]1 587034069 MLLVYDXXQCLYHB-OAHLLOKOSA-N 367.449 5.188 0 1 FKAF Clc1ccccc1NCc1nc2cc(Br)cc(Cl)c2[nH]1 587060189 DZFRQJTVGAXLMB-UHFFFAOYSA-N 371.065 5.244 0 1 FKAF Cc1onc(-c2nc3c(C)cccc3[nH]2)c1COc1ccccc1Cl 587063218 IQIVQEZZTXQFHJ-UHFFFAOYSA-N 353.809 5.067 0 1 FKAF Cc1cc(-c2nc3c(C)ccc(C)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145047 RWQQAIILCKNHMH-UHFFFAOYSA-N 374.415 5.659 0 1 FKAF Fc1cc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2cc1Cl 587195314 DGYRUVPOCGFPOK-UHFFFAOYSA-N 365.839 5.562 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 587250766 PBXBYGIGRSKMEF-UHFFFAOYSA-N 354.240 5.786 0 1 FKAF CCCCCC[C@@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587402721 GYYATLKMUQHVKA-QHCPKHFHSA-N 367.489 5.417 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccc(C)cc4)c1)[C@@H](C2)C3=O 587446018 RLXOKMABUUZIPN-RDPSFJRHSA-N 356.421 5.159 0 1 FKAF C[C@]1(c2ccc(-c3ccccc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587533175 UTWVBAJRBGQJGU-XMMPIXPASA-N 374.505 6.175 0 1 FKAF C[C@@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 587628413 KHIAOGNWDXHYQC-MRVPVSSYSA-N 352.192 5.469 0 1 FKAF CCOc1cc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)ccc1C 587778326 LYAGLKGPXYVVHV-UHFFFAOYSA-N 359.267 5.316 0 1 FKAF Cc1cc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2[nH]1 587803309 OUUKYGXBSLSLNZ-OVWNDWIMSA-N 373.269 5.002 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C)(C)[C@@H]1CC[C@@]2(C)C1 587819610 VMWPALSTKQDQDB-LDWAOTCXSA-N 366.318 5.164 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824891 ATAKSFXTICDOLC-PITQQHRWSA-N 368.334 5.410 0 1 FKAF CC(C)c1cc(OC(C)(C)C)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O 587936448 CVYJBQIUZMTCKC-UHFFFAOYSA-N 370.493 5.039 0 1 FKAF Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O 587941561 PYMLFTQRZKEUNI-UHFFFAOYSA-N 361.439 5.464 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587955376 OAIPDXCALCKQOA-UHFFFAOYSA-N 350.409 5.809 0 1 FKAF COc1ccc2c(c1OC)[C@H]([C@H](C)[C@@H](C)CCC=C(C)C)N(C)[C@H](C)C2 962616664 AMCUJBRTIRNFGA-FBAVSBLXSA-N 359.554 5.640 0 1 FKAF CCC(C)(C)[C@@]1(c2ccccc2OC)c2c(F)cccc2C[C@H]2CCCN21 963119076 YZWSCTOQXLVPOM-HOYKHHGWSA-N 367.508 5.535 0 1 FKAF COc1cccc(-c2nc(Nc3cccc(SC)c3)c3cccnc3n2)c1 1772624982 KFCRPGOXYGVSRK-UHFFFAOYSA-N 374.469 5.166 0 1 FKAF CC(C)(C)c1cc([C@@H](c2ccccn2)N2CCOCC2)cc(C(C)(C)C)c1 1857556819 BUIDABRHQGPDPS-QFIPXVFZSA-N 366.549 5.098 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(F)cc3)nc3c2Cc2c(O)cccc2-3)cc1 1857577846 GRAMBEPKCKJLDC-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF COc1ccc(-c2noc3c2-c2nc(-c4ccccc4)sc2CC3)cc1 12477557 PCCWDXVVCLTCNO-UHFFFAOYSA-N 360.438 5.239 0 3 FKAF COc1cc(-c2c(-c3cccc(C)c3)oc3ccccc23)cc(OC)c1OC 15934065 YNHZHVLSFMICPQ-UHFFFAOYSA-N 374.436 6.101 0 3 FKAF O=C(NC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773406 DFINSGFGKOBKFC-UHFFFAOYSA-N 370.449 5.272 0 1 FKAF CCCC[C@H]1Oc2ccc(OC)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 3831962 NBYXOMZEWLMKJB-OAQYLSRUSA-N 363.501 6.593 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](C)C(=O)NCCO 13761119 POPPPMLPRVFFPI-AQNSPSBUSA-N 361.570 5.487 0 1 FKAF CCCO[C@@H](c1ccccc1Cl)[C@H](SC(C)(C)C)n1cnc(C)c1 45366938 ZQMAZVIVIYATFX-ROUUACIJSA-N 366.958 6.043 0 1 FKAF Cc1cc(C(=O)O[C@H]2Cc3cccc4cccc2c34)ccc1Br 98084811 QPYZLTLQGISONP-SFHVURJKSA-N 367.242 5.365 0 1 FKAF C[C@@H](O)CCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O 219959869 YCCJQVHLPJDRDY-NHCUHLMSSA-N 372.590 5.835 0 1 FKAF in-vitro CC1(C)CCn2nc(COc3ccccc3)cc2[C@H]1OCc1ccccc1 299834186 BMBVKAHOATXQPS-JOCHJYFZSA-N 362.473 5.150 0 1 FKAF CC(C)Oc1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586894724 BQHHFZYWHKGOPX-UHFFFAOYSA-N 358.441 5.176 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc12 587015192 FZEBDDQAYZTSAP-UHFFFAOYSA-N 374.296 6.277 0 1 FKAF COc1cncc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587047108 BOUVYEZNEYIVRT-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF Cc1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cc1C 587048318 SHWLNIQFMMOXRQ-UHFFFAOYSA-N 367.279 6.821 0 1 FKAF CC(C)Oc1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587050165 OXJVGXFLTYPFTI-OLZOCXBDSA-N 361.272 5.928 0 1 FKAF COc1cccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)c(Cl)c2)c1 587052227 LCNIXIHLVXMILS-UHFFFAOYSA-N 369.251 6.212 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc5c[nH]nc5c4)nc13)-c1ccccc1C2=O 587096236 ICOLHOJFAROSPS-UHFFFAOYSA-N 361.404 5.298 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(C)C)CC4)-c1ccccc1C2=O 587100303 FYZZSYUZSCTENU-INIZCTEOSA-N 355.481 5.906 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC[C@@H]4CC(C)C)-c1ccccc1C2=O 587101896 XAUQJOHBXWLGIW-MRXNPFEDSA-N 355.481 6.221 0 1 FKAF Nc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1Cl 587104622 VIKMHUCFQVBLIS-UHFFFAOYSA-N 356.812 5.349 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3c(C)ccc(C)c3[nH]2)c1 587159236 NSUBPJYYARFDSN-UHFFFAOYSA-N 360.432 5.585 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1Cl)O2 587379965 ZICOPJWWWBORKQ-QFIPXVFZSA-N 363.844 5.140 0 1 FKAF CCOc1cc(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C(C)C 587441193 JIHZPHWMGDNIGT-WZONZLPQSA-N 366.457 5.014 0 1 FKAF CCCCOc1cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)ccc1F 587466307 KSXIICCZIWFCDS-HXUWFJFHSA-N 372.436 5.369 0 1 FKAF CCCc1cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)ccc1OCC 587481805 SHLUTXRTQFYKRG-JOCHJYFZSA-N 368.473 5.402 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccccc3)c1)CC2=O 587490090 RMSSYSJZHBEQQO-RUZDIDTESA-N 372.464 5.892 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(C1CCC1)CC2=O 587490806 UZSSFUMXPRVMSS-QHCPKHFHSA-N 350.458 5.314 0 1 FKAF CC(C)[C@@]1(CCc2cccc(N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509611 HWRKLQGTAVWIML-XMMPIXPASA-N 363.501 5.140 0 1 FKAF Cc1nc(-c2ccccc2)[nH]c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526337 PJDCYFSVFPBNRV-DEOSSOPVSA-N 372.468 5.145 0 1 FKAF C[C@@]1(CCC2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604154 UPYYHPMQMYZEBM-UGKGYDQZSA-N 352.430 5.083 0 1 FKAF Cc1cc(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587704805 VUBIXAXGVBHISN-BMLIUANNSA-N 368.677 5.174 0 1 FKAF CSc1ccc(-c2csc(-c3ccccc3C(F)(F)F)n2)cc1 587924804 JYWQLYAXMYTEAC-UHFFFAOYSA-N 351.418 6.218 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(F)cc(Br)c2[nH]1 587953002 YWIVOTDLNQRDCH-HCKVZZMMSA-N 369.278 5.511 0 1 FKAF CCC[C@H](c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(C)C 587957065 ZJYZOXZIVLFMCW-SFHVURJKSA-N 366.461 5.682 0 1 FKAF Cc1ccc([C@@H]2[C@@H]3C(=NN2C)c2ccccc2O[C@H]3c2ccccc2)cc1 653884785 XXNJTPCDXLNPIE-QTJGBDASSA-N 354.453 5.136 0 1 FKAF CC(=O)c1cccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)c1 1772638880 DBUWDCHJIQMFHE-UHFFFAOYSA-N 371.362 5.417 0 1 FKAF CCN[C@@H]1CCCCc2ccc(OC)c(c2)Oc2cc(ccc2OC)CC1 1857585723 PJLVYLNYNYETHK-LJQANCHMSA-N 369.505 5.133 0 1 FKAF CCCCCC=CCC=CCC=CCC=CCC=CCCCCC(=O)O 2356313245 VENRYLMOFDSSDJ-UHFFFAOYSA-N 358.566 7.553 0 1 FKAF CC(=CCC[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C)CC[C@@H]3C(C)=CC[C@H]12)CO 2356483204 FCDTYKFKWUCPPD-BUFWWYJESA-N 356.594 6.840 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@]4(C)C5=C(CC[C@H]4[C@@]3(C)CC[C@H]12)COC5=O 2356796352 NDOOUOLTMVDOLY-YLVXLOBXSA-N 370.577 6.299 0 1 FKAF CC(C)Cc1ccc([C@H](C)C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 2382240916 FTSOZLRZUPIBAC-SFHVURJKSA-N 351.534 5.603 0 1 FKAF Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(S)[nH]2)c1Cl 586274 VNPWBZVNLSOFJE-UHFFFAOYSA-N 351.262 5.119 0 1 FKAF Clc1ccc([C@H]2C[C@@H](c3cccnc3)Nc3nc4ccccc4n32)cc1 2500023 HKFRJFBVFMBSLZ-AZUAARDMSA-N 360.848 5.231 0 1 FKAF CCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(O)cc1 13558565 NOPKPJCBQWSGMU-UHFFFAOYSA-N 372.420 5.960 0 1 FKAF CCN(CC)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21 13560898 FIJOQRLYVALYIU-JXFKEZNVSA-N 364.316 5.921 0 1 FKAF CCCCCc1ccc([C@H]2c3c(C)c(N)c(C)c(C)c3OC2(C)C)cc1 13652136 WXTTZVQWBUCLHC-NRFANRHFSA-N 351.534 6.230 0 1 FKAF Fc1ccc([C@@H](CCn2ccnc2)Oc2ccc(Cl)cc2Cl)cc1 28460199 QWLPIMDLAOWIDI-QGZVFWFLSA-N 365.235 5.539 0 1 FKAF CC(C)(C)c1cc[n+](CCCCCC[n+]2ccc(C(C)(C)C)cc2)cc1 38428068 MJOOYCYKVGRRID-UHFFFAOYSA-N 354.582 5.117 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C\c1ccccc1 40540358 QLLGIJVUFZVYAX-GYYHSDAWSA-N 374.524 5.693 0 1 FKAF O=C(c1ccccc1-c1ccc(F)cc1)N1CCc2c([nH]c3ccccc23)C1 40848744 DZLRTMJVDSMJFF-UHFFFAOYSA-N 370.427 5.173 0 1 FKAF CCCCOc1ccc(CNC(=O)Oc2cccc(C(F)(F)F)c2)cc1 45357809 ULJSSIFMAROIAL-UHFFFAOYSA-N 367.367 5.173 0 1 FKAF in-vivo COc1cccc(OC)c1C(=O)CCCCCCCCc1ccc(O)cc1 45505986 WUIAFOCKBCEKLG-UHFFFAOYSA-N 370.489 5.566 0 1 FKAF biogenic Cc1nc2ccc(-c3ccccc3)cn2c1C(=O)Nc1ccccc1Cl 49114974 WHMNCKBUNQISMC-UHFFFAOYSA-N 361.832 5.215 0 1 FKAF C=C[C@@H]1CSC(C[C@H](C)[C@H](C)C[C@@H](C)CCN(C)C(=O)[C@@H](C)CC)=N1 85955729 PHYRFZDJEDWWKT-QXCZDIPSSA-N 366.615 5.269 0 1 FKAF biogenic CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@@]21C 96914348 UPEQPWHQQHTDQF-OWRAIZPZSA-N 370.577 6.891 0 1 FKAF Fc1ccc(-c2nc3ccccn3c2-c2cccc(-c3ccccc3)c2)cc1 96927451 SHUCWOWARPASCH-UHFFFAOYSA-N 364.423 6.474 0 1 FKAF Fc1ccc(C(F)(F)F)cc1-c1csc(Nc2ccc(Cl)cc2)n1 103229187 HEFDBNMGXFKLJL-UHFFFAOYSA-N 372.774 6.365 0 1 FKAF Cc1nc(-c2ccccc2)sc1-c1ccn2nc(-c3ccccc3)cc2n1 140860632 RJLNEGDEKYRMQC-UHFFFAOYSA-N 368.465 5.495 0 1 FKAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)c1cc[n+]([O-])cc1-2 169347744 AXLWAEOWFSXFSS-CVEARBPZSA-N 369.505 5.640 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C\C(C)=C/C(=O)N[C@H](C)C(=O)O)C(C)(C)CCC1 169358524 JSNAKIATBRGNKG-SOKXVDGCSA-N 371.521 5.107 0 1 FKAF CC1=CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H]12 238733332 PJJFRVBMYOIECO-SDIJUFKJSA-N 368.517 5.011 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586886422 FZCJHISZSQYBJX-NBGIEHNGSA-N 364.448 5.165 0 1 FKAF CC1(C)COc2c(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cccc21 586910920 CYLNIEVZLAFHRO-UHFFFAOYSA-N 366.770 5.572 0 1 FKAF Cc1cc(C)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 586975047 JKBUZTWLFUUNJT-UHFFFAOYSA-N 370.077 5.916 0 1 FKAF Cc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1C 586976472 FTGRVPJPKADLLM-UHFFFAOYSA-N 365.658 5.175 0 1 FKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Cl)ncc4[nH]3)c2)cc1 587067910 UQPBFIBEAMCTKK-UHFFFAOYSA-N 370.239 5.091 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 587084376 LBRMTQNKEBJYEE-UHFFFAOYSA-N 372.177 5.363 0 1 FKAF O=C1c2ccccc2-c2cc(/C=C/c3ccccc3F)nc3cccc1c23 587102551 AGTQFIUWODGJAS-OUKQBFOZSA-N 351.380 5.756 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]3c1ccccc1F 587103571 KITCTPSJZMATGI-KRWDZBQOSA-N 351.380 5.273 0 1 FKAF Cn1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(C(F)(F)F)c1 587111267 CCJHIGGOCAMIMN-UHFFFAOYSA-N 365.302 5.199 0 1 FKAF COc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1C 587148341 BMNWOIRFPFAQSH-NRFANRHFSA-N 361.420 5.221 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](C1CCCCC1)CCC3 587206109 AMUBSROWUOIFND-KRWDZBQOSA-N 367.492 6.446 0 1 FKAF CCCC[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587479760 IYDNINMNNZACFL-QFIPXVFZSA-N 354.446 5.101 0 1 FKAF Cc1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547184 LCESTTNWTHXQPK-RXVVDRJESA-N 366.800 5.057 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587951005 HYKZEJYUECMIPF-NSHDSACASA-N 374.337 6.014 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C=C(OCC)OCC)C(F)(F)F 963244624 XBJPDKUDKIKRJO-BEFAXECRSA-N 371.443 5.015 0 1 FKAF Nc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1 5933000 LBLODFRAYZUCAC-UHFFFAOYSA-N 361.059 5.280 0 1 FKAF Cc1ccc(Cl)c(Nc2ccccc2-c2n[nH]c(=S)n2C)c1Cl 13828148 LGEIZLFUFYVGCB-UHFFFAOYSA-N 365.289 5.504 0 1 FKAF Cc1cc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccc(F)cc2)ccn1 26567413 APKKXGAJMPHCEP-UHFFFAOYSA-N 363.823 5.907 0 1 FKAF CCn1cc(-c2ccc(Cl)cc2)c([C@H](c2ccccc2)n2ccnc2)c1 28466222 JZPSHINULHRCBT-QFIPXVFZSA-N 361.876 5.663 0 1 FKAF Cc1ccc([C@H](c2ccccc2)N2CCC(O)(c3ccccc3)CC2)cc1 28708180 RKHFFYFBKRWGAL-DEOSSOPVSA-N 357.497 5.068 0 1 FKAF in-vivo Cc1[nH]c(=S)n(Nc2cc(Cl)ccc2Cl)c1-c1ccccc1 33493422 HQUIGEVVRLXSEC-UHFFFAOYSA-N 350.274 5.703 0 1 FKAF Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(=O)[C@H]2C 35900222 PDCRQOSNBYFZJI-LBPRGKRZSA-N 352.865 5.673 0 1 FKAF CCC[C@H](C)C(=O)c1c(O)cc(O)c(C/C=C(\C)CCC=C(C)C)c1O 38620321 JSFWEFKQXMCUON-SFKKXYGYSA-N 360.494 5.658 0 1 FKAF O=C(CCCCCCc1ccccc1)c1nnc(-c2cccs2)s1 40828825 ICFIUDKEUZBEIA-UHFFFAOYSA-N 356.516 5.643 0 1 FKAF COc1ccc(C[C@@H](Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 40950686 SDAWROHZJFECJP-XMMPIXPASA-N 368.480 5.585 0 1 FKAF CCCCCC[C@H](CC)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2 45209905 IHKLPAGNBNXUTL-INIZCTEOSA-N 353.506 6.546 0 1 FKAF CCCC[C@H]1CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1N 139146448 OTPNVPYDTCYPTA-XHDPSFHLSA-N 368.365 5.068 0 1 FKAF Oc1c(Br)cc(/C=C/c2ccccc2F)cc1Br 139357155 QIPKQSWBNPLASD-AATRIKPKSA-N 372.031 5.227 0 1 FKAF Cc1ccc(-c2cc([C@H](O)CN3CCCCC3)c3cc(C)ccc3n2)cc1 169334792 YUKLPKIPEYYYGZ-XMMPIXPASA-N 360.501 5.038 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1ccccc1O 238771653 BYPHBUWSWHXTDK-HWIYRCFISA-N 366.589 8.080 0 1 FKAF CSc1cccc(N=c2[nH]c(-c3ccc(F)c(Cl)c3)cs2)c1 473086382 HMFDILBNGBDIKF-UHFFFAOYSA-N 350.871 5.490 0 1 FKAF Cc1ccc(-c2cnccc2-c2cnc(NC(=O)C(C)C)s2)c(Cl)c1 473117352 YTTBQAOPTOOIMN-UHFFFAOYSA-N 371.893 5.428 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cccc(OC(F)(F)F)c2[nH]1 586878561 JVVCLACKXYDMMW-UHFFFAOYSA-N 368.358 6.104 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc(Cl)cs3)nc3ccc(O)c1c23 586994446 SKCUCWSLMKDTSU-UHFFFAOYSA-N 363.825 5.534 0 1 FKAF Fc1ccc2[nH]cc(Cc3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2c1 587175554 VMSFGZOWEUJRLV-UHFFFAOYSA-N 367.733 5.446 0 1 FKAF CCCCCC[C@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587405448 WWVRXKMHNBYEEA-JOCHJYFZSA-N 353.462 5.114 0 1 FKAF CC[C@@H](C)Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl 587420367 IGOCHRXFTLAARG-OGXQQIFESA-N 372.848 5.015 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(C1CC1)CC2=O 587458804 BVDQDXKAOHMXBP-OAQYLSRUSA-N 356.849 5.269 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(C)C)CC2=O 587486287 ZHJVKJZGYITOOH-NRFANRHFSA-N 354.446 5.086 0 1 FKAF O=C1C[C@@H](c2cccc(CCC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587503876 ZSAPHUBYZSTJHR-FQEVSTJZSA-N 374.402 5.767 0 1 FKAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587504936 JPJZPYDHSMTIKM-OAQYLSRUSA-N 356.849 5.108 0 1 FKAF CCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CC 587520433 BJLFBIXTQXLFOL-HSZRJFAPSA-N 364.485 5.623 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(F)c1 587855658 OVVBYBHSFKWUBP-UHFFFAOYSA-N 351.208 5.384 0 1 FKAF COc1cccc(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587931282 NONODKSXSNZMQN-UHFFFAOYSA-N 371.465 5.439 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(OC(C)C)cc4[nH]3)c2)c1 587932441 FKKDYAFIMLMQJW-UHFFFAOYSA-N 374.440 5.398 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587952123 LZAMOAHPTJZGQH-NRJQMVOHSA-N 364.489 6.402 0 1 FKAF c1ccc(C[C@@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587955218 IKDOJNLJENQVKI-IBGZPJMESA-N 370.452 5.099 0 1 FKAF COc1ccc(Cl)c(-c2cccc(NC(=O)c3c(F)cccc3F)c2)c1 1857755641 ALDHCKRHWZTKGH-UHFFFAOYSA-N 373.786 5.546 0 1 FKAF CC(C)=CCCC(C)=CCOc1ccc2oc(=O)c(-c3ccccc3)cc2c1 2356283797 BMZLDYNVAUPAOI-UHFFFAOYSA-N 374.480 6.532 0 1 FKAF Cc1ccc(C=C(Oc2cccc(C)c2)c2nc3ccccc3s2)cc1 2356405988 JXQXBLKDUYAUKJ-UHFFFAOYSA-N 357.478 6.490 0 1 FKAF CC(C)=CCc1c(O)cc2c(c1C=Cc1ccccc1)C[C@H](C(C)(C)O)O2 2356483226 FSSUIGNVZSBFPI-HSZRJFAPSA-N 364.485 5.146 0 1 FKAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@]12C 2356494627 KGXLWYQCBAUILI-CRCBOYBHSA-N 372.549 5.491 0 1 FKAF 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]3C=C[C@@]21C 2356861213 UGOMTIBMXXAAHQ-AOUCNHLBSA-N 372.549 5.059 0 1 FKAF O=C(Nc1cc(-c2ccccc2)sc1C(=O)O)c1cccc(Cl)c1 6808150 FRXRTMGQCCVCGL-UHFFFAOYSA-N 357.818 5.019 0 1 FKAF COc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC(C)C)c1Cl 26017742 XPEBJEXTTZHTJH-UHFFFAOYSA-N 353.460 5.011 0 1 FKAF CCCN(CCC)[C@@H]1CCc2cc(CCc3ccc(OC)cc3)ccc2C1 27331117 OUVWNMTXUYBAHT-XMMPIXPASA-N 365.561 5.460 0 1 FKAF O=C(Nc1ncc(Cl)s1)N(CC1CCCC1)c1ccc(F)c(F)c1 28123006 ZVEWMYGYQFMHRC-UHFFFAOYSA-N 371.840 5.303 0 1 FKAF C[C@H]1[C@H]2Cc3ccc(Br)cc3[C@]1(C)CCN2Cc1ccccc1 36126838 RFIKUGPYXNCFAU-IWMITWMQSA-N 370.334 5.174 0 1 FKAF CC(C)C[C@@H](O)c1nnc(Nc2cccc(Oc3ccccc3)c2)s1 82078321 XGVCZSLABAUDBS-QGZVFWFLSA-N 355.463 5.154 0 1 FKAF Nc1ccnc(Nc2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)n1 84602604 MAXWCQZEDUBJNU-UHFFFAOYSA-N 354.413 5.262 0 1 FKAF O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(F)cc2)cc1 84709785 GAELQDGHBZTWFP-UHFFFAOYSA-N 350.389 5.089 0 1 FKAF Cc1ccc2c(Sc3cc(Cl)cc(Cl)c3)c(C(=O)O)[nH]c2c1 95583781 ZFDYJSAPGBAVRK-UHFFFAOYSA-N 352.242 5.633 0 1 FKAF Cc1ccc2c3c(ccc2n1)N=C1CCCC(O)=C1[C@H]3c1ccc(O)cc1 104049045 IJRCRMHKCIHIPX-NRFANRHFSA-N 356.425 5.463 0 1 FKAF CN(C)c1ccc([C@H](C[C@@H](N=O)c2ccc(F)cc2)c2ccccc2)cc1 169730265 VKAHDPXFBMNEJM-DHIUTWEWSA-N 362.448 5.921 0 1 FKAF Cc1ccc(C(C)C)c(OCCn2c(=S)[nH]c3c(Cl)cccc32)c1 205424275 CFNULSLUYRKPFQ-UHFFFAOYSA-N 360.910 5.863 0 1 FKAF COc1cc(F)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586996157 PURVCHRMVJKPPF-UHFFFAOYSA-N 369.395 5.569 0 1 FKAF Fc1c(Cl)cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1F 587050038 OCVGGBSRUQSZGN-RQJHMYQMSA-N 373.617 6.072 0 1 FKAF COc1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)c(F)c2)c(F)c1 587152307 LOHANIZXSGVTBR-UHFFFAOYSA-N 354.331 5.323 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(C(C)=O)cc4[nH]3)c2)c1 587160143 IWFOFTIKDANASW-UHFFFAOYSA-N 360.388 5.247 0 1 FKAF CC/C=C\CC1=C(C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587207151 INEDAUHNVRDMCR-PLNGDYQASA-N 351.449 6.132 0 1 FKAF Clc1ccc(Cc2cc3c4c(cccc4n2)CC3)c(Br)c1 587207600 HAPQWZQDNNFQDD-UHFFFAOYSA-N 358.666 5.340 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(/C=C/c3ccccc3)cc1)O2 587406450 RBTUGHOZYHMYIM-NDEDVSTASA-N 355.437 5.454 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c(F)cccc13)CC2=O 587470743 HUITTXRGVZLMSH-OAQYLSRUSA-N 350.389 5.344 0 1 FKAF O=C1C[C@@H](c2cc(Cl)cc3cccnc23)Oc2c1ccc1c2CCCC1 587499756 MSPHSGKVQSONKO-FQEVSTJZSA-N 363.844 5.474 0 1 FKAF O=C1CC2(Oc3c1ccc1c3CCCC1)c1ccsc1-c1sccc12 587534565 CKLHXKJPMCDTJJ-UHFFFAOYSA-N 364.491 5.578 0 1 FKAF CCc1c(-c2cn(CC(=O)O)c3ccccc23)[nH]c2ccc([C@@H](C)CC)cc12 587644075 ZPVBCNZWBBNEHS-HNNXBMFYSA-N 374.484 5.950 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C)c2ccc(F)cc2)N1 587730394 FSCFVKURWDLTCW-PJYBLOJUSA-N 366.249 5.106 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccccc2F)N1 587731755 ZLOXLLRFCMWYBA-WFYHTSBQSA-N 364.233 5.016 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](c3ccccc3)C2)N1 587818627 RNUGGPBVPTWSHW-GQWAEJPESA-N 374.297 5.285 0 1 FKAF CCCC[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587818887 GEWBIGIUHPYECB-RVZJWNSFSA-N 354.307 5.308 0 1 FKAF Clc1cccc(Cl)c1-c1ccn2c(C3CCCCCC3)nnc2c1 1772653080 ZWACCKUOIPVNOI-UHFFFAOYSA-N 360.288 6.141 0 1 FKAF CCO[C@]1(C)C[C@@]23CC[C@@H]4[C@](C)(COC(C)=O)CCC[C@@]4(C)[C@@H]2C=C[C@H]1C3 2356485670 OWUYFGXZDKBJRR-XCDBGYOESA-N 374.565 5.534 0 1 FKAF CCCC=Cc1oc(CCCCCCCCCCC(=O)OC)c(C)c1C 2356638489 GBDWNURZDWSWEU-UHFFFAOYSA-N 362.554 6.936 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@@H]3CC(=O)[C@@]4(C)c5cocc5CC[C@H]4[C@@]3(C)CC[C@H]12 2356795509 MDCITCVMDVUGER-TWSSVTPJSA-N 368.561 6.321 0 1 FKAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccc(C(F)F)cc3)nc2c1 2382216792 HRQWQMCAWNQXIX-XMMPIXPASA-N 351.289 5.002 0 1 FKAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCCC 4214412 DNEGBMLOBWBZNQ-SFTDATJTSA-N 374.525 5.016 0 1 FKAF CCCN(CCC)c1cc(CC)nc2c(-c3ccc(Cl)cc3)c(C)nn12 27189494 PSRSOPBXSWOKOB-UHFFFAOYSA-N 370.928 5.547 0 1 FKAF Cc1ccc([C@@H](c2ccccc2)N2CCC(O)(c3ccccc3)CC2)cc1 28708182 RKHFFYFBKRWGAL-XMMPIXPASA-N 357.497 5.068 0 1 FKAF in-vivo Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccncc2c1C(=O)O 29328599 ZMZUPRRUKVXOSK-UHFFFAOYSA-N 358.372 5.110 0 1 FKAF COc1ccc(Nc2cc(-c3ccccc3)nc3ccc4[nH]cnc4c23)cc1 39214842 HEZREVAVFQYGRE-UHFFFAOYSA-N 366.424 5.530 0 1 FKAF O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(-c3ccccc3)ccc12 61942600 DBPORHOBQZRQDR-XUZZJYLKSA-N 369.464 5.925 0 1 FKAF Clc1cccc(CNc2cc(Oc3cccc4cccnc34)ncn2)c1 82067858 FMHWQTSYRPWSGO-UHFFFAOYSA-N 362.820 5.083 0 1 FKAF Cc1cc([C@@H]2[C@@H]3CC[C@@H](C[C@@H]2c2ccc(Cl)c(Cl)c2)S3)on1 101388919 JHGFPQGHZNDWJN-HJSHSUPBSA-N 354.302 5.825 0 1 FKAF CCC[C@H](C(=O)Nc1ccc(-c2ccnc(C)c2)cc1)c1cccc(C)c1 103273515 QDOQHWPLAMELGL-QHCPKHFHSA-N 358.485 5.888 0 1 FKAF Cc1cncc(C2=CC[C@H]3[C@@H]4C[C@@H](O)[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)c1 141006341 COMPHWCPGLBRDR-LECAHFCESA-N 365.561 5.787 0 1 FKAF COc1ccc(-c2nc3ccccc3n2C(=O)/C=C/c2ccccc2)cc1 221078205 QSEFYNFGJSPLOZ-LFIBNONCSA-N 354.409 5.066 0 1 FKAF CC(=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@](C)(C(=O)O)[C@H]1CC3 238762144 KVWCRPCDFBQMJT-CCXJQQPNSA-N 358.522 5.389 0 1 FKAF COc1ccccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2s1 299858711 GROHRMFBORBVQD-CQSZACIVSA-N 361.470 5.540 0 1 FKAF COC(=O)c1cc(Cl)c2[nH]c(-c3c(C)ccc4ccccc34)nc2c1 586882803 AMDAOTDIXCHYOQ-UHFFFAOYSA-N 350.805 5.132 0 1 FKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cnccc2[nH]1 586981391 BASRNVLXOMIFFX-AWEZNQCLSA-N 358.283 5.093 0 1 FKAF CNc1ccccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586996205 NHRUUBKTALTUIA-UHFFFAOYSA-N 350.421 5.463 0 1 FKAF FC(F)(F)Oc1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 587079942 IWVNYACYGAUZQJ-UHFFFAOYSA-N 365.742 5.118 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(C)(C)C)C4)-c1ccccc1C2=O 587100298 FOVQSQGWVWGVDX-OAHLLOKOSA-N 355.481 5.906 0 1 FKAF Cc1cc(Br)c(-c2nc3cccc(C(C)(C)C)c3[nH]2)cc1F 587138167 YORCPLWOVOTAHD-UHFFFAOYSA-N 361.258 5.737 0 1 FKAF Cc1cnc(Cl)c2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc12 587150440 PYEDWKAKEPRFRJ-QGZVFWFLSA-N 366.827 5.260 0 1 FKAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)cc1 587245414 YBJWXDGGPINRMW-UHFFFAOYSA-N 365.795 5.275 0 1 FKAF COc1ccc2c(c1)[C@@H](C)[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587524305 LUULNNWHKCFICW-OYLFLEFRSA-N 362.469 5.028 0 1 FKAF O=C1C[C@](/C=C2/CCCO2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587530551 DKEQOSRKURZFOY-JQCGEVGXSA-N 360.453 5.120 0 1 FKAF CC(C)C[C@H](C)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602498 YENRSYINXCOPNJ-OHEPNIRZSA-N 354.446 5.185 0 1 FKAF CC(C)=CCC/C(C)=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587818269 HHZCXDABKLDEJA-QCEQKQNKSA-N 366.318 5.856 0 1 FKAF Cc1ccc(/C=C/[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587819149 LMGDWVGJDCLFFE-JQGIQBBYSA-N 360.270 5.185 0 1 FKAF CCCC/C=C/c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 587965375 KVYPUGAXFPHXMC-VOTSOKGWSA-N 374.444 5.492 0 1 FKAF C(=C/c1cccc2ccccc12)\c1nc2ccc(Oc3ccccc3)cc2[nH]1 587966296 BDTGOOTXAKMDCA-DTQAZKPQSA-N 362.432 6.679 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccccc2)(C2CCCCC2)N1 962957261 OFSVCTVCLJZEDB-QFQXNSOFSA-N 372.556 6.111 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2csc(-c3cccs3)n2)N1 962961645 XVQAGVGAHRXCAU-BUXKBTBVSA-N 365.527 5.367 0 1 FKAF Cc1cc(C)cc([C@]2(CCc3ccccc3)NCCc3c(C)ccnc32)c1 963070198 FNEMYJOIRGWQNS-VWLOTQADSA-N 356.513 5.029 0 1 FKAF Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)c(C)c1C 1857607886 VRXZOVNGCAGAOD-UHFFFAOYSA-N 370.412 5.255 0 1 FKAF CC[C@@]12C=C(C=Cc3ccccc3)[C@@](CC)(C1)[C@@H](c1ccccc1)CC2=O 1857622756 NLQQTNRSVHYIMW-LGPLSSKUSA-N 356.509 6.579 0 1 FKAF C[C@]12CC[C@@H]3c4cc(-c5cccc(N)c5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O 1857763222 VWCWPNBMROZCRX-QNJCZANYSA-N 361.485 5.067 0 1 FKAF CC1=CCC[C@]2(C)CC[C@H](C(C)C)[C@H](OC(=O)C=Cc3ccccc3)[C@H]12 2356391009 HWWJRNPFZYGYNM-AYVPJYCDSA-N 352.518 6.040 0 1 FKAF CC(C)=CCC=C(C)[C@H]1CC=C(CO)CCC=C(C)CCC=C(C)CC1 2356632772 SCIBCHJAENBOSA-RUZDIDTESA-N 356.594 7.461 0 1 FKAF COc1ccc(C(=O)Nc2nc(-c3ccccc3)cc3ccccc23)cc1 13672131 MJZBWCOZBVDNSM-UHFFFAOYSA-N 354.409 5.163 0 1 FKAF in-vivo CN(c1ccc(Cl)cc1)c1nnc(Cc2ccncc2)c2ccccc12 13808823 OZGCCTRTFRHDJM-UHFFFAOYSA-N 360.848 5.037 0 1 FKAF Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccno2)cc1 28890496 QZLAPVUPBMRWOK-UHFFFAOYSA-N 362.408 5.150 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4ccc(F)cc4c(C(=O)O)c3C)cc2)cc1 29332790 RSYZGCBTUPDMON-UHFFFAOYSA-N 371.411 6.023 0 1 FKAF CC(C)(C)c1cc(-c2nc3cc(C(=N)N)ccc3o2)c(O)c(C(C)(C)C)c1 29335879 VGGHSVWNFCSJFC-UHFFFAOYSA-N 365.477 5.079 0 1 FKAF CCC[C@]1(C(=O)O)CCCc2c1[nH]c1c(Cl)ccc(C(F)(F)F)c21 35966462 UJIFIPSJPHVBSG-INIZCTEOSA-N 359.775 5.299 0 1 FKAF CC(C)CSc1cc(CCc2ccccc2)nc(SCC(C)C)n1 40431205 ODXGNIIUHOQBRI-UHFFFAOYSA-N 360.592 5.758 0 1 FKAF Cc1cccc(-c2nc(NC3CCCCC3)ncc2-c2nc(C)c(C)o2)c1 82167441 XKOVAPOMHUJMDQ-UHFFFAOYSA-N 362.477 5.468 0 1 FKAF CN(c1ccc(CCC(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 95581083 GACLMRVOBYYXKK-UHFFFAOYSA-N 365.517 5.821 0 1 FKAF CCCCCc1cc2ccccc2nc1-c1cc(-c2ccc(C)cc2)no1 103251895 FUPOYMCVSOQDQU-UHFFFAOYSA-N 356.469 6.598 0 1 FKAF CCCc1nccc2c(Nc3ccc(F)c(C(F)(F)F)c3)c(N)oc12 222993612 NCDWXIQRAXAGRM-UHFFFAOYSA-N 353.319 5.264 0 1 FKAF COC(=O)C[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(OC)c(O)c12 238763867 PEMXBDYXGOJWNI-GAJHUEQPSA-N 374.521 5.098 0 1 FKAF CC(C)CCNCCCn1c2ccc(Cl)cc2c2cc(Cl)ccc21 473135948 LODXVZRGHCZYRD-UHFFFAOYSA-N 363.332 6.127 0 1 FKAF COc1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Cl 586897125 YAVHWIVAXQIHOF-UHFFFAOYSA-N 350.805 5.265 0 1 FKAF CCCC(Br)(CCC)c1nc2ccc(C(C)(C)C)cc2[nH]1 586970128 AFILRAXSSRXFGN-UHFFFAOYSA-N 351.332 6.051 0 1 FKAF Cc1cc(F)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 587047065 AHOQLKUYJJPANA-UHFFFAOYSA-N 371.242 6.651 0 1 FKAF Fc1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 587071150 KCIZRAVOOLJREK-UHFFFAOYSA-N 358.203 5.738 0 1 FKAF CC(=O)Oc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587105802 AHXHZHKLJKZGON-UHFFFAOYSA-N 365.388 5.039 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4ccc(Cl)nc4[nH]3)c(Cl)c2)cc1F 587146051 XEAOLXDOCUBODL-UHFFFAOYSA-N 372.230 6.046 0 1 FKAF COc1cccc(-c2c(C)c(CC(=O)C3CC3)nc3c2oc2ccccc23)c1 587366539 VIQFOAYTDZMMFU-UHFFFAOYSA-N 371.436 5.487 0 1 FKAF CCCCOc1ccccc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587476809 AZCPGZZMXKHZKU-NRFANRHFSA-N 354.446 5.230 0 1 FKAF CCOc1cccc2[nH]cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 587527044 SUGBWZCLUCGGEM-OAQYLSRUSA-N 361.441 5.152 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(Cn3ccnc3)c2c1 587640486 AQHHALRJWXNBBL-INIZCTEOSA-N 359.473 5.602 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc(OC)c(F)cc4[nH]3)ccc2c1 587935776 VNZWSCPZONXVQH-GFCCVEGCSA-N 350.393 5.024 0 1 FKAF Cc1cc(C)c(/C=C2\C(=O)Nc3cccc(-c4ccc5cc[nH]c5c4)c32)[nH]1 653685026 KPRRTRVKYUKPFS-PDGQHHTCSA-N 353.425 5.273 0 1 FKAF CCCCC[C@]1(c2ccnc(Cl)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963116271 WFCZBHHZZBUCLY-UGKGYDQZSA-N 372.915 5.719 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cccc(OC)c1O[C@H](C)CC 963226816 HYCJODRSDZBAAT-PMAPCBKXSA-N 367.533 5.619 0 1 FKAF COc1cccc2[nH]ccc(=Nc3cc(-c4cc(C)ccc4F)ncc3C)c12 1772627841 MOBCQHUFIHUOCB-UHFFFAOYSA-N 373.431 5.227 0 1 FKAF CC(C)=CCC[C@](C)(NCc1cccc2ccccc12)[C@H]1CC=C(C)CC1 1772644088 OCQUVSKATSNVGW-AHWVRZQESA-N 361.573 7.181 0 1 FKAF CCN=c1nc(-c2sc(-c3ccc(-c4ccccc4)cc3)nc2C)cc[nH]1 1857647506 VWHDDXDCAHQPOP-UHFFFAOYSA-N 372.497 5.096 0 1 FKAF COc1ccc(Cl)c(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c1 1857761201 LLVFOVCSESRTGB-UHFFFAOYSA-N 373.786 5.546 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C)CCC[C@](C)(O)[C@H]2[C@H]1OC(=O)C=Cc1ccccc1 2356451256 YPCMOCVARABHRT-DUSBTPNUSA-N 370.533 5.235 0 1 FKAF CC(=CCO)CCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 2356690272 QVAALZYWZYXTTP-XZOQPEGZSA-N 364.658 8.091 0 1 FKAF Cc1cc2nc(-c3ccco3)c(CC(C)(C)C)n2c(C)c1Br 72136854 ZZNDYRWNAKNEKT-UHFFFAOYSA-N 361.283 5.562 0 3 FKAF COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccc(Cl)cc12 1618649 HPNOHKRDTXAADW-UHFFFAOYSA-N 367.619 5.044 0 1 FKAF Cc1ccc(NC(=O)N(CCC(C)C)C2CCN(C(C)C)CC2)cc1C 2933466 MQSBFHYEBLILMB-UHFFFAOYSA-N 359.558 5.056 0 1 FKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2n3c(nc4ccccc43)CCC[C@]12C 5834667 DJCDFKDZUBBRSO-JDKSZYQJSA-N 352.566 6.792 0 1 FKAF O=C1C[C@@H](c2ccccc2)c2c(ccc3cc(-c4cccnc4)ccc23)O1 29135483 RNOMZCUPDKQARF-NRFANRHFSA-N 351.405 5.343 0 1 FKAF c1ccc2nc(CCCCN3CCc4c([nH]c5ccccc45)C3)ccc2c1 34602038 WKXZOEAHOWJCTL-UHFFFAOYSA-N 355.485 5.097 0 1 FKAF CC[C@H](c1ccc(O)c(C(C)=O)c1)[C@H](CC)c1ccc(O)c(C(C)=O)c1 40641105 MVIKFXGQAYNGMW-QZTJIDSGSA-N 354.446 5.190 0 1 FKAF Cc1ccc(O[C@@H](CCCCn2ccnc2)c2ccc(Cl)cc2)cc1 40834568 BHLFIQPEMVZLPO-NRFANRHFSA-N 354.881 5.836 0 1 FKAF CCCNc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C 45369970 UOEATLUIIQSISZ-UHFFFAOYSA-N 363.505 5.590 0 1 FKAF CCCCC[C@H](O)/C=C/CCCCCCCc1cccc(O)c1C(=O)O 72172065 VHQRJUBBALXICA-SKTWIKFTSA-N 362.510 5.471 0 1 FKAF FC(F)(F)c1ccccc1-c1ccc2nc(/C=C/C3CCNCC3)[nH]c2c1 73334889 WHYYZOGDELGOOB-VMPITWQZSA-N 371.406 5.262 0 1 FKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@@H]1c1ccccc1F 84759426 VZQHTDNWUVVVSZ-IBGZPJMESA-N 352.434 5.067 0 1 FKAF CC(C)c1c(O[C@@H]2CCCC[C@H]2C)cc(Cc2ccc(Cl)cc2)[nH]c1=O 95587660 BPUZMPXCUWYQIB-DNVCBOLYSA-N 373.924 5.700 0 1 FKAF Nc1nccn2c(C3CCC3)nc(-c3cccc(Oc4ccccc4)c3)c12 96168336 BDMNVTGOYKGAGH-UHFFFAOYSA-N 356.429 5.038 0 1 FKAF ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H]([C@H]4CC[C@@H]3C4)[C@@]1(Cl)C2(Cl)Cl 103282640 HNSZJJAOLVQMQU-DIFDVCDBSA-N 366.930 5.494 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(N[C@H](C)c2ccccc2)nn1 103293808 XZHMWVJKPWPUEI-CQSZACIVSA-N 357.379 5.644 0 1 FKAF Cc1cc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)ccc1Br 586976331 IGRLWRBNAJZYLP-UHFFFAOYSA-N 371.612 5.156 0 1 FKAF O=C1c2ccccc2-c2cc(CCc3ccccc3F)nc3ccc(O)c1c23 586988251 HQMSMNQBTQTJCA-UHFFFAOYSA-N 369.395 5.076 0 1 FKAF Cc1ccc(-c2nc(-c3nc4ccc(OC(C)C)cc4[nH]3)c(C)s2)cc1 587013228 PLTWIVNPRVWXAZ-UHFFFAOYSA-N 363.486 5.757 0 1 FKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc3ccccc3cc2[nH]1 587067168 WNTWBLPICGAUCE-UHFFFAOYSA-N 357.844 6.136 0 1 FKAF Cc1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587071647 MGBNPXWQZHRUQR-YFJCXSBHSA-N 371.311 6.544 0 1 FKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ccnc(Cl)c3[nH]2)c1 587094028 ZXBXZCLOIAZUPA-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF CO[C@H](c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107214 QSXJWEOBFKNTAY-XMMPIXPASA-N 351.405 5.182 0 1 FKAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587148803 AAPINIKZPHAJHI-ZETCQYMHSA-N 360.257 5.139 0 1 FKAF Fc1ccc(/C=C/c2nc3cc(Br)c(F)c(F)c3[nH]2)c(F)c1 587151329 YMYUULFMTIJJHV-DUXPYHPUSA-N 371.131 5.052 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587169907 FPDUENKWLGFBSJ-MRVPVSSYSA-N 356.253 5.300 0 1 FKAF Cc1c(Cl)ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587192939 LRCHETQGRFPAML-UHFFFAOYSA-N 361.876 5.732 0 1 FKAF Oc1nc2ccccc2c(-c2ccccc2)c1-c1cc2c3c(cccc3n1)CC2 587213663 YSDCAWLNFOLTAM-UHFFFAOYSA-N 374.443 5.921 0 1 FKAF Cc1cc(Cl)cc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c12 587241806 JWQTZYDOQNISTB-UHFFFAOYSA-N 355.869 5.566 0 1 FKAF COC(=O)Nc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 587244157 XNWXDRJKMGXPDF-UHFFFAOYSA-N 369.730 5.080 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C)C[C@@H]3C)c1 587367819 XFFZCTJXKWMVAW-GJZGRUSLSA-N 357.453 6.342 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc4cccnc34)o1)O2 587394200 DKYVASSMUMFYNM-NRFANRHFSA-N 370.408 5.092 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cc(Cl)ncc3c1)CC2=O 587462361 PUYFOPXLRLFXMS-LJQANCHMSA-N 367.832 5.253 0 1 FKAF CC1(C)O[C@@H](c2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587530534 CWRKMWXKIPPUFQ-ZJSXRUAMSA-N 362.469 5.210 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2F)N1 587726420 XHZXILDPHQLSJJ-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H]2C[C@H]3CC[C@H]2C3)N1 587816658 ZOTFBJOAVLLAKV-GZXOXEMDSA-N 366.318 5.164 0 1 FKAF CC[C@]1(C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587818590 IXXNWWJSLMIWFT-KPZWWZAWSA-N 354.307 5.308 0 1 FKAF Cc1cc2[nH]c([C@H](O)CC(C)C)c(CCc3ccccc3)c2cc1C(=O)O 1772587283 HTGKFNAWKNBAOS-OAQYLSRUSA-N 365.473 5.039 0 1 FKAF CCCCCCSc1cc(Cl)c(C(=O)CC[N@@]2C[C@H]2C)c(Cl)c1 1857742107 ITMOHGDZMKMQRY-ASSNKEHSSA-N 374.377 5.943 0 1 FKAF O=C(O)c1ccccc1C1c2ccc(Cl)cc2Oc2cc(Cl)ccc21 5813212 DTERUGRHJMFTNE-UHFFFAOYSA-N 371.219 5.978 0 1 FKAF Cc1cccc(Nc2nc(-c3ccc(-c4ccccn4)s3)cs2)n1 13141379 SLWMQVRILVKWRB-UHFFFAOYSA-N 350.472 5.381 0 1 FKAF CNCC[C@@H](Oc1cccc2ccccc12)c1ccc(Br)cc1 13588062 TVGWXQAGBGCBIQ-LJQANCHMSA-N 370.290 5.332 0 1 FKAF O=C(O)CCCc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1 13679796 DNRKKMCOOXTITC-UHFFFAOYSA-N 360.409 5.117 0 1 FKAF Clc1ccc(-c2cc([C@H]3CCCN(Cc4ccccc4)C3)[nH]n2)cc1 13763845 RKWDQZZKDQAENU-SFHVURJKSA-N 351.881 5.110 0 1 FKAF Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(-c3ccccc3)c2n1 13835031 PPKZTMXAHLPCAK-UHFFFAOYSA-N 368.484 5.591 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)c3cc(CCC(=O)O)ncc3CC[C@@H]12 14650166 QBCQXEYQSRWFAF-WNXIRNOKSA-N 369.549 5.545 0 1 FKAF biogenic CC(C)(C)c1ccc(-c2ccc(-c3cc(C(N)=O)cc(C(=O)O)c3)cc2)cc1 14960631 PVVBEDAOEJVXBQ-UHFFFAOYSA-N 373.452 5.115 0 1 FKAF CN(C(=O)c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 26278821 YXHAJRKYSHQMAT-UHFFFAOYSA-N 365.473 5.010 0 1 FKAF CC(C)COC(=O)[C@@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27556253 VWCLCSNGYMXSLD-UAGQMJEPSA-N 360.519 5.084 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)OC/C=C(\C)CCC=C(C)C 27998984 HAUAFWLDEOQOCI-HQEXXCOVSA-N 372.593 7.642 0 1 FKAF CC(C)(CCCCCCC(=O)CCCCCCC(C)(C)C(=O)O)C(=O)O 28461532 ZOQLBGJXJDQUHB-UHFFFAOYSA-N 370.530 5.458 0 1 FKAF CC(C)(C)c1ccc(NCc2ccccc2Cn2ccc3cnccc32)cc1 28571038 WZDUBILKUFPABF-UHFFFAOYSA-N 369.512 5.994 0 1 FKAF CC(=O)Oc1ccc(O)cc1C[C@]1(C)[C@@H](C)CC[C@]2(C)C(C)=CCC[C@H]21 40413528 WUPXFGNCTYEWMM-RAKGIWIYSA-N 356.506 5.659 0 1 FKAF CN(/C=C1\C(=O)N(c2cccc(Cl)c2)c2ccccc21)Cc1ccccc1 40496743 DZCULTSUVCZHKB-PGMHBOJBSA-N 374.871 5.491 0 1 FKAF CC(C)COC(=O)[C@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40499109 VWCLCSNGYMXSLD-PVAVHDDUSA-N 360.519 5.084 0 1 FKAF C[C@H]1CCc2nc3nc(-c4ccccc4)cc(C(F)(F)F)c3c(N)c2C1 103168672 QTICPRZEJAZQKT-NSHDSACASA-N 357.379 5.023 0 1 FKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 167005702 XLBCIYVTEDMONF-UHFFFAOYSA-N 354.331 6.041 0 1 FKAF CN(C)CCCN1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 169331290 QPYNETAIAKXHTF-JIZIIQPCSA-N 373.544 5.235 0 1 FKAF CC/C=C(\C)C[C@@H](C)C(=O)[C@@H](C)C1=C(C)[C@H]2O[C@@](CC)(O1)C(C)=C[C@@H]2C 196512484 NXFSSBOUIVVCNL-DKHZTACASA-N 360.538 5.966 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)o1 586902140 ANXIJGBTNGQECG-UHFFFAOYSA-N 353.219 5.561 0 1 FKAF c1ccc(Sc2ccc3nc([C@@H]4COc5ccccc5O4)[nH]c3c2)cc1 586918420 MDOAZLRBLKIWER-FQEVSTJZSA-N 360.438 5.227 0 1 FKAF CSCC(C)(C)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 586968387 CQKLSUSOYQJWMG-UHFFFAOYSA-N 371.344 5.001 0 1 FKAF Cc1cc(N)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586997439 RPPBCJSIJQTYJS-UHFFFAOYSA-N 350.421 5.312 0 1 FKAF Cc1ccc(O)c2c1Cc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101770 PYZOXCMFKDBPIY-UHFFFAOYSA-N 363.416 5.340 0 1 FKAF Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(Cl)c1 587104625 VPNQHNLRHSRGMR-UHFFFAOYSA-N 356.812 5.349 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(C)ccc(C)c3[nH]2)c1 587238353 HDAKHPVYWQQTHQ-UHFFFAOYSA-N 356.473 5.789 0 1 FKAF COc1cccc(-c2c(CCC[C@H](C)O)cnc3c2oc2ccccc23)c1 587367139 TZPMIGQBTSYJNB-HNNXBMFYSA-N 361.441 5.360 0 1 FKAF O=C1C[C@@H](c2c(O)cc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587500219 YYQRZQQQAUYGBO-KRWDZBQOSA-N 363.240 5.284 0 1 FKAF C[C@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502671 FXRKTIQJHFUKKZ-OAQYLSRUSA-N 358.384 5.047 0 1 FKAF Cn1c2c(c3ccccc31)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587514541 GVIBPUGDSLHTJD-VWLOTQADSA-N 371.480 5.254 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587521942 DRXSGRVZAWRJHF-XMMPIXPASA-N 354.449 5.939 0 1 FKAF CCCCC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527957 ZUTHTFAPRBIVKU-CVDCTZTESA-N 372.505 5.049 0 1 FKAF O=C1C[C@@]2(CCC[C@H](Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587528258 ZVRCWIZBLRSRBK-CLOONOSVSA-N 360.497 5.702 0 1 FKAF Cc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1 587533205 VFDJDDPENHSIRS-NRFANRHFSA-N 374.505 6.309 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c([C@@](C)(O)C(F)(F)F)c2c1 587641286 MECPMQVURQPXQT-XLKFXECMSA-N 353.306 5.470 0 1 FKAF Clc1oc2ccccc2c1[C@H]1NCCc2cccc(-c3ccccc3)c21 962672302 WKRHNWPDTBZPQT-QFIPXVFZSA-N 359.856 5.988 0 1 FKAF O=C(O)CCc1cc2cc(-c3cc(OC(F)(F)F)ccc3F)ccc2o1 1772619398 HTIVRXDQROURHF-UHFFFAOYSA-N 368.282 5.155 0 1 FKAF Clc1ccc(C2=CSC3=NN=C(SCc4ccccn4)[C@H]23)cc1 1772657207 HELAHDTVMYQYPZ-HNNXBMFYSA-N 357.891 5.098 0 1 FKAF COc1ccc2nc3c(-c4ccco4)n(Cc4ccccc4)ccc-3c2c1 1857559996 YUGYOCKNFNTHBW-UHFFFAOYSA-N 354.409 5.458 0 1 FKAF CCC=C[C@H](CC)CC(=C[C@@](O)(CC)C[C@](O)(C=CC(=O)O)CC)CC 2356399962 LSVMTGUPGAJFCN-BWAGFHJFSA-N 366.542 5.018 0 1 FKAF Cn1cc(SCC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc21 2382246817 XDKDBANCXFEWMS-UHFFFAOYSA-N 365.285 5.216 0 1 FKAF C[C@@H]1[C@@H](Sc2ccccc2)CC(=O)O[C@@H]1c1ccc(-c2ccccc2)cc1 13829243 VOUJVWAQGWKGAR-UWSIMGETSA-N 374.505 6.139 0 3 FKAF CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1)c1ccc(F)cc1 1646000 DHXFWTGNJAEWPY-KRWDZBQOSA-N 371.776 5.856 0 1 FKAF CC(C)C(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2564638 PYHZLMFTKOTWGQ-ACXQXYJUSA-N 358.522 5.086 0 1 FKAF biogenic Fc1ccc(-c2[nH]c(-c3cccc4ccccc34)nc2-c2ccncc2)cc1 26574846 MDQQAIUZIATVCK-UHFFFAOYSA-N 365.411 6.098 0 1 FKAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@H]1C[C@H](C)CCC=C(C)C 26816649 DUQKWXIFKLCNNB-JQBIRHBESA-N 363.498 5.103 0 1 FKAF COc1ccc(CCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 28134300 LZDDSCGGRSKXLT-PSWAGMNNSA-N 356.469 5.112 0 1 FKAF CCN(C/C=C/C(C)=C/C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C 36242004 MIGJPNZBHHEELG-JCSMHIBFSA-N 355.522 5.449 0 1 FKAF CCCC[C@@]12Cc3c(ccc4ccccc34)[C@@H](O1)c1c(cc(C)oc1=O)O2 72141311 RQNQTJSVAIXCOL-GGAORHGYSA-N 362.425 5.042 0 1 FKAF Fc1ccccc1CNc1cc(Oc2ccc(-c3ccccc3)cc2)ncn1 82067758 VSLSKGUNWLQYNB-UHFFFAOYSA-N 371.415 5.687 0 1 FKAF Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3ccc(F)cc3)n2)cc1 82164961 DEQXBMNQOGRIMP-UHFFFAOYSA-N 374.419 5.167 0 1 FKAF Fc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc4ccccc4c3)C2)cc1 95581460 HZSFWOABFOFUGI-VWLOTQADSA-N 366.439 6.335 0 1 FKAF CC(C)(C)CC(C)(C)c1ccc(OCCCCCCCCCCO)cc1 95619925 YHBHQYRDAVETGQ-UHFFFAOYSA-N 362.598 6.892 0 1 FKAF endogenous,in-man O=c1cc(-c2ccccc2)oc(O)c1[C@@H](SC1CCCC1)C1CCCC1 101348314 RPLIDZHZRNKTNS-NRFANRHFSA-N 370.514 5.920 0 1 FKAF CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cc2ccccc2s1 115764980 MGTJZYVWWIVNTR-UHFFFAOYSA-N 369.877 5.605 0 1 FKAF CCc1ccnc2c(NCCCCCCN(CC)CC)cc(OC)cc12 169334223 PNLVMSIROMOKRO-UHFFFAOYSA-N 357.542 5.120 0 1 FKAF CC[C@@H](C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299819517 DAXMFHJYAYLAJM-RIMAWLSZSA-N 373.581 5.081 0 1 FKAF CC1(C)C=Cc2c(ccc3c(=O)c(-c4cccc(C(F)(F)F)c4)coc23)O1 299838547 NBVMUYLKRZWXAB-UHFFFAOYSA-N 372.342 5.663 0 1 FKAF OCCCCCCCCCCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586894371 BLOQSDSSYUFKCK-UHFFFAOYSA-N 374.422 5.767 0 1 FKAF FC(F)(F)c1cc(Br)c2[nH]c(-c3ccoc3C3CC3)nc2c1 586902040 SQVSNBWRYPXICQ-UHFFFAOYSA-N 371.156 5.482 0 1 FKAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc(C)c1F 586996263 QWKSRMVIKMFJKO-UHFFFAOYSA-N 367.423 6.178 0 1 FKAF Cc1cc(C)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 587014933 AJGHJIIURRAFCG-UHFFFAOYSA-N 374.296 6.277 0 1 FKAF Cc1c(Cl)ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016410 VKAONFROPPFWSD-UHFFFAOYSA-N 360.269 5.969 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc12 587018291 VHAJGGLHPPNWTM-UHFFFAOYSA-N 371.469 5.017 0 1 FKAF Cc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587047686 ALLIWKVRQJJTTA-ZJUUUORDSA-N 351.664 6.103 0 1 FKAF Clc1cccc(-c2cc(-c3nc4c(Br)cccc4[nH]3)n[nH]2)c1 587071112 LMLGSPSPEVIJKA-UHFFFAOYSA-N 373.641 5.036 0 1 FKAF Clc1ccc(CC/C(=C/c2nc3ccccc3[nH]2)c2ccccc2)cc1 587074093 SCXPVMDHESOLSK-MNDPQUGUSA-N 358.872 6.390 0 1 FKAF Cc1onc(-c2nc3c(C)cccc3[nH]2)c1COc1ccc(Cl)cc1 587075075 FDCLOGCZHDIINK-UHFFFAOYSA-N 353.809 5.067 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](C(C)(C)C)C4)-c1ccccc1C2=O 587100297 FOVQSQGWVWGVDX-HNNXBMFYSA-N 355.481 5.906 0 1 FKAF Fc1ccc(/C=C(/c2nc3cc(F)c(F)c(F)c3[nH]2)c2cccs2)cc1 587163468 JIHJAQZDJCDPJC-XYOKQWHBSA-N 374.362 5.770 0 1 FKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cccc(C(C)(C)C)c2[nH]1 587201532 QUWNQSSVXMBTDY-UHFFFAOYSA-N 373.541 5.441 0 1 FKAF O=C1c2ccccc2-c2cc(CCSc3ccccc3)nc3cccc1c23 587209146 KTRKBEXHRHCZQU-UHFFFAOYSA-N 367.473 5.781 0 1 FKAF CC[C@@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353514 LDPFRESOFHGUDK-GMAHTHKFSA-N 368.448 5.619 0 1 FKAF Cc1cccc2c1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355100 SOFULDFTFVHSDU-LADGPHEKSA-N 374.411 5.040 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](CC(=O)O)CC3)c1 587366912 ROYIJNKCQIGXOG-CQSZACIVSA-N 373.408 5.161 0 1 FKAF CC(C)(C)[C@]1(CCC2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587523258 KNGVFIRZADOQIZ-DEOSSOPVSA-N 354.534 6.286 0 1 FKAF CC[C@H](C)Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525282 UKEDATLKRDLKCI-NYHFZMIOSA-N 350.458 5.449 0 1 FKAF Cc1ccccc1-c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587526108 QXYWTBPIUBOCNF-RUZDIDTESA-N 368.476 6.247 0 1 FKAF CC(C)CC[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600266 NMGQYGPFWBAFLQ-WMZHIEFXSA-N 368.473 5.575 0 1 FKAF CCCC1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587817752 MVVWSQRFAQEIGM-ZVLZOBCMSA-N 354.307 5.308 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C)CC2CCCCC2)N1 587820015 NQIUDEHVMUWAJY-VPZZIHKRSA-N 368.334 5.770 0 1 FKAF Oc1ccc(-n2c(O)cc(-c3cccc(F)c3)c2O)cc1-c1ccccc1 587924932 CFYONXXUWJVXIO-UHFFFAOYSA-N 361.372 5.067 0 1 FKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587931765 STQJPIYFLAVOML-SGTLLEGYSA-N 364.342 5.175 0 1 FKAF CN(C)c1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1 1857551589 AJHJQNKTWHOYQV-UHFFFAOYSA-N 371.893 5.779 0 1 FKAF COc1ccc(NCc2nc3cccc(OCC4CCCCC4)c3[nH]2)cc1 1857568198 VLXYCCNZQXRRPI-UHFFFAOYSA-N 365.477 5.143 0 1 FKAF CCOCc1cnc2ccc(OCc3ccccc3)cc2c1SCC 1857749011 NIUHYVMDRWBKEX-UHFFFAOYSA-N 353.487 5.462 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CCC2=C3CC[C@@H]4C=CCC[C@]4(C)[C@@H]3C=C[C@]21C 2356621846 SDCFNOCWBVAGES-FDHMOAKKSA-N 354.534 6.153 0 1 FKAF CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2[C@H](OC(=O)C=Cc2ccccc2)C1 2356687053 BSHLGQPIUIDMJX-BUZMGHMJSA-N 368.517 5.155 0 1 FKAF COc1ccc(-c2c(-c3ccccc3OC)sc3ccccc23)cc1F 61969128 ILCJCBCDFHIWRS-UHFFFAOYSA-N 364.441 6.392 0 3 FKAF COc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccccc2)cc1 3787274 NCYJLENYYMZQHU-DNQXCXABSA-N 371.480 5.422 0 1 FKAF Clc1ccc([C@@H]2[C@H]3COc4ccccc4C3=NN2c2ccccc2)cc1 5822820 FMMCIVXQBOSDGP-SIKLNZKXSA-N 360.844 5.314 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CC[C@@H]1n1ccnc1 13586656 MRFBVQCSZMKBFY-MNMSMGJBSA-N 366.505 5.650 0 1 FKAF CNCC[C@@H](Oc1cccc2ccccc12)c1cccc(Br)c1 13588060 UKLJVQPVIADCAE-LJQANCHMSA-N 370.290 5.332 0 1 FKAF C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3cccc(Cl)c3)ccc2o1 13606767 ARRAWZMFGXGZJA-OAHLLOKOSA-N 367.876 5.344 0 1 FKAF C[C@@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 51193036 MVMZWHAHBIJEDT-SECBINFHSA-N 350.205 5.179 0 1 FKAF CCO[P@](=O)(Nc1ccc(C)cc1Cl)Oc1ccc(C)cc1Cl 72125229 PZPJVWJTJDMKIC-HSZRJFAPSA-N 374.204 6.246 0 1 FKAF CCCOc1ccc(-c2nc(CN[C@@H]3C[C@H](C)CC(C)(C)C3)co2)cc1 72184700 NWWLEGSOAAAZMQ-FUHWJXTLSA-N 356.510 5.435 0 1 FKAF C[C@]1(CCCCCCCCCCc2ccccc2)C[C@@]2(C)OC(=O)C[C@@H]2O1 82047630 PGZGTNDHESKDJB-OEMFJLHTSA-N 372.549 5.993 0 1 FKAF COc1ccc2c(c1)S[C@@]1(c3ccc(C)cc3)C(=O)c3ccccc3C1=N2 84723033 JZJFAEDBKBMWJY-HSZRJFAPSA-N 371.461 5.322 0 1 FKAF CCCCCC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(C)C 103255815 YBOBZJKLUZRUIW-UHFFFAOYSA-N 356.514 5.195 0 1 FKAF CC(=O)CCCCCCCCCCCCCCCCC[C@@H](O)C=C(C)C 238764300 VCVPNFYTLOKZAW-XMMPIXPASA-N 366.630 7.534 0 1 FKAF CC(C)(C)C1=NN(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(O)cc2)C1 299826003 DNQXPQJJJOHBAO-KRWDZBQOSA-N 362.395 5.765 0 1 FKAF CCCC1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCC1 586877689 KMWQEJMBDNGUJZ-UHFFFAOYSA-N 361.205 5.566 0 1 FKAF CC(C)c1c(-c2cccs2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586993111 DZRYUQOURJXOOO-UHFFFAOYSA-N 371.461 6.004 0 1 FKAF CC(C)(C)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005656 OWVSEPBWFQMOHZ-UHFFFAOYSA-N 364.674 5.338 0 1 FKAF COc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1Cl 587083836 OEAJFTQBXFNHTJ-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF Cc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1Cl 587112484 NDVLBZITCFIVBO-UHFFFAOYSA-N 361.754 5.759 0 1 FKAF FC(F)(F)c1nc2ccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)cc2[nH]1 587120624 QXBRONOKANBNFT-UHFFFAOYSA-N 370.256 5.144 0 1 FKAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587151573 RRAVGXSQVLFAFH-ZDUSSCGKSA-N 366.367 5.773 0 1 FKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccnc(Cl)c2[nH]1 587247060 GCXKBHPZDPQYDE-UHFFFAOYSA-N 364.836 5.026 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(F)(F)F)c1)CC2=O 587464648 VHGIHZXPNGWTFK-KRWDZBQOSA-N 350.336 5.070 0 1 FKAF CC[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510792 YNFVSMYMBTUOPQ-OAQYLSRUSA-N 374.402 5.855 0 1 FKAF Cc1c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c(C)c1C=O 587526786 SCXIQKBFYYZPOJ-QFIPXVFZSA-N 362.469 5.318 0 1 FKAF Cc1ccccc1[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599809 HQWLVDLIEPRQTB-XUZZJYLKSA-N 374.436 5.214 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C[C@H]1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604321 SQDPVDHSIPSITM-LEIHUNCNSA-N 366.457 5.185 0 1 FKAF O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 587633461 FHGRCUXFZKFNMA-UHFFFAOYSA-N 357.306 5.710 0 1 FKAF Cc1ccc(C(=O)c2c(-c3cccc(F)c3)[nH]c3cccc(F)c23)c(O)c1 587634500 HNIAFRPVMOCAOJ-UHFFFAOYSA-N 363.363 5.358 0 1 FKAF Fc1ccc(-c2csc(-c3ccc(C(F)(F)F)c(F)c3)n2)cc1F 587922185 LAYQCAIGLSPYDN-UHFFFAOYSA-N 359.294 5.913 0 1 FKAF COc1ccc2c(c1)C[C@@H](c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)CC2 587938455 XQFLFUKFEFDPMK-NSHDSACASA-N 364.342 5.002 0 1 FKAF CCOc1cccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1 653679382 QGYSTVNYOHJBRY-OAQYLSRUSA-N 359.473 5.340 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3occc3c2)n1 653750429 SWQDRXUWXXVHHN-HXUWFJFHSA-N 355.441 5.688 0 1 FKAF CN(CC/C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)CCO2 1772589576 XVDPLPUXNWBPFT-FNORWQNLSA-N 369.508 5.824 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2Cl)nc2c1oc1ccccc12 1772615611 NYHMHHDOHJJWGQ-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF CCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)s2)cc1 1857612657 RBHKPKKLBFWKGG-UHFFFAOYSA-N 350.531 6.097 0 1 FKAF CC(C)CCCCCCC[C@H](O)CC(=O)N1CC=CC[C@H]1c1cccnc1 2356821740 GEFWLZQQJKNTLU-VXKWHMMOSA-N 372.553 5.049 0 1 FKAF Cc1c(-c2ccccc2)cnn1C1CCN(Cc2cccc(Cl)c2)CC1 838763 VIGLYHYRWJDUPG-UHFFFAOYSA-N 365.908 5.349 0 1 FKAF Cc1nc(Nc2ccc(Oc3ccccc3)cc2)c2c(C)c(C)sc2n1 3018062 QZMKIJZDIGTUJP-UHFFFAOYSA-N 361.470 6.152 0 1 FKAF Cc1cc(C(C)(C)C)ccc1[C@@H](C)NC(=O)Nc1cccc2cnccc12 14973667 FCULURVPUPQHAV-MRXNPFEDSA-N 361.489 5.723 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCO 26829774 GRPWUOMZDOTPOW-QNEBEIHSSA-N 363.586 5.855 0 1 FKAF Oc1ccc2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1 28648310 PNJYSPZESHWTRL-UHFFFAOYSA-N 370.492 6.386 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=C\c1ccccn1 35243328 IQBFIGPMCIVHIE-YLNQTPLRSA-N 363.545 5.789 0 1 FKAF O=C(O)c1ccc2c(c1)[C@H]1CCCOc3ccccc3C1=C2C1CCCCC1 36350486 NNDCTQKILRJYQE-GOSISDBHSA-N 374.480 6.146 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@@]3(C)CCC[C@H]3CC[C@]21C 71769549 WPKYQECPNNWDJY-JNEUNRGUSA-N 370.665 8.252 0 1 FKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@@H]1c1cccc(Cl)c1 84653311 KBHFUCVGIJVLCD-IBGZPJMESA-N 368.889 5.581 0 1 FKAF Cc1ccccc1-c1ccc2c(-c3ccc(C(C)(C)C)cc3)cccc2c1 95603196 YMDZUOGIXLHGKX-UHFFFAOYSA-N 350.505 7.780 0 1 FKAF CCCCCn1c2ccccc2c2cc(C(=O)CN3CCCCC3)ccc21 96938079 XBLZZHYXIAAHDK-UHFFFAOYSA-N 362.517 5.653 0 1 FKAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 104032970 OXOHCHHBKPMDQY-OAQYLSRUSA-N 365.473 5.289 0 1 FKAF C[C@]12CC[C@H]3[C@@H](C[C@@H]4C[C@]45C[C@@H](O)CC[C@]35C)[C@@H]1CC=C2c1cccnc1 141896409 SGBMHXUDAZFBJG-RGVDXSKGSA-N 363.545 5.479 0 1 FKAF COc1ccc(-c2cc3ccccc3nc2[C@H](O)c2ccc(OC)cc2)cc1 169312342 WPYDAINFKPXOMM-XMMPIXPASA-N 371.436 5.001 0 1 FKAF CC(C)(C)C1=NN(c2c(Cl)cccc2Cl)[C@H](c2ccc(O)cc2)C1 299826010 DQAMXHMKBYEODA-INIZCTEOSA-N 363.288 6.053 0 1 FKAF FC(F)(F)c1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 587051066 RUBVMPFKYYOLCG-HTQZYQBOSA-N 372.177 5.555 0 1 FKAF Cc1cncc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587074094 SDFQABIXVCKBQL-CPNJWEJPSA-N 373.887 6.093 0 1 FKAF FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587089198 ZQADHAIXHYLNRG-CYBMUJFWSA-N 371.456 5.464 0 1 FKAF C[C@@H](Oc1ccc(-c2ccccc2)cc1)c1cc2c3c(cccc3n1)CC2 587211985 NQDOJGRDFAUIQG-QGZVFWFLSA-N 351.449 6.140 0 1 FKAF O=C(c1cccc(COc2ccc3c(c2)CCC3)c1)c1coc2ccccc12 587280789 YPKRCXLVIQJFGL-UHFFFAOYSA-N 368.432 5.732 0 1 FKAF CC[C@@H](C(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587366718 YYCLRJIKVXBXSA-KRWDZBQOSA-N 359.425 5.739 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C3CCCC3)[nH]c3ccccc13)O2 587396003 IDDAVTPPLOMULK-FQEVSTJZSA-N 360.457 5.423 0 1 FKAF CCCc1c(O)ccc2c1O[C@H]([C@H](CC(C)C)c1ccccc1)CC2=O 587490074 RJTFUJUUTUJOJE-KNQAVFIVSA-N 352.474 5.508 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1cccc(C)c1)(C(C)(C)C)CC2=O 587491266 VLFKYSJLESZBOH-QHCPKHFHSA-N 352.474 5.560 0 1 FKAF O=C1C[C@]2(CCCC[C@@H]2Cc2ccccc2)Oc2c1ccc1c2CCCC1 587526063 QKTBCMQBKPMPFC-NLFFAJNJSA-N 360.497 5.702 0 1 FKAF COc1ccccc1-c1[nH]c2cc(Cl)c(F)cc2c1C(=O)C(F)F 587628938 BXRKRDPKTDPHQW-UHFFFAOYSA-N 353.727 5.084 0 1 FKAF COc1cccc(-c2cccc(-n3c(OC(C)C)ccc3OC(C)C)c2)c1 587927893 ZJUMWXJAINKZBN-UHFFFAOYSA-N 365.473 5.727 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cccc(C(F)(F)F)c4[nH]3)ccc2c1 587934657 MBAKCGZUNUOJLK-GFCCVEGCSA-N 370.374 5.895 0 1 FKAF CC[C@]1(Cc2nc3ccc(SC)cc3[nH]2)CC(=O)c2ccccc2C1 587959994 JRHFZFGPZACHOP-OAQYLSRUSA-N 350.487 5.053 0 1 FKAF OCc1cnc2c(c1)c1ccccc1n2Cc1c(Cl)cccc1Cl 653704597 JILOBYPOBTXZJU-UHFFFAOYSA-N 357.240 5.037 0 1 FKAF CCc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(O)c4)nc(C)n3)cc12 653749375 VEBODEAQKVXTKP-AWEZNQCLSA-N 373.456 5.639 0 1 FKAF COc1ccc2c(c1)[C@]1(CCC[C@@H](c3ncccc3C)C1)N(C(C)C)CC2 962090759 MUHDPXRYEGZQQO-HYBUGGRVSA-N 364.533 5.218 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCc2cc(C)cc(C)c2)(C2CC2)N1 962953317 QQTWYGCDVRFMJZ-LVXARBLLSA-N 372.556 5.947 0 1 FKAF CCCCCc1cc(OC)c(CC=C(C)CCC=C(C)C)c(O)c1C(=O)O 2356617849 VAFRUJRAAHLCFZ-UHFFFAOYSA-N 374.521 6.067 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@@]4(C)C3=CC[C@@]21C 2356686874 WNMPECVUVQDPTP-XWQLWTSGSA-N 366.589 6.615 0 1 FKAF Cc1ccc([S@](=O)(=Nc2ccccc2)[C@H](C(C)C)C(C)(C)Cl)cc1 1864419 DVFUUDXSWUKQSE-NTKDMRAZSA-N 363.954 6.196 0 1 FKAF CC[C@@]1(c2ccccc2)Sc2c(Cl)cccc2-n2cccc2C1=O 5846277 LVWNWAQCVWJSGW-FQEVSTJZSA-N 353.874 5.725 0 1 FKAF Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc21 13766324 OUVHCTWMGVFCDT-UHFFFAOYSA-N 368.908 5.397 0 1 FKAF CCCCC[C@@H](CC)CNc1nc(C)nc2cc(-c3ccccc3)[nH]c12 13835019 CEZFQGRFQYXJOQ-QGZVFWFLSA-N 350.510 5.952 0 1 FKAF O=C(O)[C@H](CCC/C=C(/c1cccnc1)c1cccs1)c1ccccc1 26738710 LFYNEAKPAKCFIB-DEWISIQVSA-N 363.482 5.614 0 1 FKAF CN(CCCCOc1ccccc1CCc1ccccc1)Cc1ccccc1 29481073 HKFFFTYAVIBNOI-UHFFFAOYSA-N 373.540 5.763 0 1 FKAF CCC/C=C(\CCC)[C@@H](NC(=O)C(C)(C)C)c1ccc(C(=O)OC)cc1 34148356 RMLWMIFCPNWELL-KZIRBZLESA-N 359.510 5.203 0 1 FKAF CC[C@@](C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 34412297 XKPABPUZOPQTMH-OAQYLSRUSA-N 370.880 5.172 0 1 FKAF Fc1ccc2c(C3=CCN(CCc4coc5ccccc45)CC3)c[nH]c2c1 34554171 WVNFUIRFEIEFKM-UHFFFAOYSA-N 360.432 5.385 0 1 FKAF CN(CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccccc1 40915114 LMLMIMPHMVMBOS-UHFFFAOYSA-N 372.487 5.834 0 1 FKAF Fc1ccc(Nc2nc3c(-c4ccc(F)cc4)nc4ccccc4c3o2)cc1 49054779 KKURSMQEFZHXNM-UHFFFAOYSA-N 373.362 6.065 0 1 FKAF c1ccc(Nc2nc(-c3ccc4[nH]ncc4c3)c(-c3ccccc3)s2)cc1 66066151 TYVWUBVBBNANOO-UHFFFAOYSA-N 368.465 6.097 0 1 FKAF OC1(c2ccccc2)C[C@@H]2CC[C@@H](C1)N2C(c1ccccc1)c1ccccc1 101195594 CLYMVAVVSSYJKT-ZEQRLZLVSA-N 369.508 5.291 0 1 FKAF Cc1c(Cl)cccc1Oc1cccn2c(C[C@H]3C[C@H]4CC[C@H]3C4)nnc12 253682124 JQYYWVQHGKKNJP-HRCADAONSA-N 367.880 5.462 0 1 FKAF Oc1cccc(CCCCc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 586896280 OFBYJDRVMNOCJG-UHFFFAOYSA-N 372.468 5.413 0 1 FKAF O=C1c2ccccc2-c2c(Cc3cccc(Cl)c3)cnc3ccc(O)c1c23 586985496 IQRMKGWFEDKKMN-UHFFFAOYSA-N 371.823 5.396 0 1 FKAF Cc1cc2c(cc1C)-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O 586989779 FAOHTXJFTSJOEH-UHFFFAOYSA-N 363.416 5.340 0 1 FKAF Nc1ncnc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc12 587049631 COCIOGPBGDFYBN-UHFFFAOYSA-N 371.831 5.076 0 1 FKAF O=C1c2ccccc2-c2cc(-c3c(O)cccc3Cl)nc3cccc1c23 587103027 AFRMWKFGBXQXST-UHFFFAOYSA-N 357.796 5.472 0 1 FKAF COc1cccc(-c2cc([C@]3(C)CCCO3)nc3c2oc2ccccc23)c1 587367639 XIZPPYCYWWOPMS-QHCPKHFHSA-N 359.425 5.682 0 1 FKAF CCCOc1ccc2ccccc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440563 HEPAWCONPVLEED-HOYKHHGWSA-N 374.436 5.126 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Cl)ccc2C[C@H]1C 587461430 KGCOIKMHWBMWFG-GTJPDFRWSA-N 356.849 5.051 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CCC1(C)C 587479566 IOKZXOSERRTIGF-QHCPKHFHSA-N 350.458 5.178 0 1 FKAF CCCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1CC 587481476 MRWCULUNRLTITL-QFIPXVFZSA-N 368.473 5.402 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1c1ccc(C)cc1)CC2=O 587482306 NHQMIAVRGRTHAV-XXBNENTESA-N 350.458 5.325 0 1 FKAF O=C1C[C@H](CCc2c(F)cccc2Cl)Oc2c1ccc1c2CCCC1 587508081 RMBWPVCIKSGJLT-AWEZNQCLSA-N 358.840 5.325 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccsc3)nc2)Oc2c1ccc1c2CCCC1 587535198 JGCCNWQFWBQIAG-NRFANRHFSA-N 361.466 5.395 0 1 FKAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C)cc(Cl)cc23)s1 587624461 MRKSBZAJKZJSCX-UHFFFAOYSA-N 357.784 5.749 0 1 FKAF CCOC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccccc1Cl 587628481 LSCXJFNVPMHOMN-UHFFFAOYSA-N 366.219 5.386 0 1 FKAF CC(C)c1cc(OC(C)(C)C)n(-c2ccc(O)c(-c3ccccc3)c2)c1O 587926172 LWDORHPLMKVPNI-UHFFFAOYSA-N 365.473 5.856 0 1 FKAF CC[C@@]1(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)CC(=O)c2ccccc2C1 587962747 ZYDXSNZDJSUSBA-IBGZPJMESA-N 374.271 5.033 0 1 FKAF CC[C@H](O)C(C)=C[C@H](C)[C@@H](O)C(C)=CC(C)=C[C@@H](C)C=Cc1ccccc1 2356537591 YLFWWEOWHPOZJW-DMGDPNCRSA-N 368.561 5.943 0 1 FKAF CC1=CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H](OC(=O)C=Cc3ccccc3)[C@H]12 2356570606 PJJFRVBMYOIECO-ILCIMEMOSA-N 368.517 5.011 0 1 FKAF CC(=O)CCCCCCCCCCCCCCCc1cc(O)cc(O)c1 2356796490 NHHWCCFJZRIDMR-UHFFFAOYSA-N 362.554 6.691 0 1 FKAF CCCCCC=CCC=CCCCCC[C@@H]1CC(=O)[C@@H]2CCCC[C@H]2N1C 2356848300 PDIJVDGSENRHCD-WXFUMESZSA-N 373.625 6.852 0 1 FKAF COc1ccc([C@H]2Oc3ccc(Br)cc3-c3ccccc32)cc1 2382219684 KEQFRHIWZYTDKZ-HXUWFJFHSA-N 367.242 5.607 0 1 FKAF Clc1cccc(N2Cc3cc(-c4ccccc4)ccc3-n3nncc3C2)c1 72137642 TYKGDEYEZSAHAS-UHFFFAOYSA-N 372.859 5.108 0 3 FKAF c1ccc(-c2nc(-c3cccc4ccccc34)c(NC3CCCCC3)o2)cc1 8860588 WQGKUSUWFIAQRR-UHFFFAOYSA-N 368.480 6.906 0 1 FKAF aggregator COc1ccc([C@@H]2C[C@H](c3ccccc3)Oc3c(C)ccc(C(C)C)c32)cc1 13829848 SKNHBIKYZAIJSJ-BJKOFHAPSA-N 372.508 6.783 0 1 FKAF COC1=CC2=N/C1=C\c1ccc([nH]1)CCCCCCCCCc1ccc2[nH]1 14614446 JPPBJMYDABMXAF-JCMHNJIXSA-N 363.505 5.546 0 1 FKAF CSc1ccc(C2=C(c3ccc(F)c(C)c3)C(=O)N3CCC[C@@H]3C2)cc1 29407971 JBOVJRMMNJBDNQ-QGZVFWFLSA-N 367.489 5.162 0 1 FKAF Cc1cc(Nc2nc(-c3ccc4ccccc4c3)nc3ccccc23)[nH]n1 34043602 FDGBTWXEXNHPRH-UHFFFAOYSA-N 351.413 5.225 0 1 FKAF O=C(CCc1ccccc1)c1ccccc1OCCCCN1CCCCC1 40766798 RYJIPLTVTGMTAL-UHFFFAOYSA-N 365.517 5.147 0 1 FKAF O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)SCc1ccccc1 40861962 OOAGCKBADUZZJH-UHFFFAOYSA-N 360.438 5.960 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(O)c3)c(-c3cccc(O)c3)s2)c1 45290500 ZBWIOPSLXQDYEV-UHFFFAOYSA-N 360.434 5.866 0 1 FKAF in-vivo Clc1ccc(Cl)c(CO[C@H](CCn2ccnc2)c2cccs2)c1 71330103 WWUYKDXLBJEHAD-MRXNPFEDSA-N 367.301 5.600 0 1 FKAF c1ccc(Oc2ccc(CNc3cc4c(cn3)[nH]c3ccccc34)cc2)cc1 72175917 CLIMCDOYHOJLBL-UHFFFAOYSA-N 365.436 6.121 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OC3CCCC3)cc2)n1 72180632 IEWZOLVORYBDEP-QGZVFWFLSA-N 356.510 5.721 0 1 FKAF O=C(CCCCN1[C@@H]2CCC[C@@H]1c1c([nH]c3ccccc13)C2)c1ccccc1 100758005 YRSRTQZYVZWNKO-AUSIDOKSSA-N 372.512 5.673 0 1 FKAF Cc1c(Cl)cccc1Oc1cccn2c(C[C@@H]3C[C@H]4CC[C@H]3C4)nnc12 253682134 JQYYWVQHGKKNJP-JYJNAYRXSA-N 367.880 5.462 0 1 FKAF O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1O 299837823 LDXLXFYSGFUTQF-HNNXBMFYSA-N 374.676 5.131 0 1 FKAF CC(C)(C)c1cccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586979479 NKLIOVMMFZVDDN-UHFFFAOYSA-N 364.674 5.338 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]1CCCC[C@H]1C3 586989881 GNWVAKPUBPYZRI-UONOGXRCSA-N 355.437 5.057 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(F)c(F)c2[nH]1 587014418 LGCRCDLHEVHKMJ-UHFFFAOYSA-N 361.804 5.593 0 1 FKAF CCc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587038678 BEVLCTHXAUJVMT-UHFFFAOYSA-N 356.516 5.183 0 1 FKAF Cc1cnc(Cl)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc12 587048711 JROYGGLLSCGAFF-DTWKUNHWSA-N 352.652 5.498 0 1 FKAF FC(F)(F)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587049082 KVEATLBSKVHYBL-VHSXEESVSA-N 371.189 6.160 0 1 FKAF Clc1cccc(/C=C/c2nc3cc(Br)cnc3[nH]2)c1Cl 587053747 HVCMXOVAZZVBCX-SNAWJCMRSA-N 369.049 5.198 0 1 FKAF CC/C=C/CCOC(=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097035 NSWLKAHSEPKCHK-SNAWJCMRSA-N 371.436 5.268 0 1 FKAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 587169148 UGFPNTIWSPIXQH-MRVPVSSYSA-N 369.621 5.258 0 1 FKAF Cc1nc2sccn2c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587206954 APGYBNNUDAPVRQ-UHFFFAOYSA-N 367.433 5.131 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(SC3CCCCC3)o1)O2 587409704 JEGWTKYPTWCQQD-GOSISDBHSA-N 357.475 5.302 0 1 FKAF O=C1C[C@]2(CCCOc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587501548 OVYREVUAGUDWNX-QFIPXVFZSA-N 368.860 5.252 0 1 FKAF CC(C)(C)c1[nH]c2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521098 AKYDMYULHJBKHT-NRFANRHFSA-N 373.496 6.051 0 1 FKAF CC(C)CCC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521119 CROVBRUKHCHHHB-RUZDIDTESA-N 362.513 6.252 0 1 FKAF CCOc1ccc2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 587521610 BTABIKZQHNFNAC-QHCPKHFHSA-N 373.452 5.219 0 1 FKAF O=C1C[C@@]2(CC3(CCC3)Oc3ccccc32)Oc2c1ccc1c2CCCC1 587530156 BFUCJVIWPKDGHB-DEOSSOPVSA-N 360.453 5.131 0 1 FKAF CCOc1ccccc1OCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587780613 VTLSOTHCHYWTCB-UHFFFAOYSA-N 374.440 5.120 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC2CCCCC2)N1 587813935 QTRYUQQVXPLWBY-YJYMSZOUSA-N 368.334 5.698 0 1 FKAF CC1=C([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CCC1 587819473 IHRKTVSPINMECU-KPZWWZAWSA-N 366.318 5.690 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(Cl)c(F)cc3[nH]2)cc1 587938763 ZSXXJRUMGIUYFE-HXUWFJFHSA-N 366.823 5.544 0 1 FKAF CCC[C@@H](c1ccccc1)[C@@H]1c2ccsc2CCN1Cc1cccn1C 962398995 OXSDTMYFISLKNL-NZQKXSOJSA-N 364.558 5.770 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(F)cc2)(C(C)(C)CC)N1 962951636 UKGWGMLNSDWABI-KOSHJBKYSA-N 364.508 5.911 0 1 FKAF CC[C@]1(c2ccc(OC(F)F)cc2)c2c(F)cccc2C[C@H]2CCCN21 963114523 UOGQSVOZXHWUIT-IERDGZPVSA-N 361.407 5.101 0 1 FKAF O=C(c1ccc(-c2ccc(F)cc2F)s1)c1cc(F)c(F)c(O)c1F 1772604310 QVHCDCUIBFYPSB-UHFFFAOYSA-N 370.298 5.047 0 1 FKAF CC(C)C1=C[C@]2(CC[C@](C)(NC(=O)NCCc3ccccc3)C2)[C@H](C)CC1 2356614138 IRQHDWSBLUHZPI-YGOYIFOWSA-N 368.565 5.470 0 1 FKAF COc1ccc(Nc2nccc3c2cc(-c2ccccc2)n3C)cc1OC 74387053 NUPASZLETMJHRL-UHFFFAOYSA-N 359.429 5.001 0 3 FKAF CC1(C)C[C@H](Cc2ccccc2C(F)(F)F)N(C(=O)OC(C)(C)C)C1 95600025 MQQMIQZIDJFVLX-AWEZNQCLSA-N 357.416 5.284 0 3 FKAF Clc1ccc(Sc2nnc(Cc3ccncc3)c3ccccc23)cc1 13808827 DUSBNRXTCYVZOE-UHFFFAOYSA-N 363.873 5.420 0 1 FKAF CSCCC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 14947026 NXBZLFOYWHWZLN-KSCDAYEDSA-N 358.547 5.131 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1[C@@H](C(=O)O)CC(C)=C[C@@H]21 26837259 UQRMVLZMWMWTOL-TWOQFEAHSA-N 358.478 5.047 0 1 FKAF CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2C)c2ccccc12 29037801 UNDSYSUOVNZXCU-UHFFFAOYSA-N 362.517 6.154 0 1 FKAF Fc1ccc(/C=C2\CCC[C@@H]3C2=NC(S)=N[C@H]3c2ccc(F)cc2)cc1 36201788 BANJUPPHKPNCDQ-PQOYOPPMSA-N 368.452 5.630 0 1 FKAF CN(C)c1ccc([C@@H]2CC(c3cccc(O)c3)=Nc3ccccc3S2)cc1 40380742 BHIYBBZCRKSVSF-QHCPKHFHSA-N 374.509 5.816 0 1 FKAF CC(C)=CCC(=O)[C@H](C)CCc1cc(C(=O)O)cc(CC=C(C)C)c1O 49181031 CLWPXUNAYCAYEA-MRXNPFEDSA-N 358.478 5.093 0 1 FKAF biogenic COc1ccc(F)c([C@@H](Nc2ccc(F)cc2F)[C@@H]2CCCCC2=O)c1 66258949 ZEAXPHLFWYGMJF-VLIAUNLRSA-N 363.379 5.025 0 1 FKAF CSc1ccc(-c2cc(C[C@@H]3CCCC3=O)ccc2[C@@H](C)C(=O)O)cc1 72107434 SRAWWXJGKORRCF-PBHICJAKSA-N 368.498 5.175 0 1 FKAF COc1cccc(NCC[C@]2(c3ccc(C)cc3)CCOC(C)(C)C2)c1 72108883 DDQCUDFFESCURM-QHCPKHFHSA-N 353.506 5.333 0 1 FKAF CC(C)(C)CCCCCc1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21 95607432 MEPZCBIZPNCRSQ-FCHUYYIVSA-N 370.577 6.419 0 1 FKAF CC[C@@H]1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 101680362 AFKOBULTASCVMS-ZJOUEHCJSA-N 368.565 5.206 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2cccs2)C[C@H](c2ccco2)C1 103904977 LDZAMZUVOCMEHH-ZSEKCTLFSA-N 362.454 5.970 0 1 FKAF CCOC(=O)c1sc(Nc2ccc(Cl)cc2)nc1-c1ccccc1 139468379 BIZNNXHCRZFEHT-UHFFFAOYSA-N 358.850 5.384 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N1CCCC1 169364648 JCCULSFRZNYFOY-MLFLMRJSSA-N 357.582 6.755 0 1 FKAF Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2c2nc(O)cs2)cc1 169728202 RIEKSGPLBJUSNI-IBGZPJMESA-N 363.486 5.130 0 1 FKAF Cc1ccc(CSCCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 586969958 CIVMLPQOTGACIU-UHFFFAOYSA-N 352.837 5.279 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1 587025790 OBLSNRHNEFDNQW-UHFFFAOYSA-N 362.351 6.116 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)cc(F)cc4[nH]3)c21 587030305 BZTIVMNIZWRXMN-LLVKDONJSA-N 369.440 5.800 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587153550 UJSYMHOLKSXTQQ-UHFFFAOYSA-N 358.203 5.738 0 1 FKAF CC(C)CC1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353016 KTQQOXMQQHKDIF-OAQYLSRUSA-N 370.464 5.721 0 1 FKAF CCN(CC)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587360198 KXPVUXGVZWVVPK-UHFFFAOYSA-N 360.457 5.498 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@@H]3CO)c1 587365385 GPRPCHGCEQFLBA-OAHLLOKOSA-N 359.425 5.069 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(Cl)cc3)cc1)O2 587379465 ITXJXDFCCWXMDR-OAQYLSRUSA-N 363.844 5.604 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1Cl)O2 587379964 ZICOPJWWWBORKQ-JOCHJYFZSA-N 363.844 5.140 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1CCCCF)CC2=O 587466365 NHOWXMUTIGNVGK-NRFANRHFSA-N 356.437 5.343 0 1 FKAF Cc1cc(C)cc(OCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587565177 ZUQDFRQBGYWNGF-UHFFFAOYSA-N 370.758 5.311 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ccsc12 587619900 VRJJGMFEDCOQLA-NQIIRXRSSA-N 374.417 5.310 0 1 FKAF Clc1cncc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587785011 XLLHWWRTLWGZMR-FLIBITNWSA-N 361.832 5.361 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)c3ccccc32)N1 587824596 XQQSPYPOSCZRLC-YUNKPMOVSA-N 374.297 5.047 0 1 FKAF Cc1cccnc1-c1ccc2c(c1)CC[C@@H](C)[C@H]2C(=O)c1ccc(O)cc1O 653633708 PNMORMAFEGBQRP-JLCFBVMHSA-N 373.452 5.017 0 1 FKAF CC/C(=C(\c1ccccc1)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1 653864074 SGLBJJBLVBUEFH-IZHYLOQSSA-N 369.508 6.650 0 1 FKAF CSc1ccc2c(c1)N(C(=O)CN1CCCCC1)c1ccccc1S2 1772626823 OPULXZPJUGMBJY-UHFFFAOYSA-N 370.543 5.024 0 1 FKAF CC=C(c1ccccc1OCc1ccc(Cl)cc1Cl)n1ccnc1 1857535037 IFZMLCWQHUAOIW-UHFFFAOYSA-N 359.256 5.678 0 1 FKAF Clc1ccc2nc(N3CCc4c([nH]c5c(Cl)cccc45)C3)sc2c1 1857598701 LFDCLNSCSOXMPO-UHFFFAOYSA-N 374.296 5.647 0 1 FKAF CCCCCCOc1cc(Cl)c(C(=O)CC[N@@]2C[C@@H]2C)c(Cl)c1 1857605556 JAAIRJBWUHNPLG-ZSEKCTLFSA-N 358.309 5.229 0 1 FKAF CC1=C[C@H](CNC2CCC2)[C@@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356287342 HILXSGUSLUJUQM-QKNQBKEWSA-N 365.565 5.411 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]12C 2356390229 UPLFAPLODUYLJO-TTWMQISJSA-N 358.610 6.464 0 1 FKAF COc1cc(C)c2c(c1)CC[C@@](C)(CCC=C(C)CCC=C(C)C(=O)O)O2 2356469106 AABSZBMLGKTAOK-HSZRJFAPSA-N 372.505 5.625 0 1 FKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@@]12C 2356779047 KBCDSNLTAKWEDU-XJTFBZQGSA-N 372.637 6.855 0 1 FKAF O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 13729699 FJLSNSKSKQBOKK-UHFFFAOYSA-N 361.441 5.439 0 1 FKAF C[C@@H](c1cc(=O)[nH]c(SC2CCCCC2)n1)c1cccc2ccccc12 13863474 WUTDUYRUVOILRH-OAHLLOKOSA-N 364.514 5.500 0 1 FKAF C/C(=C\c1ncc(C(=O)O)s1)c1ccc2c(c1)C(C)(C)CCC2(C)C 26657237 NXPNPFPVJPLLLG-JLHYYAGUSA-N 355.503 5.751 0 1 FKAF CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1[C@H]3O 26665067 KJDBORWRPHJLDO-GOSISDBHSA-N 356.263 5.119 0 1 FKAF CCOC(=O)/C(=C\Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 28714132 LFUKCNNYTLVSDT-YBEGLDIGSA-N 370.663 5.663 0 1 FKAF CC/C=C(/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)n1ccnc1 28764431 ABILNPRIFQLNTF-OQOIWIOPSA-N 373.283 6.068 0 1 FKAF CCCCCCC1(c2ccc(-c3cc(C)cc(C)c3)c(O)c2)CCCC1 28822070 BPDUKOOBZHBPTD-UHFFFAOYSA-N 350.546 7.458 0 1 FKAF C(=C/c1nc2ccccc2s1)\c1ccc(OCCCn2ccnc2)cc1 29479910 IMWQERYXDOHBQP-DHZHZOJOSA-N 361.470 5.132 0 1 FKAF OCCCCCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12 29487728 KVETZVPDJLVZPV-UHFFFAOYSA-N 370.496 6.020 0 1 FKAF CCCO[C@@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cnc(C)c1 45367038 NPXXXZGTBMEGTC-ROUUACIJSA-N 366.958 6.043 0 1 FKAF CCCCCc1cc(NC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 45391403 FDZCABOEVJFVLY-RTBURBONSA-N 355.522 5.989 0 1 FKAF CC(=O)O/C=C1/C[C@@H](C)[C@](O)(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]12 59586695 BYUMYSPTNUHTMR-RSCCGYSOSA-N 374.521 5.263 0 1 FKAF biogenic,in-vitro CC(C)Cn1c(CN(C)C)c(-c2ccccc2)c2cc(Cl)ccc2c1=O 72108478 IXYIZMSSLYCESC-UHFFFAOYSA-N 368.908 5.040 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)CC1CCCCC1 72179701 UJINCZIVQLHCRI-WJGLBBAVSA-N 368.561 5.950 0 1 FKAF c1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccsc1)c1ccsc1 100729027 HQINWGGQGATOMX-FGZHOGPDSA-N 372.538 5.522 0 1 FKAF CC1=CC[C@@H](O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@@H](C(C)C)C[C@@H]12 238776075 DNSYTDAEXWUCHW-INVREJQBSA-N 368.517 5.011 0 1 FKAF CCC[C@H]1CCCCC=CCCCC(=O)OCCN1C(=O)OC(C)(C)C 253961438 XSXBVWWVGPNFHH-SFHVURJKSA-N 367.530 5.236 0 1 FKAF C[C@H]([C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C 255285189 YTNIUPZRMQLHNV-MAMKHTOJSA-N 372.641 5.446 0 1 FKAF COc1ccc(-c2ccc3c(c2)[C@H](Nc2ccccc2)CCN3C(C)=O)cc1 299838992 RQQNIOYWIPRSRO-HSZRJFAPSA-N 372.468 5.272 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cnc(OC)cc4[nH]3)cc2)CC1 586879767 HZSKESSJIXBFLI-QAQDUYKDSA-N 363.505 6.098 0 1 FKAF C[C@@H]1c2nc3ccc(O)c4c3c(c2[C@H]1c1ccccc1)-c1ccccc1C4=O 586991581 PHFRKIDQIGPUON-ORAYPTAESA-N 363.416 5.401 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(O)c(Cl)c4)nc13)-c1ccccc1C2=O 586993622 OXZVEMIPLTVYBL-UHFFFAOYSA-N 371.823 5.781 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(SC)cc2[nH]1 587044464 BVOIRRVPVYEVNY-UHFFFAOYSA-N 369.273 5.276 0 1 FKAF Clc1cccc(OCc2ccc(-c3nc4ccncc4[nH]3)o2)c1Cl 587055509 ICACANGIATYGTI-UHFFFAOYSA-N 360.200 5.104 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587069817 LCBKLLZBGFMSSX-MRVPVSSYSA-N 368.651 5.295 0 1 FKAF Cc1cc(F)c2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587072321 YLMYFKKTWCXFCV-UHFFFAOYSA-N 366.823 5.910 0 1 FKAF Clc1ccc(CC/C(=C/c2nc3cccnc3[nH]2)c2ccccc2)cc1 587073549 KSHFCKUAMLPJIX-SDXDJHTJSA-N 359.860 5.785 0 1 FKAF Oc1cccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587073555 LCYKJIBOKSTZSX-OBGWFSINSA-N 374.871 6.095 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(Cl)ccc1C3 587104630 VSYMEUFHPFVGRC-UHFFFAOYSA-N 353.808 5.671 0 1 FKAF FC(F)(F)c1nc2ccncc2cc1-c1nc2cc3ccccc3cc2[nH]1 587116070 MKVRBXHZTRHRCV-UHFFFAOYSA-N 364.330 5.345 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cc(Cl)ncc4[nH]3)c(F)c2)c(F)c1 587152493 OOLLGNJGSHDXRI-UHFFFAOYSA-N 371.774 5.232 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(Cl)c(C)c4[nH]3)c2)c1 587160550 VYBMCZIUWZHUKT-UHFFFAOYSA-N 366.823 6.006 0 1 FKAF c1ccc(CN(Cc2nc3cnc4ccccc4c3[nH]2)c2ccccc2)cc1 587195730 JJWDPYIUTFVFDM-UHFFFAOYSA-N 364.452 5.318 0 1 FKAF O=C(c1cc(F)ccc1Br)c1coc2ccc(Cl)cc12 587277817 DKHAOKGGCOZJCM-UHFFFAOYSA-N 353.574 5.219 0 1 FKAF C[C@]1(Cc2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506425 JMEGQCOFGUXNGN-NRFANRHFSA-N 374.402 5.551 0 1 FKAF C[C@]1([C@@H]2C[C@@H]2c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587507719 RVYNRUCPRYHKEJ-DNVFCKCGSA-N 366.888 5.746 0 1 FKAF O=C1C[C@@]2(CCCC[C@H]2C2=CCCCC2)Oc2c1ccc1c2CCCC1 587521808 DCMFQRYAVUSOFT-XUZZJYLKSA-N 350.502 5.960 0 1 FKAF CCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602622 KLXYFTSTGWFFSQ-QPPBQGQZSA-N 374.436 5.440 0 1 FKAF Cc1cccc2c1[C@H](C)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604970 WLAHCLCVVRGBCJ-FVFQAYNVSA-N 372.420 5.065 0 1 FKAF CC(C)CC[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587818894 GFLUPRPFACEYJG-FRIZHTMISA-N 368.334 5.554 0 1 FKAF CC[C@]1(Cc2nc3cc(Cl)c(F)cc3[nH]2)CC(=O)c2ccccc2C1 587961792 UPHXCGSVWLBJKV-HXUWFJFHSA-N 356.828 5.123 0 1 FKAF CC/C(=C/c1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccc(C)cc1 587968004 RFWBUNBNIWTXNA-HKWRFOASSA-N 368.480 6.401 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3ncoc3c2)n1 653758414 ZWFBPGBCSJWMQG-GOSISDBHSA-N 356.429 5.083 0 1 FKAF CCc1ccc2nc(-c3ccc(-n4nnc5ccccc54)c(C)c3)sc2c1 653889603 QOVXODXPJYBLAW-UHFFFAOYSA-N 370.481 5.568 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(-c3ccc(C)cc3)no2)N1 962947463 NLHNWEHSWJPQIY-MWTRTKDXSA-N 357.457 5.145 0 1 FKAF Clc1ccc([C@@H]2CCCCC[C@@]23NCCc2nc4ccccn4c23)cc1 962981023 COCWTRVQQNZIFL-PGRDOPGGSA-N 365.908 5.077 0 1 FKAF CCCN1[C@H](C(=O)c2cccc(Br)c2)c2ccccc2C[C@H]1C 963237629 YKJBYCSXXDAQEM-KUHUBIRLSA-N 372.306 5.030 0 1 FKAF CCc1ccccc1NCc1ccc(CNc2ccccc2CC)s1 1857556809 ZTOHTJNLXMFWTD-UHFFFAOYSA-N 350.531 6.097 0 1 FKAF Clc1nc(-c2[nH]c3ccccc3c2Br)nc2ccccc12 1857631698 CXRTXVSZHOVXNB-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF O=c1cc(-c2ccccc2)oc2cc(O)c(CC=Cc3ccccc3)c(O)c12 2356654545 BAHFSEZASCPWAI-UHFFFAOYSA-N 370.404 5.127 0 1 FKAF COC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCC(=O)CC1 835506 VKGBYEMUVGAZBA-UHFFFAOYSA-N 360.453 5.404 0 1 FKAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCCC 4214406 DNEGBMLOBWBZNQ-RTWAWAEBSA-N 374.525 5.016 0 1 FKAF NC(=O)c1cc2c(Sc3ccc(-c4ccccc4)cc3)cncc2s1 13862353 ZWUVBQXJINWOPT-UHFFFAOYSA-N 362.479 5.213 0 1 FKAF CC(C)(C)C(=O)Sc1ccc(Cl)cc1NC(=O)C1(C)CCCCC1 26576823 RWLNLQIPGHMJQC-UHFFFAOYSA-N 367.942 5.914 0 1 FKAF CCCCC[C@H](O)/C=C/[C@H]1C2CCC(CC2)[C@@H]1C/C=C\CCCC(=O)O 27554494 UELHSVQUXBHNRV-TYRVOZBYSA-N 362.554 5.737 0 1 FKAF CCN(CCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1 38349233 FBINLPWZDBDJAV-VQTJNVASSA-N 369.380 5.265 0 1 FKAF O=C(C[C@@H](Sc1ccccc1)c1ccccc1)c1ccc2ccccc2c1 72113741 FZRTWADQEUTKGZ-RUZDIDTESA-N 368.501 6.946 0 1 FKAF CC(C)(C)c1ccc(-c2nc(CNC3C4CC5CC(C4)CC3C5)co2)cc1 72140928 HKWHOMBBOSVBTG-UHFFFAOYSA-N 364.533 5.553 0 1 FKAF CCOc1ccccc1CNc1cc(-c2ccc(C(C)(C)C)cc2)ncn1 82161096 OSLPTYYICBGVIJ-UHFFFAOYSA-N 361.489 5.452 0 1 FKAF COc1ccc(NC(=O)c2cc(/C=C/[C@H]3C(C)=CCCC3(C)C)on2)cc1 95573160 GNOPJNRLVFPHKN-CVTTXWKISA-N 366.461 5.331 0 1 FKAF C[C@H]1CCCc2c1nc1[nH]c(=S)nc(N)c1c2-c1ccc(Cl)cc1 96906377 GOQOCVXVPKBGFP-VIFPVBQESA-N 356.882 5.030 0 1 FKAF Clc1ccc([C@@]2(OCc3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1Cl 101300690 SGWFXQFBBZKSIH-YRWFTTLQSA-N 362.300 5.320 0 1 FKAF C[C@H](N=O)c1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1 169719102 WOTWVUVZQBUPBN-HNNXBMFYSA-N 354.413 5.633 0 1 FKAF CCc1ccc([C@H]2Nc3ccccc3C(=O)N2[C@H](C)c2ccccc2)s1 206865289 CNNUXIFAUGMLRE-VFNWGFHPSA-N 362.498 5.638 0 1 FKAF CN(C)c1ccc(Nc2nc(C3C4CC5CC(C4)CC3C5)cs2)cc1 299821322 KEVHVVRWLPWHMH-UHFFFAOYSA-N 353.535 5.492 0 1 FKAF Fc1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccccc3)[nH]c2c1 473112516 FCALIUOERZRITC-UHFFFAOYSA-N 354.388 5.222 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(C(=N)N)ccc4[nH]3)cc2)CC1 586880076 KUKMAUGXGWSQTM-QAQDUYKDSA-N 374.532 5.978 0 1 FKAF CCCCC1CCC(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CC1 586886483 CCCUVKBCXGBCCL-UHFFFAOYSA-N 356.457 6.639 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2ccc3c(c2[nH]1)CCCC3 587065926 FIPVSIAQROUPRN-UHFFFAOYSA-N 354.881 5.415 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc(C5CC5)c4)nc13)-c1ccccc1C2=O 587099449 IWUWKLQFRCQARD-UHFFFAOYSA-N 361.444 6.299 0 1 FKAF Cc1ccc2c3c(cc(-c4ccccc4C(=O)O)nc13)-c1ccccc1C2=O 587101949 ROMJZDVNCPMPHS-UHFFFAOYSA-N 365.388 5.120 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C)c(F)cc3[nH]2)c1 587196481 XDGFRPPULCXRHH-UHFFFAOYSA-N 369.440 5.357 0 1 FKAF C[C@@H]1CCC[C@@H](C)C12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349768 GWCAFXWPKFWWAG-JZKQVHKSSA-N 354.421 5.085 0 1 FKAF C[C@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358376 XQOMPRYOBMIAHO-IFMALSPDSA-N 354.421 5.229 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(C)C[C@@H]2CC3)c1 587367833 XQPRCQYRHYYDST-IZHWHUGBSA-N 355.437 5.880 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)c(OC)c(Cl)c1)CC2=O 587458301 AEOJMLDAOSVGRP-NRFANRHFSA-N 374.864 5.196 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c3ccc(Cl)cc13)CC2=O 587458585 AKTARQPXTBDPJV-IBGZPJMESA-N 369.848 5.494 0 1 FKAF CC(C)c1ccc(C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601738 GVHBNEJVYVLKDB-FCHUYYIVSA-N 374.436 5.089 0 1 FKAF COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)(F)F)cc1 587623962 CNLGHWDJXFRDLH-UHFFFAOYSA-N 367.754 5.550 0 1 FKAF Cc1c([C@H](C)CN(C)C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626578 UNBLAHFSQFTPGE-MRVPVSSYSA-N 352.322 5.179 0 1 FKAF CC(C)c1c(-c2ccccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627599 FDAGROMPNGEWFM-UHFFFAOYSA-N 372.312 6.391 0 1 FKAF Fc1cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]c2cc1Cl 587627864 DMHXYOJZYHBLKW-UHFFFAOYSA-N 356.227 6.948 0 1 FKAF Cc1nc2c(C)cccc2c(Cl)c1Cc1c(C)[nH]c2cc(F)ccc12 587633678 JSCALNSJKTZDRC-UHFFFAOYSA-N 352.840 6.025 0 1 FKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(-c3ccc(F)cc3)c2c1 587650375 KKTWAAPGZMOIEE-UHFFFAOYSA-N 365.429 5.045 0 1 FKAF Cc1c(Cl)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587697401 VZIMREHUIYUILX-XYZCENFISA-N 368.677 5.174 0 1 FKAF Cc1cccnc1[C@@H]1CCC[C@]2(C1)NCCc1cc(-c3ccccc3)ccc12 962668705 QIAFXGFGHFRDQY-ZEQKJWHPSA-N 368.524 5.756 0 1 FKAF Cc1ccccc1[C@]1(C2CC2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962696987 AQLWMKKIWKOQQK-WZONZLPQSA-N 367.533 5.151 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(Cc2cc(Cl)cc(Cl)c2)N1 962949496 FWFSBMZKJQXWGQ-HRAATJIYSA-N 373.327 5.857 0 1 FKAF c1cncc(CN2CCc3sccc3[C@@H]2c2cc3c(s2)CCCC3)c1 962997184 KOYHLMFWIFDNTG-OAQYLSRUSA-N 366.555 5.231 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3Cl)cc(-c3ccccc3O)n2)cc1 1772570508 MQAJKPLUZIUKTI-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF CCCCC[C@@H](O)C=CC(O)=C(O)CC=CCCCCCCC(=O)O 2356313957 PBCZCSXKHMNACJ-QGZVFWFLSA-N 354.487 5.183 0 1 FKAF CC(C)C1=CC[C@]2(C)[C@H](O)CC[C@](C)(OC(=O)C=Cc3ccccc3)[C@@H]2C1 2356428188 AMEXRSNEDWSVJH-HTDNTCHWSA-N 368.517 5.155 0 1 FKAF CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(C)=CC(=O)O 2356467786 FCZDHYMKYYBHKU-JJJJLYANSA-N 362.510 5.140 0 1 FKAF COc1ccc2c(c1)N=C(C(C)C)N(Cc1ccccc1)[C@@H]2c1ccccc1 2382228070 VEWBBGPRDUWGJT-XMMPIXPASA-N 370.496 5.986 0 1 FKAF COc1cc(N[C@H](C)CCCN)c2nccc(/C=C/C3CCCCC3)c2c1 5929858 ZLGJEKZBEBWUKB-SXSDINLZSA-N 367.537 5.376 0 1 FKAF CCCN(CCC)CCCc1cccc(OC)c1OCCc1ccccc1 13795795 PAJNYZHSINMOLM-UHFFFAOYSA-N 369.549 5.371 0 1 FKAF Cc1cccc2c([C@H](O)[C@@H]3CCCCN3)cc(-c3ccc(Cl)cc3)nc12 27524201 PCDPGQIUKYMHHO-UGKGYDQZSA-N 366.892 5.039 0 1 FKAF Cn1c(-c2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1C(F)(F)F 29043424 GUZASEBJQZQWIM-UHFFFAOYSA-N 372.177 5.475 0 1 FKAF CCCCOCCCCCCCCCCCNc1ccc(C(=O)O)cc1 29216946 UQBDLKCFIXREDK-UHFFFAOYSA-N 363.542 6.124 0 1 FKAF Cc1c(F)ccc2c1NC(=O)[C@@]2(c1ccc(O)cc1)C1CCCCCC1 64548783 FHEMJIITRFNOJI-JOCHJYFZSA-N 353.437 5.048 0 1 FKAF CCCCCn1c(C(CC)CC)nc2c(NCc3ccccc3)ncnc21 82178680 FODMQZMOBVPGLC-UHFFFAOYSA-N 365.525 5.532 0 1 FKAF O=C(O)C[C@H](CC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 95572139 PRAVUEHOUSEHET-ZDUSSCGKSA-N 370.754 5.190 0 1 FKAF COc1ccc2[nH]cc(/C=C(\C)C(=O)Nc3ccc(C(C)(C)C)cc3)c2c1 103271134 YCHTWUCTXBNXMQ-NTCAYCPXSA-N 362.473 5.516 0 1 FKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCSC1 144738670 YIIBQCYDEMJLIF-HZPDHXFCSA-N 374.590 6.774 0 1 FKAF CCCCC/C=C\C=C\[C@H](O)C/C=C/C/C=C/C/C=C\CCCCC(=O)O 238785767 WCPFNHAOKQUJEV-HGXVOQDASA-N 374.565 6.524 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](C(=O)c3cccc(O)c3)CCC[C@@]21C 299864687 RVYPEKFRXBXYAO-VGVWEVKNSA-N 370.577 6.870 0 1 FKAF CCCCC1CCC(c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 586893466 YBZJWFBDJDGZOP-UHFFFAOYSA-N 371.269 6.068 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4cc(C)c(C)cc4[nH]3)c2o1 587004654 XYLOKAKOPKEDJY-UHFFFAOYSA-N 355.235 5.664 0 1 FKAF Clc1ccc(-c2cc(-c3nc4cncc(Cl)c4[nH]3)ccc2Cl)cc1 587048863 ZNEIVUZFHJOBHL-UHFFFAOYSA-N 374.658 6.252 0 1 FKAF Fc1cccc2c(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)n[nH]c12 587177354 FMQVJLLARQWBEA-UHFFFAOYSA-N 360.417 5.397 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](C1CCCCC1)CCC3 587206110 AMUBSROWUOIFND-QGZVFWFLSA-N 367.492 6.446 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3ccccc32)[C@H]1c1ccc(F)cc1 587347988 BVIIJBSPFYCMBI-UPVQGACJSA-N 374.411 5.122 0 1 FKAF CCCCCC[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358495 YRKFSCZQNAGTTI-JTHBVZDNSA-N 370.464 6.009 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3C)c1 587366879 NWGSCKXGXLQHLM-CYBMUJFWSA-N 357.409 5.275 0 1 FKAF CSC[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370487 XIRGZINEVDKKKX-GHTZIAJQSA-N 374.477 5.038 0 1 FKAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1-c1ccccc1 587399161 IXRAHZYHQDRNHR-DEOSSOPVSA-N 373.452 5.133 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc(-c4ccccc4)cc31)O2 587406338 GJBUMDJCDRUBMV-XMMPIXPASA-N 355.437 5.051 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3oc4ccccc4c3c1)CC2=O 587486029 WMJMNOCBUKGHDL-HSZRJFAPSA-N 372.420 5.951 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](c3ncccc3C)C1)CC2=O 587488560 PQPJEAUHJVDKTQ-HJPURHCSSA-N 365.473 5.110 0 1 FKAF O=C1C[C@]2(CCCC[C@H]2N2CCCCCC2)Oc2c1ccc1c2CCCC1 587514893 QCAYLUFLIKTHIG-VWNXMTODSA-N 367.533 5.088 0 1 FKAF CCCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515672 NXALUUCCSCYYSO-XMMPIXPASA-N 373.496 6.027 0 1 FKAF COC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 587630295 YBOKEXMMBSOKCM-UHFFFAOYSA-N 371.717 5.433 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(C(=O)C(F)F)c2c1 587641025 IFRGLRAUMLHYGM-LBPRGKRZSA-N 357.400 5.805 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(F)cc2)N1 587728273 AHLADZLPFVEPEV-ZAIXAGPMSA-N 364.233 5.016 0 1 FKAF FC(F)(F)COc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cn1 587920795 OGHRVDKOZMPXOD-UHFFFAOYSA-N 370.783 5.467 0 1 FKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587928982 FOIIDXZAZDAGJK-SCLBCKFNSA-N 364.342 5.175 0 1 FKAF C[C@@H](Cc1ccc2c(c1)OCO2)[C@H]1NCCc2cc(-c3ccccc3)ccc21 962657288 ALRBEGWHYYLYGY-SSOJOUAXSA-N 371.480 5.148 0 1 FKAF O=C(Nc1cccc(Cl)c1)N1CCc2ccccc2[C@@H]1c1ccccc1 1772570911 PESONCNHVSXMHZ-NRFANRHFSA-N 362.860 5.520 0 1 FKAF CC(C)C[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2c3cc4c(cc3CCN21)OCO4 1772622157 NIKSJNPDOOOIEM-NHCUHLMSSA-N 374.484 5.139 0 1 FKAF CC1=CC[C@]2(C)CC[C@H]([C@H](C)C(=O)O)[C@@H]2CC=C(C)[C@H]2CC[C@H](C)C2=CC1 2356644199 WKRVJDAEDJTSCC-ASHQPJCQSA-N 370.577 6.789 0 1 FKAF COc1ccc(Nc2nccc3c2cc(-c2ccccc2OC)n3C)cc1 74386904 UKMUYDSQRGFFLZ-UHFFFAOYSA-N 359.429 5.001 0 3 FKAF Cc1ccc(Cl)c(Nc2ccccc2C(=O)NOC(C)(C)C)c1Cl 13438029 WWZFRSNOVPDPTP-UHFFFAOYSA-N 367.276 5.505 0 1 FKAF CCCSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 13796282 HXYYZKGEOWXAKH-UHFFFAOYSA-N 364.580 6.008 0 1 FKAF CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3cccc(O)c3)cc12 14945738 MYMBBNWMHKYPLB-UHFFFAOYSA-N 361.367 5.232 0 1 FKAF Fc1cccc(CCNc2cc(-c3cccc(-c4ccccc4)c3)ncn2)c1 82162433 YIEAJLIGHNJDSV-UHFFFAOYSA-N 369.443 5.604 0 1 FKAF CC[C@H]1CCC[C@@]23CCN(CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 100800689 KAOWEHFUQIEFQN-UFONIEFXSA-N 353.550 5.190 0 1 FKAF CCCCCCc1cc2ccc(Cl)cc2n1C(=O)C[C@H](C)CC(=O)O 103270822 HIVUMAXJGBETMO-AWEZNQCLSA-N 363.885 5.559 0 1 FKAF O=C(O)CCC/C=C\C[C@@H]1[C@H](CSCC2CCCCC2)[C@H]2CC[C@H]1O2 261145873 NWFGCXFIIAQPKD-XNEDTRFQSA-N 366.567 5.295 0 1 FKAF O=C(CC1CCCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 299862684 KAZMUJDGQBGZCR-UHFFFAOYSA-N 358.551 5.520 0 1 FKAF CC(C)c1cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(O)c(C(C)C)c1 586895980 DQPRUQDSPFAXHU-UHFFFAOYSA-N 356.397 5.020 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(F)ccc(F)c1C3 586987132 AMIKCFJAFVGFDQ-UHFFFAOYSA-N 371.342 5.001 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cs2)o1 587016195 HPRZGKULKKVACF-UHFFFAOYSA-N 367.327 5.413 0 1 FKAF Brc1cccc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023907 RYAQBOQNUCSSLS-UHFFFAOYSA-N 362.277 5.177 0 1 FKAF Cc1ccnc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc12 587060935 WXEUPOADQSLMQC-UHFFFAOYSA-N 370.843 5.802 0 1 FKAF Cc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1Cl 587062213 FXTUZCSMUJEOBA-UHFFFAOYSA-N 367.279 6.436 0 1 FKAF CC(C)(C)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587117350 GEPZEVFSXNQRRL-UHFFFAOYSA-N 362.399 5.001 0 1 FKAF Cc1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(F)c1 587146508 OGDJPZUIJCPCGW-UHFFFAOYSA-N 373.147 5.459 0 1 FKAF COc1cccc(-c2cc(CCCC(C)C)nc3c2oc2ccccc23)c1 587366110 RSKNOKYBWNNWTB-UHFFFAOYSA-N 359.469 6.635 0 1 FKAF CCCc1c(O)ccc2c1O[C@H]([C@@H](C)Cc1ccc(C(C)C)cc1)CC2=O 587488706 KXABSGWEOCHLFH-HJPURHCSSA-N 366.501 5.681 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)Sc1ccc(C)cc1)CC2=O 587493530 RSJNVDQJGCMFSB-FQEVSTJZSA-N 370.514 5.558 0 1 FKAF C[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587506584 KKSBGEQVYQKVQD-FQEVSTJZSA-N 360.375 5.465 0 1 FKAF O=C1C[C@@H](c2cccc(-c3ccccc3)c2)Oc2c1ccc1c2CCCC1 587523428 IRDXATPOVRJFKX-DEOSSOPVSA-N 354.449 5.939 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C)CC(C)(C)C2)N1 587819370 HPBFTPNUGVICTJ-GFCCVEGCSA-N 368.334 5.554 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCC3(CC2)CC3)N1 587823651 QTSDYKVIGGYQJF-DIFFPNOSSA-N 352.291 5.134 0 1 FKAF CCCC[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824606 XSVBIEPXSSZWDA-RVZJWNSFSA-N 354.307 5.308 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2Cl)N1 587848062 ZDCVGIZIHMYICT-AYVTZFPOSA-N 374.706 5.101 0 1 FKAF Fc1ccc2c(c1)-c1cc(n(-c3nccc(-c4cc5ccccc5o4)n3)n1)O2 587874434 AHVJOCJQROQNSR-UHFFFAOYSA-N 370.343 4.987 0 1 FKAF CC[C@H](OC(=O)c1ccccc1)c1nc(-c2ccc(C)c(C)c2)cs1 587920353 GAPLBFLQORTWBM-IBGZPJMESA-N 351.471 5.735 0 1 FKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccoc3)n2)cc1 587923350 NDJJLCWDJRVJON-UHFFFAOYSA-N 360.413 6.358 0 1 FKAF CC[C@@H](C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587956485 RTZGKTCHVSPODW-GFCCVEGCSA-N 359.267 5.418 0 1 FKAF CCOC(=O)N1CCc2ccccc2Cc2sc3ccccc3c2CC1 653761022 ZBPNGKUYZAIANH-UHFFFAOYSA-N 365.498 5.049 0 1 FKAF CCCC[C@@]1(c2ccc(O)cc2)c2cccc(Br)c2CCN1C 963281388 RXYYBVJKPNFALL-HXUWFJFHSA-N 374.322 5.076 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@H]1CCc2cc(O)ccc2O1 2356497025 WSTGHGHPTQPFAP-DEOSSOPVSA-N 368.561 7.285 0 1 FKAF CC1=C[C@H](c2c(O)cc(C=Cc3ccccc3)oc2=O)[C@H](C(C)C)CC1 2356729899 QNJUNTVTYKUFSX-PMACEKPBSA-N 350.458 5.612 0 1 FKAF c1ccc2c(C[C@@H]3CNCCN3CCCCC3CCCCC3)cccc2c1 61948907 HGBVHOKAEPDUAO-XMMPIXPASA-N 364.577 5.407 0 3 FKAF CCCCC[C@@H](O)CCC[C@@H](CCCc1ccc(C(=O)O)cc1)C(C)=O 27076163 NWAXWKDLBCWWIE-TZIWHRDSSA-N 362.510 5.024 0 1 FKAF CCCCCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27557344 MHABHCAJOQWEKI-CGTJXYLNSA-N 374.546 5.618 0 1 FKAF Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC(C)C)cc1 28222970 WRRCDFGNQSIJIL-UHFFFAOYSA-N 374.506 5.563 0 1 FKAF Clc1cccc2ccc(N[C@H]3CCC[C@H](NCc4ccsc4)C3)nc12 28951007 VQESGCHIQRXXSM-IRXDYDNUSA-N 371.937 5.463 0 1 FKAF Fc1ncccc1-c1cnc(N(Cc2ccccc2)c2ccccc2)s1 71329672 MMCJCXDIZYOCBE-UHFFFAOYSA-N 361.445 5.683 0 1 FKAF COc1ccc(-c2nc(CN(Cc3ccccc3)C(C)(C)C)co2)cc1 72103699 ODCOYVLXKLPODS-UHFFFAOYSA-N 350.462 5.151 0 1 FKAF c1coc(-c2nc(NC3CCCC3)ncc2-c2nc3ccccc3s2)c1 82165316 UDUYVEOOZWXGOA-UHFFFAOYSA-N 362.458 5.368 0 1 FKAF Cc1nc(-c2cnc(NCc3ccccc3)nc2-c2ccco2)sc1C 82166158 HWHBMPCLQQEIJC-UHFFFAOYSA-N 362.458 5.089 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(F)(F)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141911482 DFGLPELJDUAWTE-RFOVXIPZSA-N 371.515 6.753 0 1 FKAF CC(C)CNC(=O)/C=C\CCCCCC/C=C/c1ccc2c(c1)OCO2 213244784 DOGZABSTLUIXJO-IXIPZQGVSA-N 357.494 5.098 0 1 FKAF Fc1ccc(-c2ccccc2-c2nc3cc4ccccc4cc3[nH]2)cc1F 587144556 AJDCIKMQFXTRLO-UHFFFAOYSA-N 356.375 6.328 0 1 FKAF Cc1cccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587157584 APBCNPJPUHJNOH-HXUWFJFHSA-N 366.823 5.832 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2n1 587159331 YTLPWCKUVNDUBQ-UHFFFAOYSA-N 373.431 5.541 0 1 FKAF Cc1cnc(Cl)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12 587192769 CFMHEYIVUDQPLD-UHFFFAOYSA-N 362.864 5.127 0 1 FKAF COc1ccc(Oc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587213097 FZRPFAZSHYRETE-UHFFFAOYSA-N 353.421 5.801 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2c(C)cnc(Cl)c2[nH]1 587240347 CMQISICMOVYSBJ-UHFFFAOYSA-N 364.836 5.339 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 587249687 DHEDLHVTQQMUBH-UHFFFAOYSA-N 355.775 5.411 0 1 FKAF COc1cccc(-c2cc(-c3ccccc3N)nc3c2oc2ccccc23)c1 587362675 JFSLJFOYAUQZKO-UHFFFAOYSA-N 366.420 5.906 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cnc(C(CC)CC)s1)CC2=O 587495192 NUEFOWQVHDJZBF-KRWDZBQOSA-N 359.491 5.411 0 1 FKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1ccc(O)cc12 587529371 ARMUFXQSTWJKJU-RUZDIDTESA-N 368.432 5.160 0 1 FKAF O=C1C[C@H](c2ccc(-c3cccs3)cc2)Oc2c1ccc1c2CCCC1 587532404 QLIUAFTYHDFTCM-OAQYLSRUSA-N 360.478 6.000 0 1 FKAF CCCOc1cccc([C@@H]2c3ccsc3CCN2Cc2ccco2)c1 962712675 NTASSWXCUZUMAM-OAQYLSRUSA-N 353.487 5.278 0 1 FKAF CCCN1[C@@H](c2ccc(O[C@H](C)CC)c(OC)c2)c2ccccc2C[C@H]1C 963241155 LYOPRGVRYTUJLJ-GGUMNFRJSA-N 367.533 5.619 0 1 FKAF Oc1ccccc1-c1cc(-c2cccc(Cl)c2)nc2c1oc1ccccc12 1772625319 IRKAIQDJAVQNPN-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF CC(=O)c1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1 1857570519 DLTOUHYAOSUGTN-UHFFFAOYSA-N 370.861 5.915 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)nc3c2oc2cc(O)ccc23)cc1 1857761208 NHZZYFQXGPHQMN-UHFFFAOYSA-N 353.377 5.726 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@@H]3CCC4=CN(CC(=O)O)CC=C4[C@@]3(C)CC[C@H]12 2356854395 ROIGGZDZSZEDCH-DAVBRLECSA-N 357.538 5.240 0 1 FKAF Clc1ccc(-c2cc(C3CCN(Cc4ccccc4)CC3)n[nH]2)cc1 837042 VCKOBAOVBZHUOW-UHFFFAOYSA-N 351.881 5.110 0 1 FKAF Oc1cc(CCCc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl 16052305 MJRPBNSOVIMDHN-UHFFFAOYSA-N 373.279 6.667 0 1 FKAF in-vivo O=C(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 28571105 JWGLGQHIGMBQRK-GOSISDBHSA-N 366.873 5.393 0 1 FKAF CCC[C@@H](O)CC[C@@](C)(O)CC/C=C(\C)CCC1=C(C)CCCC1(C)C 40980370 QFNAZHJHBGQQAF-QRWLZIASSA-N 364.614 6.712 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1)[C@@H](SC1CCCCC1)n1ccnc1 45357239 AIFQXDRBVDUMGY-RBUKOAKNSA-N 364.942 5.879 0 1 FKAF S=c1oc(-c2ccc(OCc3ccccc3)cc2)nn1Cc1ccccc1 45388341 HBPVVLLQXQEGON-UHFFFAOYSA-N 374.465 5.500 0 1 FKAF CCCCCn1c(CCC)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188748 LQQNGNKUROYUDS-QGZVFWFLSA-N 365.525 5.185 0 1 FKAF CN1[C@H]2CC[C@H]1CC(=CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100897400 OCVGKOKAQNBCSV-VXKWHMMOSA-N 369.455 5.254 0 1 FKAF O=C(Nc1nc2ccc(-c3ccccn3)cc2s1)[C@H]1C[C@@H]1c1ccccc1 103290037 SZGHEGNWCACYLN-SJORKVTESA-N 371.465 5.101 0 1 FKAF CCc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 113656177 LFEWFIMPGRKMKG-UHFFFAOYSA-N 367.496 5.569 0 1 FKAF Cc1cccc(Nc2nc(-c3ccc(-c4cccnc4C)cc3)cs2)n1 145305167 XMXFDSFESXMXNU-UHFFFAOYSA-N 358.470 5.628 0 1 FKAF CC(C)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 150271063 VCSVDWFKLIDQQW-UHFFFAOYSA-N 352.909 5.140 0 1 FKAF CCOC(=O)c1ccc(NC2CCCCC2)c(NCc2cccc(F)c2)c1 205337316 ULKWXFZFOSRYMM-UHFFFAOYSA-N 370.468 5.359 0 1 FKAF CCCN(CCC)c1cc(NC(=O)c2cccs2)cc(C(F)(F)F)c1 299834807 CKOFIJSHLRUTLE-UHFFFAOYSA-N 370.440 5.646 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(Br)c(F)ccc4[nH]3)cc2)o1 586903563 QYIFABDAHRWFRU-UHFFFAOYSA-N 371.209 5.700 0 1 FKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cncc(Cl)c4[nH]3)c2)c1 587051147 XZIQENDGYAZEOX-UHFFFAOYSA-N 368.223 5.411 0 1 FKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Cl)ncc(C)c2[nH]1 587066603 OIXZYULINWODOC-UHFFFAOYSA-N 357.244 5.339 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc3ncccc3c2[nH]1 587073674 JIUIOBUURIJAGT-UHFFFAOYSA-N 369.855 6.407 0 1 FKAF Clc1cc2ccc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cc2cn1 587085286 QSLHUFHFKOJMPZ-UHFFFAOYSA-N 371.827 6.224 0 1 FKAF Cc1cccc2c1OCCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587209881 WAEHSWMWRNSKTD-UHFFFAOYSA-N 363.416 5.357 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4ccccc4)cc1)[C@@H](C2)C3=O 587440518 BREROICZXUJVTR-GBXCKJPGSA-N 372.420 5.150 0 1 FKAF O=C1C[C@H]([C@H]2CCC[C@@H](C(F)(F)F)C2)Oc2c1ccc1c2CCCC1 587510681 XIMNZSMVFWPNFG-PMUMKWKESA-N 352.396 5.268 0 1 FKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(C)C 587521907 DELCVOQQZWRXGU-JOCHJYFZSA-N 350.458 5.404 0 1 FKAF O=C1C[C@H](c2cccc3c2oc2ccccc23)Oc2c1ccc1c2CCCC1 587536219 SEBNMNLYEYHWEU-HSZRJFAPSA-N 368.432 6.171 0 1 FKAF O=C(O)c1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(Cl)c(Cl)c1 587629086 ZURVVGLTHUQSHK-UHFFFAOYSA-N 358.583 5.632 0 1 FKAF CCc1ccc(-c2[nH]c3ccc([C@@H](C)CC)cc3c2N2CCOCC2)cc1 587644282 SQVRCHHCQVWJSQ-KRWDZBQOSA-N 362.517 5.747 0 1 FKAF CC[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587812652 KDBPAUCAIMUWDE-BFUOFWGJSA-N 362.286 5.084 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC3CCC2CC3)N1 587819082 KXVAJPNSFYDGON-MOJFQLKYSA-N 366.318 5.164 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1Cc1ccccc1C(F)(F)F 587871195 PYZAWOMDPQULRJ-UHFFFAOYSA-N 364.342 5.155 0 1 FKAF c1ccc(-c2cccc3c2[C@@H](c2ccc([C@@H]4CCCCO4)o2)NCC3)cc1 962658470 CRUMKBFZOFVJSF-GBXCKJPGSA-N 359.469 5.423 0 1 FKAF Cc1sc2c(c1C)CCN[C@@]2(c1ccc(C(F)(F)F)cc1)C(C)C 963004396 CLTOXHKIWWMGED-GOSISDBHSA-N 353.453 5.429 0 1 FKAF CC(C)=CCOc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 1772622762 VPRSOIVEHRNQLT-UHFFFAOYSA-N 364.367 5.694 0 1 FKAF CC(=O)OCC(C)=CCC[C@]1(C)[C@H](C(=O)O)CC2=CCCC(C)(C)[C@]21C 2356635867 MZJHIEFGBFMJBU-BWAGFHJFSA-N 362.510 5.140 0 1 FKAF Clc1cccc(Cc2c(C3CCCCC3)nc3ccc(Cl)cn23)c1 72134937 ZAKCKFAAWQDKAF-UHFFFAOYSA-N 359.300 6.280 0 3 FKAF CCc1c(-c2ccc(Cl)cc2)ncn1Cc1cccc(-c2ccccc2)c1 95565974 OSTNFFDGMQVKCQ-UHFFFAOYSA-N 372.899 6.481 0 3 FKAF C[C@@H](c1c[nH]c2ccccc12)c1c(-c2ccccc2)n(C)c2ccccc12 203451331 OBLBATHWGAJNQC-KRWDZBQOSA-N 350.465 6.478 0 3 FKAF O=C(Nc1ccc2ccccc2c1)[C@H](Nc1ccccc1)c1ccccc1F 206050073 FDKWFIONBWOYFK-HSZRJFAPSA-N 370.427 5.771 0 3 FKAF COc1ccc(C2=Nc3cc(C)c(C)cc3N[C@H](c3ccccc3)C2)cc1 5552882 PSIQDUJCLJWDIA-NRFANRHFSA-N 356.469 5.990 0 1 FKAF COc1ccc(C[C@H](C)NC[C@H](c2ccccc2)C2CCCCC2)cc1 27767512 FUMNVHCGJLULAQ-YADARESESA-N 351.534 5.580 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](O)[C@H]1CCC(=O)O1 28340021 OTJVMNKQLGLEDZ-PQCFQPKDSA-N 358.522 5.585 0 1 FKAF c1cc2c(c(OCCCN3CCCCC3)c1)N(CC1CCCCC1)CCC2 53274840 WIMJJLGIFLKKTM-UHFFFAOYSA-N 370.581 5.274 0 1 FKAF CCCC[C@H](C)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(C)[C@H](O)C3)CCC[C@@]21C 96142493 MGADROAPTBMHLU-HIXSQJIYSA-N 374.609 6.034 0 1 FKAF COc1cc2c(cc1[C@H](C)OC/C=C/c1ccccc1)C=CC(C)(C)O2 96932032 WCUJEGHLDNDLPJ-YRYLYKBFSA-N 350.458 5.670 0 1 FKAF c1ccc(-c2cc3nc(-c4ccccc4)[nH]c(N4CCCCC4)c-3n2)cc1 100867699 HPWUFPQHXPUHAQ-UHFFFAOYSA-N 354.457 5.234 0 1 FKAF c1ccc2c3nc(C4CCCC4)nc-3c(Nc3ccc4c[nH]nc4c3)[nH]c2c1 101043082 XBNGMRYJZRQQGJ-UHFFFAOYSA-N 368.444 5.340 0 1 FKAF OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@@H](C1)N2Cc1coc2ccccc12 101185309 CNNRPXDUHKLPGW-OALUTQOASA-N 367.876 5.101 0 1 FKAF O=C(O)c1cc(-c2ccccc2COc2cccc3ccccc23)ccc1O 103239711 ZWAOIWQNUZPWCR-UHFFFAOYSA-N 370.404 5.490 0 1 FKAF CCOc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc3ccccc3n21 103539394 GQFDTRJBMIHILA-NRFANRHFSA-N 359.429 5.107 0 1 FKAF Cc1cncc(C2=CC[C@H]3[C@@H]4C[C@H](O)[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)c1 141006910 COMPHWCPGLBRDR-CAIKASPOSA-N 365.561 5.787 0 1 FKAF COc1ccc([C@@H]2CC(=O)[C@H]3Sc4cc(Cl)ccc4N=C3C2)cc1 169715488 KTGZZKRFWDJBJL-BUXKBTBVSA-N 357.862 5.042 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@]45C[C@@H]4[C@H](O)CC[C@]35C)[C@@H]1CC=C2c1cccnc1 203685731 GKUYVJJRTHIXJZ-BDEJIVKZSA-N 363.545 5.479 0 1 FKAF CSc1ccc([C@@H]2CN3CCC[C@H]3c3c(Br)cccc32)cc1 261138387 MPPAAPYUXHGYGD-WMZOPIPTSA-N 374.347 5.453 0 1 FKAF CN(C)CCOc1ccc([C@@H](c2cccc(Cl)c2)c2cccs2)cc1 299861404 LEMUZZUYFLODAC-NRFANRHFSA-N 371.933 5.522 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 586880161 DNRUJZAPVGQCBT-UHFFFAOYSA-N 361.258 5.819 0 1 FKAF COc1cccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c12 587014280 KUJPYNKJBXTZPU-UHFFFAOYSA-N 355.850 5.324 0 1 FKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(cnc3ccccc32)[nH]1 587066873 UBBXFMNIBJOURQ-UHFFFAOYSA-N 358.832 5.531 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 587070751 WJNGLQCRVGIMNB-MRVPVSSYSA-N 352.743 5.010 0 1 FKAF Clc1ccc(CN2CCC[C@H]2c2nc3cc4ccccc4cc3[nH]2)cc1 587075303 HJYYMULVSNCUMN-NRFANRHFSA-N 361.876 5.707 0 1 FKAF Cc1c(Br)cc2nc(-c3ncccc3C(F)(F)F)[nH]c2c1C 587108351 JGCMQVAOFRMRRX-UHFFFAOYSA-N 370.172 5.023 0 1 FKAF CC[C@@H]1C[C@H](C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349667 COJZHFQBBSCSCT-DVNWIIOXSA-N 368.448 5.475 0 1 FKAF CC1(C)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353940 PPVCEFIQPYNXGV-IBGZPJMESA-N 354.421 5.229 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c1sc1ccccc13)O2 587414581 NCIHPZBIUZRLQN-LJQANCHMSA-N 359.450 5.652 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(Cl)ccc31)CC2=O 587463715 XLGCMARTAACPJI-OAQYLSRUSA-N 356.849 5.195 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)c(F)c1)(C(C)C)CC2=O 587467465 SINAMXCIBFBNNW-OAQYLSRUSA-N 360.400 5.140 0 1 FKAF O=C1C[C@@]2(CCC[C@@H]2c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587504080 IFBPSWXJELPHPA-AUSIDOKSSA-N 366.888 5.891 0 1 FKAF O=C1C[C@@H](c2cccnc2-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587505265 IARZIINTMPRCKN-QFIPXVFZSA-N 373.427 5.473 0 1 FKAF CC(C)(C)OC(=O)Nc1c(C2CCOCC2)[nH]c2cc(Cl)c(F)cc12 587631408 LJEPYBNHIXIYBY-UHFFFAOYSA-N 368.836 5.201 0 1 FKAF CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1-c1ccc2ccccc2n1 587632787 PZBQMWXYMNWRQG-UHFFFAOYSA-N 368.795 5.352 0 1 FKAF Fc1ccc2c(-c3ccc(Br)cc3)c(C(F)(F)F)[nH]c2c1 587633575 GWONPKHBAXNLOM-UHFFFAOYSA-N 358.132 5.755 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/C2CCCCC2)N1 587814043 FQIUTHLMKQWVDD-QUEUSCEUSA-N 366.318 5.474 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@H]2C[C@H]3CC[C@H]2C3)N1 587816659 ZOTFBJOAVLLAKV-MPLJDPDJSA-N 366.318 5.164 0 1 FKAF Cc1ccccc1C1CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587816727 CEOKQGSLTAYFRF-JUJQQSPASA-N 374.297 5.204 0 1 FKAF CCC1(C)CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587820138 YEDDCUMZOQJHFQ-KAMYHZANSA-N 354.307 5.308 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc(Cl)c(F)cc4[nH]3)ccc2c1 587934320 JHSWKKVQLNQERE-LLVKDONJSA-N 354.812 5.669 0 1 FKAF Clc1ccnc2c1CCC[C@]21c2ccsc2CCN1Cc1ccco1 962709471 NSCCSJPPJIZINX-FQEVSTJZSA-N 370.905 5.028 0 1 FKAF CC(C)Oc1ccccc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772651495 UAOUDKXSYDSCTE-GOSISDBHSA-N 367.470 5.204 0 1 FKAF FC(F)(F)c1ccc(Cn2nc(-c3ccccc3)c3ccccc32)cc1 1857586557 JQECSTNGZKIEFH-UHFFFAOYSA-N 352.359 5.770 0 1 FKAF C=C[P@@](=O)(Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)O)OCC 1857599256 NXUJCNOIYBLKQP-QFIPXVFZSA-N 371.782 5.552 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@H]1CC3 2356392241 VJUBACISBRYKMB-NAXNPRBQSA-N 370.621 6.919 0 1 FKAF CC(=O)O[C@@H]1OC(=O)C2=CCC=C(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@H]21 2356566878 YFMNECJVGMKBNA-QWJIHBKKSA-N 360.494 5.104 0 1 FKAF Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)CCc1ccccc1 95568337 GOGIGBZOEFMTAL-XMMPIXPASA-N 372.512 5.158 0 3 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)n2cncn2)C(C)(C)CCC1 13586654 RZKOGSKZEKBEDG-DZBDEXCTSA-N 351.494 5.450 0 1 FKAF COc1ccc([C@@H]2N=C(CCc3ccccc3)N(C)Cc3ccccc32)cc1 13600296 XHOFALWHFBGANP-VWLOTQADSA-N 370.496 5.261 0 1 FKAF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](SC(C)=O)CC[C@H]12 17325188 RVOGPLZAOZWWPL-YXIAPDDASA-N 372.530 5.116 0 1 FKAF biogenic CC[C@]1(CC(=O)O)CC[C@H](Cc2ccccc2)c2c1[nH]c1c(C)cccc21 26291048 QQXXLYSSGPILMY-HOYKHHGWSA-N 361.485 5.719 0 1 FKAF CCCCCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1 27078251 USKCVZBAQVGJML-UHFFFAOYSA-N 373.449 5.485 0 1 FKAF CC(=C/C(=O)O)/C=C/[C@@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C 37865648 BOOOLEGQBVUTKC-ODSZQBQNSA-N 352.518 5.900 0 1 FKAF CC[C@H](C1CC1)n1cc(Cl)nc(N(CC)c2cc(C)c(C)cc2C)c1=O 43121765 KGUVKVMTPQMGGN-QGZVFWFLSA-N 373.928 5.341 0 1 FKAF Fc1cccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1 73169954 LJQVSABKPVFCTG-UHFFFAOYSA-N 354.772 5.286 0 1 FKAF O=c1c(-c2ccc(F)cc2)c(-c2ccnc(Cl)c2)oc2ccccc12 84668586 BYBFWIAMPFYHEX-UHFFFAOYSA-N 351.764 5.315 0 1 FKAF COc1cc2c(cc1[C@@H](C)N(C)CCCc1ccccc1)C=CC(C)(C)O2 96932105 VPDDRYWFFSXXSV-GOSISDBHSA-N 365.517 5.505 0 1 FKAF CC[C@@H]1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 98081813 KGUVKPUXAPIJSW-FQEVSTJZSA-N 354.538 5.104 0 1 FKAF Cc1ccccc1NC1=NN=Cc2cc3ccc(Cl)c(C)c3nc2S1 98084153 MJVIQGZDOVVSSH-UHFFFAOYSA-N 366.877 5.413 0 1 FKAF C[C@@H](NC(=O)[C@@]1(C2CCCC2)CC1(Cl)Cl)c1ccc(Cl)cc1 103293197 FCBPAVBVTODMLA-BZNIZROVSA-N 360.712 5.271 0 1 FKAF CCCCCOC(=S)S[C@@H](Cn1ccnc1)c1ccc(Cl)cc1 169322128 BPCBBYPKXOHUQY-INIZCTEOSA-N 368.955 5.503 0 1 FKAF C/C(=C\C/C=C(\C)[C@@H](C)CC(=O)c1ccc(O)cc1O)Cc1cc(C)co1 205845289 BULFJIKGJJCXFJ-PUYGEZBCSA-N 368.473 5.734 0 1 FKAF c1ccc(COc2ccc3nc(CSCc4ccsc4)[nH]c3c2)cc1 587025392 JTTDQNSKHNGDSQ-UHFFFAOYSA-N 366.511 5.637 0 1 FKAF FC(F)(F)Sc1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587034445 FXCROGSYAMZERJ-ZDUSSCGKSA-N 370.421 5.093 0 1 FKAF FC(F)(F)Sc1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587036527 DTWMLAWFDCCEEW-CYBMUJFWSA-N 372.462 5.615 0 1 FKAF FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3ccc(Cl)cc3)[nH]c2c1 587070745 WFLDWFXVHWOLQY-UHFFFAOYSA-N 364.676 5.921 0 1 FKAF Cc1ccc2c(ccc3nc([C@@H](C)c4ccccc4C(F)(F)F)[nH]c32)n1 587098630 RDFOOKMEUCBYJT-LBPRGKRZSA-N 355.363 5.590 0 1 FKAF COc1ccc(C)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106505 IJBMDGCADRDMTF-UHFFFAOYSA-N 351.405 5.430 0 1 FKAF COc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1C 587112281 LFGTYULRNIZWFH-UHFFFAOYSA-N 357.335 5.114 0 1 FKAF Cc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1F 587137306 YOYLXEKQMWZDPW-UHFFFAOYSA-N 357.585 5.232 0 1 FKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cccc(Cl)c3[nH]2)cc1F 587149428 HAGSCXHQLWYJMS-LJQANCHMSA-N 370.786 5.663 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587170849 UNEVUYAGQNMTKB-VIFPVBQESA-N 372.362 5.756 0 1 FKAF CCC[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358409 XVKBWXIDSMRYCS-IRLDBZIGSA-N 356.437 5.475 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(c1c(C)cc(C(C)(C)C)cc1C)[C@@H](C2)C3=O 587444400 DHONRYZXAUQOJW-UUOWRZLLSA-N 364.485 5.272 0 1 FKAF CCCc1cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)ccc1OC 587476943 GUUUSWQLVRZACJ-OAQYLSRUSA-N 354.446 5.012 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(OC(C)C)cc1)CC2=O 587482760 JDXGHJBYVXGBLI-QHCPKHFHSA-N 368.473 5.403 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1cccc(C)c1)(C(C)(C)C)CC2=O 587491265 VLFKYSJLESZBOH-HSZRJFAPSA-N 352.474 5.560 0 1 FKAF O=C1C[C@H](CCc2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587510626 WOOSTEZPWWXPNJ-KRWDZBQOSA-N 374.402 5.551 0 1 FKAF CCCCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520463 BZCICJHTGZUYBO-HSZRJFAPSA-N 364.485 5.841 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)Nc1ccccc1C(F)(F)F 587624728 TUEZTIGTSBZNOK-UHFFFAOYSA-N 366.770 5.709 0 1 FKAF C[C@@H](C1CCCCC1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587811894 IFDIGVDBORLFBZ-NQCMUKECSA-N 368.334 5.554 0 1 FKAF CCCC[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587818886 GEWBIGIUHPYECB-DFHBCGBQSA-N 354.307 5.308 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cccc(F)c4[nH]3)c2C)c(OC)c1 587930190 QTGXBUBBZVTRLG-UHFFFAOYSA-N 362.404 5.362 0 1 FKAF Cc1ccnc2c1CCN[C@H]2c1ccc(-c2cc(Cl)cc(Cl)c2)cc1 963073289 POCQPSJCIZIYPN-FQEVSTJZSA-N 369.295 5.599 0 1 FKAF Cc1cccc(C2(c3cccc(C)c3)c3c(F)cccc3C[C@H]3CCCN32)c1 963117954 ZSHXNJAMURNFPP-HSZRJFAPSA-N 371.499 5.755 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(SCC(C)C)cc1 963228650 MHYHEFXRWPRZOR-WZONZLPQSA-N 353.575 6.181 0 1 FKAF CC1=C(O)[C@](C)(CCCCC[C@H](C)CCCCc2ccc(O)cc2)OC1=O 2356307308 RMZWDKIGRKKONG-SBUREZEXSA-N 374.521 5.839 0 1 FKAF CC=CCCC=CC=CC=CC=CC=CC=Cc1cc(OC)cc(=O)o1 2356408767 OKPDDZOFQVFXCZ-UHFFFAOYSA-N 350.458 5.799 0 1 FKAF Fc1ccc2cnc(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)c2c1 36388759 UFHDBKJBFWWCON-UHFFFAOYSA-N 367.345 6.727 0 3 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2n3c(nc4ccccc43)CCC[C@]12C 5597098 DJCDFKDZUBBRSO-JDCWHPJTSA-N 352.566 6.792 0 1 FKAF CCC(=O)Nc1ccc2c(c1)[C@H](c1ccccc1)Oc1cccc(OC)c1-2 26174984 DYDOIAFFGMROAL-QHCPKHFHSA-N 359.425 5.193 0 1 FKAF Cc1cc(OCCCCCCCCCC(C)(C)CO)c(C)c(C)c1O 27425396 QHUGKHHHEWCKDD-UHFFFAOYSA-N 350.543 5.836 0 1 FKAF CCN1CCN(c2nc(-c3ccccc3Cl)cc3cc(C)ccc23)CC1 27520153 AVUOXRCFRFRWNP-UHFFFAOYSA-N 365.908 5.006 0 1 FKAF CCn1cc/c(=N\c2cccc(CCc3ccc(OC)cc3)c2)c(Cl)c1 43024709 NJJRYIAJAAOJOA-ZNTNEXAZSA-N 366.892 5.188 0 1 FKAF CCCCCCOc1ccc(-c2ccc(C(=O)CCN(C)C)cc2)cc1 43072734 MNCVIWUMQIDQDU-UHFFFAOYSA-N 353.506 5.447 0 1 FKAF Clc1cccc(CN[C@H]2CCCC[C@@H]2NCc2cccc(Cl)c2)c1 66080222 GRZTZGHRHOSRLV-PMACEKPBSA-N 363.332 5.184 0 1 FKAF CCCC[C@@]12Cc3ccccc3[C@@H](O1)c1c(cc(-c3ccccc3)oc1=O)O2 66104289 JYTKYEDYGNDYLU-VWNXMTODSA-N 374.436 5.248 0 1 FKAF Cc1cccc(C)c1-c1cccc(CCc2ccc(CCC(=O)O)cc2)c1 66123525 NGIRMRBISULAII-UHFFFAOYSA-N 358.481 5.773 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2cccc(OC(F)(F)F)c2)n1 72102266 IMTLXOVFMOTABY-CYBMUJFWSA-N 356.388 5.299 0 1 FKAF CCCOc1ccc(-c2nc(OCC(C)(C)C)c3ccccc3n2)cc1 95771645 INACSMBJGUKTIL-UHFFFAOYSA-N 350.462 5.511 0 1 FKAF c1ccc2c(Nc3ccc(Nc4ncnc5ccccc45)cc3)ncnc2c1 103280479 QASMZYQSVLOEGI-UHFFFAOYSA-N 364.412 5.060 0 1 FKAF COc1ccc(Nc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1 103292452 CSRDRRIAJBLMPS-UHFFFAOYSA-N 359.351 5.223 0 1 FKAF O=C(Nc1nc2ccc(-c3cccnc3)cc2s1)[C@H]1C[C@@H]1c1ccccc1 103294174 RNUSCQGPUILDPO-MSOLQXFVSA-N 371.465 5.101 0 1 FKAF COc1cc2c(c(OC)c1)[C@H](c1ccc(Cl)cc1)C1=C(O)CCCC1=N2 103638224 BERCNVNJBWOYBG-LJQANCHMSA-N 369.848 5.571 0 1 FKAF COc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1Cl 586980488 SYOYZYDKEFXZSE-UHFFFAOYSA-N 372.049 5.308 0 1 FKAF FC(F)(F)c1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cn1 587084274 WKTAFYXAWMOUQH-UHFFFAOYSA-N 374.753 5.359 0 1 FKAF COc1c(F)cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1F 587134379 QJRIOXHEKUJUDA-UHFFFAOYSA-N 368.408 5.668 0 1 FKAF Cc1c(Br)cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1C 587161715 QAUNUKFKPOXCOK-UONOGXRCSA-N 359.242 5.352 0 1 FKAF CC(C)Cc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587206016 JGABMIXNNYLTEV-UHFFFAOYSA-N 363.460 6.312 0 1 FKAF CCOC(=O)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587362790 KGKDXQPPQMBZLT-UHFFFAOYSA-N 361.397 5.142 0 1 FKAF CCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1[C@H](C)CC 587364472 ARNZIEJYSYQYHB-OAHLLOKOSA-N 359.469 6.733 0 1 FKAF CCO[C@@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587366622 XLAVAFWABQHDHL-HXUWFJFHSA-N 373.452 6.071 0 1 FKAF Cc1cccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527117 YJILGOOBGOKFKQ-AREMUKBSSA-N 368.476 5.783 0 1 FKAF CC(C)[C@@]1(c2cc3ccccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587533331 PMSIJXGLUYTDDH-XMMPIXPASA-N 360.453 5.828 0 1 FKAF CC(C)(C)Sc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533358 SIFCHOZJZCEWOW-NRFANRHFSA-N 366.526 6.163 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)c2ccccc2)N1 587818799 JZDHQMOHTQWFHU-KPZWWZAWSA-N 362.286 5.141 0 1 FKAF CCC[C@@H]1CC(C)=C[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587820244 ZHZKBTVBDFUOBL-KSMMKXTCSA-N 366.318 5.474 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CCCCCC2)N1 587820943 RJPJYUGWSFFYHY-KZULUSFZSA-N 354.307 5.308 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(C)c(C)cc4[nH]3)c2C)c(OC)c1 587929300 MJEOWCCAEYDIFD-UHFFFAOYSA-N 372.468 5.839 0 1 FKAF CC(C)(C)Oc1ccc(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587946039 RQWXSIGHSIRSQD-QGZVFWFLSA-N 357.425 5.325 0 1 FKAF COc1ccc(-c2ccccc2C)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772643562 GYNQKUHQHVVVEQ-GOSISDBHSA-N 367.470 5.042 0 1 FKAF O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2ccccc2c1 1911580417 IHQHCVHDQLNOFY-UHFFFAOYSA-N 373.839 6.602 0 1 FKAF CC=C[C@@H]1OC(=O)C=C[C@H]1OC(=O)C=CC(C)=C[C@H](C)CCCCCC 2356564797 CQTZIHSZGZYODO-YZGWKJHDSA-N 360.494 5.065 0 1 FKAF O[C@@H](c1ccc(Cl)c(F)c1)c1nc(-c2cccc3ccccc23)c[nH]1 61907061 ALAIFMGIAKZINV-IBGZPJMESA-N 352.796 5.104 0 3 FKAF CCCN(CCC)C(=O)Cc1c(-c2ccc(C)cc2)[nH]c2ccc(C)cc12 606187 BQTZSYWEYWBRNP-UHFFFAOYSA-N 362.517 5.643 0 1 FKAF CCCCCCOc1c(OC)cc(N[C@H](C)CCCN)c2nc(C)ccc12 28218832 IWSAVABUTOPSQU-MRXNPFEDSA-N 373.541 5.050 0 1 FKAF CCCCCCC(=O)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233059 FHIGKFJRZMWOOB-QGZVFWFLSA-N 369.292 5.445 0 1 FKAF FC(F)(F)c1ccc(-c2nc(Cn3ccnc3-c3ccccc3)co2)cc1 72184910 NPWLXVSIVYRHEZ-UHFFFAOYSA-N 369.346 5.272 0 1 FKAF c1ccc(C2(c3ccccc3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)cc1 100722033 OYQBCSBMSFBKPF-UIOOFZCWSA-N 360.480 5.399 0 1 FKAF O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)nc2c1 144366365 NUTMAJXOCBTZGS-UHFFFAOYSA-N 360.800 5.315 0 1 FKAF CN(C(=N)Nc1cccc2ccccc12)c1cccc(Br)c1 147028476 ZTNYPBSSWZRGAF-UHFFFAOYSA-N 354.251 5.085 0 1 FKAF Cc1cc(O)cc2c1[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1C=C2c1ccccc1 169323974 VJUNNKWHQJSRJW-ZXJCEKETSA-N 360.497 5.417 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCC(C)(C)C(=O)NCCC 231934479 DZZYKVXKTJYUPM-OEOXXNNKSA-N 373.625 7.294 0 1 FKAF COc1ccc(-c2oc3cc(O)c(CC=C(C)C)cc3c2OC)cc1O 238761158 HZKCSRJNRAORKC-UHFFFAOYSA-N 354.402 5.037 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)cc1 586897989 DDUWXOJTTBENRK-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4cccc(Br)c4[nH]3)c2)cc1 586898035 FREMRNLFZKEKNK-UHFFFAOYSA-N 365.230 5.365 0 1 FKAF c1ccc2c(c1)ncc1[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587033083 RBLBHZZXXKTPGP-UHFFFAOYSA-N 356.454 5.119 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(Cl)c(C)c2[nH]1 587044627 JEKKCVTVLLXTOY-UHFFFAOYSA-N 371.651 5.516 0 1 FKAF Cc1c(Cl)ccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c12 587050277 HGVBUEZBDQYLME-UHFFFAOYSA-N 362.260 5.440 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c(C)cnc(Cl)c2[nH]1 587073626 IEXJMNJARJOGNE-UHFFFAOYSA-N 368.267 6.216 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C=C1CCC(=O)[C@@]1(C)C4)-c1ccccc1C2=O 587100309 GFDQZLYYUIHAPG-VWLOTQADSA-N 365.432 5.063 0 1 FKAF FC(F)(F)c1nc2ccncc2cc1-c1nc2ccc3c(c2[nH]1)CCCC3 587115925 FNIXBMUOXKPIID-UHFFFAOYSA-N 368.362 5.071 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587161924 TUXUADKZKBGMQI-WOJBJXKFSA-N 358.416 5.552 0 1 FKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1 587241818 IRXXIWMHUCBTOE-UHFFFAOYSA-N 357.457 5.758 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(C)c(C(C)=O)c1C)CC2=O 587489522 PCUBLNZBLKHIKC-FQEVSTJZSA-N 366.457 5.179 0 1 FKAF CC(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600220 ACDLCXOSXSRBLU-NZQKXSOJSA-N 360.409 5.219 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C3CCCC3)C2)N1 587816805 DLAGEVMIRHJYSL-BBEGDGIKSA-N 366.318 5.308 0 1 FKAF C[C@@H]1Cc2cc([C@@]3(C)NCCc4cccc(-c5ccccc5)c43)ccc2O1 962669263 PBPANIJDFBQIIK-CRICUBBOSA-N 355.481 5.086 0 1 FKAF CCOc1cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)ccc1OC(C)C 963106278 RHVBDZUKYQLSHZ-AUSIDOKSSA-N 369.480 5.122 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cccc(Cl)c2)s1 1857596825 YRMRPWLAKLYLHU-UHFFFAOYSA-N 363.269 6.366 0 1 FKAF CCCN(c1n[nH]c(-c2ccc(Cl)cc2Cl)n1)C(C1CC1)C1CC1 13610623 VCNREQRITYDERC-UHFFFAOYSA-N 365.308 5.184 0 1 FKAF CC(C)CCCCCCCC[C@H](O)CC(=O)N1CCC[C@@H]1c1cccnc1 14684438 SHZBFDWXFJTSEI-FCHUYYIVSA-N 374.569 5.273 0 1 FKAF biogenic C[C@H](/C=C/C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820875 PHWBNSIZNJXWFB-ROYCPGHHSA-N 372.549 5.203 0 1 FKAF CCC[C@@]1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F 36487312 PRJKMVXKGQYDTK-GOSISDBHSA-N 366.358 5.279 0 1 FKAF c1ccc2ncc(N3CCC(c4nc(C5CCCCC5)no4)CC3)cc2c1 40893516 SCDKFJPXXNPSOL-UHFFFAOYSA-N 362.477 5.050 0 1 FKAF COc1ccccc1-c1cccc(-c2nnc(SCCCCF)o2)c1 64415719 WMMIBFVFLCJXIO-UHFFFAOYSA-N 358.438 5.254 0 1 FKAF COc1ccc(Cc2cc(O[C@H]3CCCC[C@@H]3C)c(C(C)C)c(=O)[nH]2)cc1 95592037 GHRLOSINCJHBPV-JXFKEZNVSA-N 369.505 5.055 0 1 FKAF S=c1oc(-c2ccc3ccccc3n2)nn1CNc1ccccc1Cl 95593310 NQOCJFRPGPKRDU-UHFFFAOYSA-N 368.849 5.144 0 1 FKAF CCCN(CCC)Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S 96910236 BYVLFATWYUUCQA-UHFFFAOYSA-N 372.563 5.211 0 1 FKAF CCOC(=O)/C(=C/Nc1ccccc1)c1ccc(OCc2ccccc2)cc1 101711218 DQSHOTPHOIJLQM-HAVVHWLPSA-N 373.452 5.282 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccsc2)C[C@H](c2ccccc2)C1 104703444 JDFRVCXAQQIUDR-SBUREZEXSA-N 372.493 6.377 0 1 FKAF CC1(C)[C@H]2C[C@H]1CC[C@H]2CNc1cc(Oc2ccccc2Cl)ncn1 104930761 YWMBVCXILUAJCY-ZNMIVQPWSA-N 357.885 5.407 0 1 FKAF CCOc1ccc(F)c(-c2ccc(Nc3ccc(C)cc3C(=O)O)cn2)c1 113898564 YKRQBYOUFSSULJ-UHFFFAOYSA-N 366.392 5.037 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N(CC)CC 169301044 FJSSHRJDGBNCDH-CVLOBQTISA-N 359.598 7.001 0 1 FKAF O=C(O)CCCCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 231930519 CKZGRGZXFFNECL-DMPLHEPCSA-N 360.582 6.680 0 1 FKAF COC(=O)C[C@@H](C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)OC 238758479 BVVBLULWDBBBND-DLWHVABMSA-N 352.559 5.614 0 1 FKAF Clc1cccc([C@H](C[C@@H]2CCCN3CCCC[C@H]23)c2ccccc2)c1 299832567 JUXAFFHGRHKEON-MDNUFGMLSA-N 353.937 6.127 0 1 FKAF Cc1c(Cl)ccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586978863 ACTQDZTVLIWULB-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF COc1cnc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1Cl 587064584 DNZOZGVZTBTVFC-UHFFFAOYSA-N 367.861 5.438 0 1 FKAF Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1C(F)(F)F 587095101 POFJPQWBFCEQPA-UHFFFAOYSA-N 359.178 5.788 0 1 FKAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587149126 DCSGKDVAOYKOQY-SSDOTTSWSA-N 360.257 5.139 0 1 FKAF Cc1c(Cl)ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587204818 LZXKQDDPGBWOMH-AWEZNQCLSA-N 365.905 5.007 0 1 FKAF O=C(Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1)OCC(F)(F)F 587210127 GAVYQAYEKKOUSX-UHFFFAOYSA-N 372.346 5.111 0 1 FKAF CCCc1c(-c2ccc(Br)cc2F)nc2cccc3c2c1CC3 587210690 VXEVEHPMKPXBDS-UHFFFAOYSA-N 370.265 5.855 0 1 FKAF Fc1cccc(COc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c1 587212067 BGRBFDVPOYJZPE-UHFFFAOYSA-N 355.412 5.719 0 1 FKAF COc1cccc(-c2cc(-c3cc(C)no3)nc3c2oc2ccccc23)c1 587363204 OUSYOFZURMRVOA-UHFFFAOYSA-N 356.381 5.620 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1F)(C(C)(C)C)CC2=O 587466683 NJZKWCQDVSSPNU-QFIPXVFZSA-N 356.437 5.391 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2cc(F)ccc21 587469706 BXRPWHPWUCYWEV-XMMPIXPASA-N 374.411 5.373 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c([C@H](C)CC)c1)CC2=O 587478994 LPLJSESWKFXBLH-JLCFBVMHSA-N 368.473 5.573 0 1 FKAF CCn1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515108 JJAFKDYKROLUCV-DEOSSOPVSA-N 359.469 5.421 0 1 FKAF CC[C@H](C)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525220 UBGKLFAUVLJXHI-NYHFZMIOSA-N 350.458 5.449 0 1 FKAF CC(C)(C)c1cc(N)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587532419 QQWNKLSDZAVVKD-JOCHJYFZSA-N 369.530 5.387 0 1 FKAF Cc1cccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603980 SZFNAGBIZPTXBR-URXFXBBRSA-N 374.436 5.054 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H](c1ccccc1)C2 587605369 ZENIPNCBUPPLNB-QATBIIFWSA-N 372.420 5.060 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccs3)c2c1 587640198 GFBZOCSOECWVSM-SNVBAGLBSA-N 351.393 5.993 0 1 FKAF Cc1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587699265 RZUFISDIQBFBPR-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2Cl)N1 587701691 XOSMHJPETTXHMX-QGHHPUGFSA-N 368.677 5.039 0 1 FKAF CCCCC[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813776 PSYDSMRXHXJCMZ-YJYMSZOUSA-N 370.350 5.944 0 1 FKAF CC(C)CC1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813966 RHTLHYJTBRJBRW-CYBMUJFWSA-N 356.323 5.410 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C)cc1C 587865955 QQVGHAJIJNTYJL-UHFFFAOYSA-N 360.379 5.574 0 1 FKAF CC[C@]1(Cc2nc3ccc4c(c3[nH]2)CCCC4)CC(=O)c2ccccc2C1 587959012 BIBIPZJGURLFFP-XMMPIXPASA-N 358.485 5.210 0 1 FKAF CCCC/C=C/c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 587964633 ANQOURBYMBTUNN-FMIVXFBMSA-N 367.424 5.436 0 1 FKAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2ccc(C3CCCCC3)s2)cc1 962667944 NFCYUDZZFQSDRB-VWLOTQADSA-N 373.565 6.698 0 1 FKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(OC)CC[C@]21C)C(C)C 2356473696 NXGGSWGPPXFCIU-SFJJLGKISA-N 360.538 5.513 0 1 FKAF CC(=O)O[C@@H]1CC[C@H](CCCCCCCCCCCC[C@H](C)O)N[C@H]1C 2356606494 RNRUHRONLFGPJY-BLKABHOGSA-N 369.590 5.121 0 1 FKAF CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCCO 2356746215 CXWASNUDKUTFPQ-UHFFFAOYSA-N 372.549 6.000 0 1 FKAF COc1ccc2oc([C@@H](c3ccccc3)c3c(C)[nH]c4ccccc34)cc2c1 2382230885 OMXUZXJCAXLBMS-RUZDIDTESA-N 367.448 6.411 0 1 FKAF NC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1c(Cl)cccc1Cl 3654291 DBEDNRWVUCRTQT-UHFFFAOYSA-N 371.676 5.378 0 1 FKAF O=C(O)CCCOc1cccc(/C=C/c2ccc3c(Cl)cccc3n2)c1 13727966 DVSHRJUCRCNNSI-MDZDMXLPSA-N 367.832 5.302 0 1 FKAF CN(CCCCc1ccccc1)[C@@H]1Cc2ccccc2[C@H](c2ccccc2)C1 26820449 WNKDOXHPSHAXOX-VPUSJEBWSA-N 369.552 6.088 0 1 FKAF CCCOc1ccc(-c2cc(O)c3c(C)c(C(=O)OCC)oc3c2)cc1 28370219 NHFXCELKFFEZHR-UHFFFAOYSA-N 354.402 5.079 0 1 FKAF CN1[C@H]2CC[C@@H]1C[C@@H](O[C@@H](c1ccccc1)c1ccc(C(C)(C)C)cc1)C2 100834483 IGNVGOLMZFBAMQ-KIHHCIJBSA-N 363.545 5.715 0 1 FKAF CC1(C)[C@H]2CC[C@H](CNc3cc(Oc4ccc5ccccc5c4)ncn3)[C@@H]1C2 104930394 IMBHTTDSYOSSNM-DYXWJJEUSA-N 373.500 5.906 0 1 FKAF Cc1cc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)c(C)s1 586993353 GQGUZKUEYPCQMB-UHFFFAOYSA-N 371.461 5.806 0 1 FKAF c1ccc(COc2ccc3nc([C@H]4Cc5ccccc5S4)[nH]c3c2)cc1 587041842 FYWJJMJYQCIRMY-OAQYLSRUSA-N 358.466 5.531 0 1 FKAF Cc1ccc(-c2cc(-c3nc4cncc(C)c4[nH]3)c3cccc(Cl)c3n2)o1 587083493 WYFVQMDKGRCUDU-UHFFFAOYSA-N 374.831 5.703 0 1 FKAF Cc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Cl 587233952 UGYWKYNUHKXLCR-TZMCWYRMSA-N 363.889 5.076 0 1 FKAF CCC[C@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587367456 RAUNSSUEMSVNLV-INIZCTEOSA-N 371.480 6.877 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(CC13CC4CC(CC(C4)C1)C3)CC2=O 587487682 GOTXKXWDIPJPTL-DJKMCGLWSA-N 368.517 5.675 0 1 FKAF Fc1cccc2[nH]c(C(F)(F)F)c(-c3ccc(Br)cc3)c12 587633456 FBRZORSBRYJFOZ-UHFFFAOYSA-N 358.132 5.755 0 1 FKAF CC1=C(C)C[C@](C)([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587819782 NNMZTLSHHXKZMS-FASAQXTFSA-N 366.318 5.690 0 1 FKAF CC1=C(C)C[C@H]([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587824455 WVPNGRWSWPPSQQ-WPKBUWHJSA-N 352.291 5.300 0 1 FKAF CC(C)[C@H]1CC[C@H](C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587831353 XBHVTBWTJPSLLJ-FAYLSGKYSA-N 368.334 5.410 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C)cc1C 587859577 FOHOJJVPLPMSQO-UHFFFAOYSA-N 361.272 5.862 0 1 FKAF COc1cc2[nH]c(-c3ccc(-c4ccccc4OC)cc3)nc2cc1Cl 587933522 ZFMBESAWMWSLEI-UHFFFAOYSA-N 364.832 5.568 0 1 FKAF COc1ccc2c(c1OC)[C@@H](c1ccccc1-c1ccccc1)N(C)[C@H](C)C2 962631057 IYXDAQCJXPKPQK-MZNJEOGPSA-N 373.496 5.337 0 1 FKAF Cc1cc(Br)ccc1[C@@H]1c2c(F)cccc2C[C@H]2CCCN21 963099569 ICANDZYHSOYDBP-DNVCBOLYSA-N 360.270 5.007 0 1 FKAF COc1ccc(C(=O)O[C@@H]2CC(C)=CCCC(C)=C[C@H]3[C@H]2C3(C)C)cc1 2356784699 PSEUVXLMKIAASF-PWRODBHTSA-N 354.490 5.569 0 1 FKAF COc1ccc(Cc2c(C3CCCCC3)nc3ccc(Cl)cn23)c(C)c1 72138483 ZUDFZIXCNXKARC-UHFFFAOYSA-N 368.908 5.943 0 3 FKAF CCCC[C@H](C(=O)N(CC)c1ccccc1)[C@@H](O)c1ccc(Cl)cc1 203466792 GXRSZEVIXHPUCA-PMACEKPBSA-N 359.897 5.233 0 3 FKAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](SC(=N)N)CC[C@]4(C)[C@@H]3CC[C@]12C 254100932 BVOSELRYSDLZIT-OAWXYTOASA-N 374.594 5.150 0 3 FKAF O[C@@H]1CCCc2nc3ccccc3c(NCc3ccccc3C(F)(F)F)c21 14946511 IJPJFSRSZPHFNX-GOSISDBHSA-N 372.390 5.235 0 1 FKAF C/C=C/c1cc(Oc2ccccc2)ccc1OCCO[C@@H]1CCCCO1 27312450 WZEBBUGGVPIWFE-CBOOFTQTSA-N 354.446 5.434 0 1 FKAF Cc1[nH]c(C)c(-c2ccc(-c3ccc(F)cc3)cc2)c(=O)c1Br 45189001 LISZCGAYTFKKAZ-UHFFFAOYSA-N 372.237 5.227 0 1 FKAF CC1=C[C@](C)(/C=C/C=C/c2ccccc2)[C@](C)(C(=O)O)[C@H]2C(C)=C[C@@H](C)[C@H]12 58583809 KNDMYWMVTUEPLZ-MACPZBPUSA-N 362.513 6.142 0 1 FKAF Cc1cc2c(cc1NC(=O)CCCc1ccccc1)C(C)(C)CCC2(C)C 84727545 SRDLZCWTHLNCAD-UHFFFAOYSA-N 363.545 6.305 0 1 FKAF Nc1nc(=S)[nH]c2c1[C@H](c1ccccc1)c1ccc3ccccc3c1O2 103289558 PTRHMMXJGVYASQ-MRXNPFEDSA-N 357.438 5.160 0 1 FKAF Cc1cc(Nc2ccc(N3CCCCC3)cc2)c2c(ccc3nc[nH]c32)n1 169318322 SONUSAWIKNJTPL-UHFFFAOYSA-N 357.461 5.153 0 1 FKAF O=C(O)CCCCCCCCCCC[C@H]1C[C@H]2[C@@H]1[C@H]1[C@H]2[C@H]2[C@H]3CC[C@H]3[C@H]21 231930535 ZPDCFDULRXOVLT-KSFBCGTJSA-N 358.566 6.146 0 1 FKAF COc1cc(/C=C\c2nc3cccc(Cl)c3[nH]2)ccc1Br 586975527 DNEZAZAZBMFBRX-VURMDHGXSA-N 363.642 5.158 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@@H]4c1ccccc1F)-c1ccccc1C2=O 586994735 FEMYDLPCYUCAPM-GOSISDBHSA-N 365.407 5.582 0 1 FKAF Cc1c(Cl)ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006108 HLMMZAZBOQLDKQ-UHFFFAOYSA-N 360.642 5.207 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Cl)c(F)cc2[nH]1 587013070 YXHAKNXRUXACRQ-UHFFFAOYSA-N 357.841 5.378 0 1 FKAF Fc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c(F)c1F 587015662 GUCGBPAWPZIYQG-UHFFFAOYSA-N 365.767 5.424 0 1 FKAF Brc1cccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587025108 GTJFXRUNAANQHR-UHFFFAOYSA-N 355.260 5.721 0 1 FKAF Brc1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587028355 TYAHPCNICBIDCW-UHFFFAOYSA-N 356.248 5.116 0 1 FKAF Oc1ccc2scc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2c1 587033521 WLDHBQQGXIREBG-UHFFFAOYSA-N 350.321 5.049 0 1 FKAF COc1cc(-c2nc3cc(C)cc(F)c3[nH]2)cc(Cl)c1OCC(C)C 587046594 XMLCPWIMWVFNKU-UHFFFAOYSA-N 362.832 5.374 0 1 FKAF Cc1ccc2c(ccc3nc([C@@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c32)n1 587048364 HOLSHFMCRRCMCA-QWHCGFSZSA-N 368.267 5.997 0 1 FKAF Clc1cccc2c(-c3nc4cccnc4[nH]3)cc(-c3ccccc3)nc12 587082373 LWPPZYZPIUYZDM-UHFFFAOYSA-N 356.816 5.494 0 1 FKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cccc(Cl)c2[nH]1 587150913 UZMJLSSVDYCQKT-SFHVURJKSA-N 351.812 5.557 0 1 FKAF CCc1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587151130 QEDKYGRBFKKVQO-NRFANRHFSA-N 364.395 5.572 0 1 FKAF CC1(C)Cc2c(nc3cccc4c3c2CC4)-c2[nH]c3ccc(C(=O)O)cc3c21 587211741 KTGHKILDSYDNNM-UHFFFAOYSA-N 368.436 5.014 0 1 FKAF CC(C)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587356730 RJYNWBOQDGCNIN-VCOUNFBDSA-N 354.421 5.085 0 1 FKAF COc1cccc(-c2cc(-c3nccs3)nc3c2oc2ccccc23)c1 587367290 VOHVCOLUSREYTP-UHFFFAOYSA-N 358.422 5.780 0 1 FKAF C[C@@]1(c2ccccc2CCCCF)CC(=O)c2ccc3c(c2O1)CCCC3 587509853 XGVSXKUENDAAQC-DEOSSOPVSA-N 366.476 5.738 0 1 FKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC(C)C)c1 587521014 HGSRLWAKOIXVSJ-QFIPXVFZSA-N 366.457 5.068 0 1 FKAF C[C@H]1C[C@@H](C)C[C@H]([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587604177 UZKMYNQDEVLLQY-SDKZCYQHSA-N 366.457 5.185 0 1 FKAF Cc1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)c(C)o1 587628487 LZNBDKOFYCXEDK-UHFFFAOYSA-N 359.706 5.420 0 1 FKAF Cc1c(Cl)ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587784291 OZBLWQPQXNZKHW-ZROIWOOFSA-N 374.871 6.274 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)cc1O 587787193 RJPSELUXILDZJR-UHFFFAOYSA-N 370.330 5.028 0 1 FKAF CCCC1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587816917 FWTVVRLYWUROFT-WHENESEISA-N 354.307 5.308 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H]1CCCC[C@@H]1C2(C)C 587826434 HDNLASDTNDLWRL-IDTLQRJASA-N 366.318 5.164 0 1 FKAF CC[C@@]1(c2ccc(C)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 587846185 HBDRDIBQEJCMKQ-BMLIUANNSA-N 368.315 5.146 0 1 FKAF CC(C)c1ccc(O[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873060 BPECAKXBFVWDAA-ZDUSSCGKSA-N 366.392 5.026 0 1 FKAF CC(C)(C)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 587954893 BZOQOWMGEFBFDH-LJQANCHMSA-N 355.485 5.630 0 1 FKAF COc1cc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2cc1Cl 587960030 UXKXLUOXIITFEI-UHFFFAOYSA-N 362.860 5.791 0 1 FKAF C/C(=C\c1nc2ccc(I)cc2[nH]1)C1CCCCC1 587966747 GQGHTJLAHCALGJ-PKNBQFBNSA-N 366.246 5.151 0 1 FKAF Cc1[nH]c2ccccc2c1[C@@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962719038 VELSBRFIVBQPKB-NYHFZMIOSA-N 366.505 5.068 0 1 FKAF Cc1cc2[nH]c([C@H](O)CC3CCCC3)c(-c3ccccc3)c2cc1C(=O)O 1772623362 QGRBHBCJIGXMDV-HXUWFJFHSA-N 363.457 5.455 0 1 FKAF Fc1ccc(CN2CCC(F)(F)[C@H](CCc3ccccc3)C2)c(Cl)c1 1772643974 QZQHGHZZPFFAFY-QGZVFWFLSA-N 367.842 5.569 0 1 FKAF CC(C)(C)c1ccc(CN2CCC3(CC2)OCCc2sccc23)cc1 1857654030 JUDVVFRIYKRAGA-UHFFFAOYSA-N 355.547 5.110 0 1 FKAF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C1=CC[C@H](C)C[C@H]12 2356332255 BKRLVBUDBPQLLV-MAUKXSAKSA-N 356.506 5.956 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C=CCC[C@]4(C)[C@@H]3C=C[C@@]21C 2356662796 HAJOVCDDHUOYQO-APPNVHAASA-N 354.534 6.008 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C=CCC[C@]4(C)[C@@H]3C=C[C@]21C 2356662797 HAJOVCDDHUOYQO-JJEGEWNZSA-N 354.534 6.008 0 1 FKAF C[C@@](O)(c1cccc(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 61902926 OTNFBPKXXWMHOP-QGZVFWFLSA-N 367.367 5.224 0 3 FKAF CCCOc1c(/C(C)=C\C=C\C(C)=C\C(=O)O)cc(C(C)C)cc1C(C)C 4837700 TYMBNWYPCYSZOZ-RSMBVSHGSA-N 370.533 6.713 0 1 FKAF COc1cc2oc(-c3ccc(O)c(CC=C(C)C)c3)c(O)c2cc1OC 5159013 KRWXHCWICDLYOY-UHFFFAOYSA-N 354.402 5.037 0 1 FKAF biogenic,in-vitro CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 5978521 KRCJGMGDULOQEL-UZKOGDIHSA-N 355.909 5.566 0 1 FKAF Oc1ccc(-c2nn(Cc3ccccc3)c3cc(C(F)(F)F)ccc23)cc1 13586335 OIBSPBUHLXVABR-UHFFFAOYSA-N 368.358 5.476 0 1 FKAF CC1(C)CCC(C)(C)c2cc(C3=Cc4ccc(C(=O)O)cc4OC3)ccc21 13815366 NOHAYALABUMJRK-UHFFFAOYSA-N 362.469 5.667 0 1 FKAF Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(O)cc2c1C(=O)O 29328424 UYIVVGHMHMSSIQ-UHFFFAOYSA-N 355.393 5.281 0 1 FKAF Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)CC(=O)[C@@H]2c2ccccc2)cc1 72170726 ZABOJZHUEDETAG-PZUNEJSGSA-N 355.481 5.432 0 1 FKAF CCC[C@@H](Sc1ccc(C(=O)O)nc1)c1cccc(C(F)(F)F)c1 139270069 XKCWDXPEPCNLQF-OAHLLOKOSA-N 355.381 5.432 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 586896126 HAXMFSCPUUIGPL-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF Cc1cccc([C@H]2Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)c1 586991351 UEZAZOMKFSEBHL-QGZVFWFLSA-N 363.416 5.148 0 1 FKAF Brc1cccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023680 OHEJWYIXUVCDSM-UHFFFAOYSA-N 356.248 5.116 0 1 FKAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587051409 WYPFRRLXHSOSAP-UHFFFAOYSA-N 354.624 5.149 0 1 FKAF Cc1nc(O)c(Cl)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104214 QFBHSYHLTXQZRG-UHFFFAOYSA-N 372.811 5.176 0 1 FKAF Cc1cnc(Cl)c2[nH]c([C@H](C)Cc3cccc(C(F)(F)F)c3)nc12 587112054 CZMZACRIOAXBQY-SECBINFHSA-N 353.775 5.285 0 1 FKAF CCC(C)(C)c1cc(C(C)=O)c(O)c(-c2cc3c4c(cccc4n2)CC3)c1 587216230 WTOLLCGXXBZBLH-UHFFFAOYSA-N 359.469 5.596 0 1 FKAF CC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444652 FNQOTAIZJSOCKT-BWKNWUBXSA-N 370.448 5.415 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(-c3cccc(F)c3)c2c1 587642619 OZNQENHBHDJPSK-INIZCTEOSA-N 373.471 7.163 0 1 FKAF Cc1cc(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587704807 VUBIXAXGVBHISN-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3ccccc32)N1 587818032 OSJUNILLWQCFJI-XCLFUZPHSA-N 374.297 5.092 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCc3ccccc32)N1 587818148 CDKLQOXEBBYVCA-QROBEVECSA-N 374.297 5.284 0 1 FKAF COc1ccc2c(c1)CCC=C2Cc1nc2cccc(C(F)(F)F)c2[nH]1 587933932 ANFBQQKDWSWENY-UHFFFAOYSA-N 358.363 5.163 0 1 FKAF CCCN1[C@H](c2cc(Cl)c(O)cc2Cl)c2ccccc2C[C@H]1C 963226863 IDGOVALBESQCAX-BLVKFPJESA-N 350.289 5.445 0 1 FKAF Cc1nc2ccccc2c(-c2cccc(F)c2)c1[C@@H](OC(C)(C)C)C(=O)O 1857653372 SDGVLLXVZRDYEG-HXUWFJFHSA-N 367.420 5.290 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@@H]3CCC4=C(C=CN(CC(=O)O)C4)[C@]3(C)CC[C@H]12 2356867283 WPVQCRNUKYZBFW-PJIZGREPSA-N 357.538 5.240 0 1 FKAF c1ccc(CN2C(c3ccccc3)=Nc3ccccc3[C@H]2c2ccccc2)cc1 2382259947 JNJSWUIXXCWAOV-AREMUKBSSA-N 374.487 6.370 0 1 FKAF CC(C)=CCC[C@H](C)C[C@@H]1Cc2[nH]nc(O)c2[C@H](c2ccc(Cl)cc2)O1 95566824 VTKICRAAIQPDHM-NQYLQCIDSA-N 374.912 5.572 0 3 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 5523937 PJPBVOAEXHKPAB-PMACEKPBSA-N 370.577 7.251 0 1 FKAF c1ccc2c(NCCCCCCN3CCCCC3)c3c(nc2c1)CCCC3 13472666 QZXLFYRPFVFZIY-UHFFFAOYSA-N 365.565 5.572 0 1 FKAF C1=C(c2ccc(OCc3ccccc3)cc2)N2CCCN=C2c2ccccc21 13555255 MPEQLCOWDGGRFP-UHFFFAOYSA-N 366.464 5.230 0 1 FKAF CCCc1cccc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)n1 13673124 MSBYLAUFMVBIFB-SOAKPNSXSA-N 353.506 5.051 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNC(=O)CCC 13679543 FRXFHGCFWRSQGQ-GKFVBPDJSA-N 359.598 7.048 0 1 FKAF Cc1c(Cl)cccc1C(=O)O[C@@H](CCN(C)C)c1ccc(Cl)cc1 13684932 CTSVAXKMMQVKRO-SFHVURJKSA-N 366.288 5.152 0 1 FKAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1C3=CC[C@H](c4ccc(=O)oc4)[C@@]3(C)CC[C@H]12 27633857 LPARRDGBTTTYTR-NFNBUDAVSA-N 368.517 5.047 0 1 FKAF CCN(C(C)C)[C@@H](C)CCCCCNc1cc(OC)cc2c(C)ccnc12 28111222 RLEKTIUGPADSKD-IBGZPJMESA-N 371.569 5.643 0 1 FKAF CC(=C/C(=O)O)/C=C/[C@H]1C[C@@]1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C 34008852 HMDVFKHLXNHBGR-PNBLZRFASA-N 366.545 6.209 0 1 FKAF COc1ccc(C(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(O)c1 34610197 DAXWWPPGHCJLNF-UFTLRZAHSA-N 370.533 6.783 0 1 FKAF O=C(Cc1ccccc1)Nc1ccc2[nH]nc([C@@H]3C[C@@H]3c3ccccc3)c2c1 34997344 CIWJUMXZAYFUEI-WOJBJXKFSA-N 367.452 5.015 0 1 FKAF COc1cc(C(=O)c2ccccc2)cc(O)c1-c1cc(Cl)cc(Cl)c1 40393911 GICAVAIQQLDFTR-UHFFFAOYSA-N 373.235 5.606 0 1 FKAF COc1ccc(-c2ccc3c(-c4ccnc5ccccc45)cnn3c2)cc1 40879358 OSHPCEQPUKKIAZ-UHFFFAOYSA-N 351.409 5.225 0 1 FKAF O=C1Cc2c([nH]c3ccc(Cl)cc23)-c2ccccc2N1Cc1ccccc1 45284559 QOTHSGGBIBMIIM-UHFFFAOYSA-N 372.855 5.578 0 1 FKAF CCO[C@@H](c1cc(Cl)cc(Cl)c1)[C@@H](SC(C)(C)C)n1ccnc1 45357643 TXBNGJUWIZRYNB-JKSUJKDBSA-N 373.349 5.998 0 1 FKAF O=C(O)/C=C/c1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)cc2)cc1 49071346 GWKQRNXTGAHPBR-GINUTJKVSA-N 374.480 5.892 0 1 FKAF OCCc1ccc(Nc2ccnc3ccc(-c4ccc(Cl)cc4)cc23)cc1 58502031 AMPFDJPYAXBAGV-UHFFFAOYSA-N 374.871 5.834 0 1 FKAF CC(C)c1cccc(Nc2nnc([C@@H](O)c3ccc(Cl)cc3)s2)c1 82081996 UOJZEUQNTSRXTP-INIZCTEOSA-N 359.882 5.140 0 1 FKAF CC(C)c1cccc(Nc2nnc([C@@H](O)c3cccc(Cl)c3)s2)c1 82082045 RRGZJEQOGHEIIG-INIZCTEOSA-N 359.882 5.140 0 1 FKAF CCCCCNc1ncnc2c1nc(C1CCCCC1)n2C[C@@H](C)CC 82186517 NYCHPPZBOJYIFV-INIZCTEOSA-N 357.546 5.522 0 1 FKAF C[C@@H](C(=O)O)C1=C/C(=C\c2ccc(-c3ccccc3)cc2)c2ccc(F)cc21 84652726 NAXKIZLFULQLHI-RBYWHNRPSA-N 370.423 6.151 0 1 FKAF Cc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)cc3ccccc3c2s1 84757415 XFEOVXDLUUOAJL-UHFFFAOYSA-N 373.886 5.244 0 1 FKAF CC(C)(c1ccc(-c2cc(Cl)cc(Cl)c2)c(O)c1)c1cccs1 115499517 CXDZKZANQIQWCC-UHFFFAOYSA-N 363.309 6.753 0 1 FKAF Fc1cccnc1Nc1ccc(Oc2ncccc2-c2ccccc2)cc1 139295212 CLUZVKYVJYIIJD-UHFFFAOYSA-N 357.388 5.819 0 1 FKAF Cc1cccc(-c2cccnc2C2CN(c3ccc4ccccc4n3)C2)c1 139793912 PLSBBSHQYZHBAI-UHFFFAOYSA-N 351.453 5.209 0 1 FKAF COc1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2C)c1 218364087 WNOUSNXGJRHXDV-QHCPKHFHSA-N 370.452 5.521 0 1 FKAF COc1cc2nc(C)c(-c3ccc(OC(C)C)cc3)c(O)c2cc1Cl 299819859 CMSBFBYTDHPDHU-UHFFFAOYSA-N 357.837 5.365 0 1 FKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 587048368 HQZHRMUXULOTAB-NKWVEPMBSA-N 373.070 5.843 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)c1 587160158 JRLRFPLSJVTBIX-UHFFFAOYSA-N 370.786 5.837 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587160759 GEKNBJHSNNWAML-WDEREUQCSA-N 354.734 5.645 0 1 FKAF Cc1ccc(NC2(c3nc4cc(Cl)cc(Cl)c4[nH]3)CCCC2)cc1 587237769 WMKSQAQPPOKWQZ-UHFFFAOYSA-N 360.288 6.060 0 1 FKAF CC(C)[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353860 PGFVWNLBMBBHQQ-IEIRFRATSA-N 368.448 5.475 0 1 FKAF CC[C@@H](C)[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587364839 DHEIWPIDDBVYBO-QAPCUYQASA-N 371.480 6.733 0 1 FKAF COc1ccc(Cl)cc1[C@]1(CC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587375939 AZLKITDTPXCCFF-NRFANRHFSA-N 373.880 5.146 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1ccccc1Cl)O2 587377926 KZYDVRUITFGYNA-OAQYLSRUSA-N 363.844 5.604 0 1 FKAF CC[C@]1(c2cccc(C(F)(F)F)c2F)CC(=O)c2cc(C)cc(N)c2O1 587383478 XJVGPLWTUNOGMB-GOSISDBHSA-N 367.342 5.006 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OCc3ccccc3)c1)O2 587399412 KQVPTPXAKOPLDS-DEOSSOPVSA-N 373.452 5.037 0 1 FKAF CCCCC[C@@]1(c2ccc(N)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587472355 HCHKARDUVDHEOF-QHCPKHFHSA-N 367.489 5.368 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(SC)cc1)(C(C)C)CC2=O 587494345 WIJZTJROANDUOB-JOCHJYFZSA-N 370.514 5.583 0 1 FKAF CC(C)[C@@]1(c2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501885 GIOAEUPODMAGLU-JOCHJYFZSA-N 372.867 5.875 0 1 FKAF Nc1cccc2c1-c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587509653 IJRGCYUSLBRCJC-RUZDIDTESA-N 367.448 5.037 0 1 FKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 587524903 NNMVDXAFQOCKIM-HSZRJFAPSA-N 358.437 5.434 0 1 FKAF CC(C)CSc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533398 SVTIWAHLNGLOMM-JOCHJYFZSA-N 366.526 6.020 0 1 FKAF Cc1cc(C)c2c(c1)[C@@]1(CCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587535572 LILCIYNPRYSCLK-XMMPIXPASA-N 362.469 5.216 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(Cc3ccc(F)c(F)c3)c(C(=O)OC)c2c1 587643899 YKWMZGWUBGFKAW-LBPRGKRZSA-N 357.400 5.337 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587952125 LZAMOAHPTJZGQH-ZJBJCVSYSA-N 364.489 6.402 0 1 FKAF Clc1ccc2nc(-c3cccs3)c(CCCN3CCCC3)cc2c1 653790490 NRUBDRRAPGNZES-UHFFFAOYSA-N 356.922 5.645 0 1 FKAF Cc1ccc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c(Br)c1 963106146 QVFLEJLOBSZXTN-IFXJQAMLSA-N 360.270 5.007 0 1 FKAF O=C(O)CCc1cc2cc(-c3cc(Cl)cc(OC4CCC4)c3)ccc2o1 1772593117 KLEOPTWEMLEDDG-UHFFFAOYSA-N 370.832 5.702 0 1 FKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)OCCC2 1772634037 UQAOABFQNHZBIQ-DUXPYHPUSA-N 361.407 5.176 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(F)cc3)nc3c2Cc2cccc(O)c2-3)c1 1857598108 DBMPBADEOYBMND-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CCN(Cc1ccccc1)Cc1ccc(NC(=O)CCc2ccccc2)cc1 1857646401 QBDBVOXKUCCNLN-UHFFFAOYSA-N 372.512 5.280 0 1 FKAF C[C@H]1C[C@@H](C)C[C@H](C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)C1 1857653113 RRKUGRDUAQAPQQ-URLYPYJESA-N 356.413 5.326 0 1 FKAF Nc1ncc(-c2ccc(-c3ccccc3)cc2F)cc1-c1ccccc1F 61926832 MZXDODXGEHQRRR-UHFFFAOYSA-N 358.391 5.943 0 3 FKAF CC(=O)n1ncc(Sc2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 1047939 GZSAWAYIUUNTKB-UHFFFAOYSA-N 363.269 5.668 0 1 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccccc1-3 12404510 ZEZOALAOUQCQQW-HAHDFKILSA-N 365.476 6.852 0 1 FKAF CC(C)(C)c1ccc(CSc2oc3ccccc3c(=O)c2Cl)cc1 13589023 UAWTXYXQRYOBLH-UHFFFAOYSA-N 358.890 6.036 0 1 FKAF CCCN(c1nc(-c2c(C)cc(C)cc2C)n(CC)n1)C(C1CC1)C1CC1 26936689 RRSPPQFSQXBICX-UHFFFAOYSA-N 366.553 5.295 0 1 FKAF Cc1cc2c(c(S)n1)C(=O)O/C2=C\c1ccc(-c2ccccc2)s1 40422220 JQUJCAMSFSJAHZ-GDNBJRDFSA-N 351.452 5.076 0 1 FKAF CC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NCC(C)(C)C 40875627 DTDBTPMWXYTNHA-UHFFFAOYSA-N 359.901 5.378 0 1 FKAF O=C1CC[C@H](N(Cc2ccc3ccccc3c2)C2CCCC2)c2ccccc21 40876866 CXEISEMDSGMVHN-VWLOTQADSA-N 369.508 6.302 0 1 FKAF CCOc1ccc(/C(=C(/CC)c2ccc(O)cc2)c2ccc(O)cc2)cc1 49109511 ARCUKWDDBMOVTN-VHXPQNKSSA-N 360.453 5.866 0 1 FKAF in-vitro O=C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc2ccc(Cl)cc12 96270337 HAONBXMADPYEGS-UHFFFAOYSA-N 367.710 5.152 0 1 FKAF CC1(C)CC2=Nc3ccc4ncccc4c3[C@H](c3ccccc3)C2=C(O)C1 104108384 BZPNZJPBKPSSES-NRFANRHFSA-N 354.453 6.085 0 1 FKAF O=C(O)c1ccc(Cc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 115474121 KVJVOOJYIHCCTC-UHFFFAOYSA-N 364.253 5.406 0 1 FKAF Cc1ccc(C(=O)c2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1 143373470 MSKWRNWYTDIDQD-UHFFFAOYSA-N 362.425 5.952 0 1 FKAF Clc1ccccc1NCc1cccc(CNc2ccccc2Cl)n1 147326106 ZYKLDYYQLAWTBN-UHFFFAOYSA-N 358.272 5.613 0 1 FKAF C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)CCC[C@]45C[C@]35CC[C@]12C)N(C)C 255284942 YPQWFHQFYCBUGH-JRHJWBQISA-N 371.653 6.766 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 586880919 IMUQGHCZDGNKCR-UHFFFAOYSA-N 370.496 6.497 0 1 FKAF COc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2c1 587031020 NPRJFMOCESXRQO-CYBMUJFWSA-N 363.486 5.531 0 1 FKAF Cc1cc2nc(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)[nH]c2cc1C 587031984 XCYHEZFNUNDSCP-ZDUSSCGKSA-N 361.514 6.139 0 1 FKAF N=c1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c[nH]1 587047136 CQJPHEMMWQTFSK-UHFFFAOYSA-N 355.228 5.011 0 1 FKAF COc1ccc(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587096148 ACXOJQUERJIQEY-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF Fc1cc(Cl)cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587111259 BTGICJDYLCPLHG-UHFFFAOYSA-N 365.717 5.589 0 1 FKAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587113499 LFKGXGZXRQTRFN-LBPRGKRZSA-N 374.193 5.131 0 1 FKAF CC(C)(C)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2n1 587144798 AUGQJQHRHCGQPE-UHFFFAOYSA-N 359.448 5.652 0 1 FKAF CCc1cc2c(n1Cc1ccccc1)CCc1c-2nc2cccc3c2c1CC3 587211512 RXLOFZIEEOUANL-UHFFFAOYSA-N 364.492 5.511 0 1 FKAF Cc1ccc(C(=O)c2coc3ccc(Cl)cc23)c(C)c1Br 587276835 WVKLXEDPJWFGRY-UHFFFAOYSA-N 363.638 5.697 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 587352163 IMYCRRAIVNSCEM-SFLYRZDNSA-N 374.411 5.207 0 1 FKAF COc1cccc(-c2cc(CC(=O)C(C)(C)C)nc3c2oc2ccccc23)c1 587364799 DQRUTKUIKKYXNK-UHFFFAOYSA-N 373.452 5.814 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)Cc1ccccc1-3)CC2=O 587478680 HAUOWFTWVJZDQG-XMMPIXPASA-N 370.448 5.622 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCSc3c(Cl)cccc31)CC2=O 587494514 KLUDNOWHDHACIV-FQEVSTJZSA-N 374.889 5.355 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3sc4ccccc4c31)CC2=O 587495617 PLSHBHDMBLNQTI-QFIPXVFZSA-N 364.466 5.366 0 1 FKAF O=C1C[C@@H](C2CCC(C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 587502375 DVPDTGVNXDLYDQ-JRSKDTKFSA-N 352.396 5.268 0 1 FKAF CC[C@@]1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 587530103 AZIVCIAHLXTFKN-ZEQRLZLVSA-N 362.469 5.377 0 1 FKAF CC[C@@H](C)c1ccc(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)cc1 587630732 BVGQNDOGZNXRIP-LLVKDONJSA-N 358.844 6.035 0 1 FKAF Fc1cc(Cl)cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587949656 KCKOUEQYZFOTSE-KHPPLWFESA-N 364.807 6.318 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2cc(Br)cc(Cl)c2[nH]1 587955582 QMSQQYAZRMAKTF-UHFFFAOYSA-N 363.686 5.613 0 1 FKAF CCCN1[C@H](c2cc(Cl)ccc2OCC(C)C)c2ccccc2C[C@H]1C 963230821 AYPXMJSLVGPKST-HXOBKFHXSA-N 371.952 6.121 0 1 FKAF CN(c1ccc2c(ccn2C)c1)c1cc(C(F)(F)F)nc2ccccc12 1857541671 HIHMOXMANJKETQ-UHFFFAOYSA-N 355.363 5.513 0 1 FKAF COc1ccccc1C(=O)c1sccc1-c1cccc(C(F)(F)F)c1 1857771487 HEPPZYJPFBGTKA-UHFFFAOYSA-N 362.372 5.674 0 1 FKAF CC1=C[C@H](CNC(C)C)[C@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356311247 YKRVTFSBFKRAFD-AQNXPRMDSA-N 353.554 5.266 0 1 FKAF CO[C@]1(C)CC[C@]2(C)[C@H](OC(C)=O)C[C@]3(C)[C@H](C(C)C)CC[C@@H]3[C@]23C[C@@H]31 2356395788 WQESESDLEKDWLI-NIRDNUPNSA-N 362.554 5.222 0 1 FKAF CC(=O)OCC=C(C)CC[C@@H]1C(C(=O)O)=CC[C@H]2C(C)(C)CCC[C@]12C 2356752777 QCCOWTLREYYOFG-XQBPLPMBSA-N 362.510 5.140 0 1 FKAF COc1ccc([C@H](c2cc3ccccc3o2)c2[nH]c3ccccc3c2C)cc1 2382245129 TXKYPOQBWLQOHQ-XMMPIXPASA-N 367.448 6.411 0 1 FKAF CC(=O)N[C@H](c1ccccc1)c1nc(-c2cccc(C(C)C)c2)cs1 61905978 QGNSZZUSUXLSGT-HXUWFJFHSA-N 350.487 5.159 0 3 FKAF CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccc(F)cc1)c1cccc(Cl)c1)C2 13800141 ISSICWWQXUMDRL-JKWVGCSGSA-N 359.872 5.210 0 1 FKAF C[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13863311 JGPZDCPWUMWMJI-GOSISDBHSA-N 360.457 5.574 0 1 FKAF CN(C)CCOc1ccc([C@@H](c2ccc(Cl)cc2)c2cccs2)cc1 29130539 XMUCAPDWXCRGEY-OAQYLSRUSA-N 371.933 5.522 0 1 FKAF CC[C@@H](/C=C/c1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl 43511366 DRBCUSLIQWBAJB-GUOLPTJISA-N 359.218 7.219 0 1 FKAF CCCC(=O)Nc1cccc(NC(=O)c2ccccc2-c2ccccc2)c1 55549579 JHAWZIFGUYLONA-UHFFFAOYSA-N 358.441 5.345 0 1 FKAF Clc1ccc(Nc2ncc(-c3ncc4n3CCCC4)cc2Cl)cc1 66074752 VWPKCLDSEUHBJO-UHFFFAOYSA-N 359.260 5.332 0 1 FKAF CCc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1 66111646 XESKVJLHQVMKDM-UHFFFAOYSA-N 362.395 5.120 0 1 FKAF O=C1OCC(Nc2cc(Cl)cc(Cl)c2)=C1c1cccc(Cl)c1 72117058 WXSUCRSZOJLYPM-UHFFFAOYSA-N 354.620 5.027 0 1 FKAF CC[C@@H](C)Nc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccco2)n1 82166095 WLXQPWLJEHEIKG-CQSZACIVSA-N 374.444 5.577 0 1 FKAF COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(O)c3)c2)cc1O 84689372 HAKTZEMLUXAAKP-CDJQDVQCSA-N 374.436 5.456 0 1 FKAF Fc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc3[nH]ccc23)cc1 95571774 JBLFPGGFDBDDSL-UHFFFAOYSA-N 354.388 5.426 0 1 FKAF CC(C)c1c(O[C@H]2CCCC[C@@H]2C)cc(Cc2ccc(Cl)cc2)[nH]c1=O 95587659 BPUZMPXCUWYQIB-KXBFYZLASA-N 373.924 5.700 0 1 FKAF COc1cc(OC)c2c(=O)cc(-c3ccc(-c4ccccc4)cc3)oc2c1 96142770 WJRWVIWYDZLXJG-UHFFFAOYSA-N 358.393 5.144 0 1 FKAF Fc1ccccc1-c1nc2ccn(Cc3ccc(C(F)(F)F)cc3)cc-2n1 100068474 MSZBYSLTRYXXBB-UHFFFAOYSA-N 371.337 5.256 0 1 FKAF C[C@@H]1CCc2c(nc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)C1 103168667 NBXVRBUWBMRGAG-LLVKDONJSA-N 357.379 5.023 0 1 FKAF CC(=O)N1c2ccc(-c3ccccc3)cc2[C@H](Nc2ccccc2)C[C@@H]1C 208288931 HXJWEYPXEZZATP-GAJHUEQPSA-N 356.469 5.652 0 1 FKAF CCCCSCSC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253693407 WQIBDBVSAJGYND-UBXVMWHMSA-N 372.596 5.205 0 1 FKAF 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@]12C 299805754 AZFLHSKQKSZOET-XBPFTBONSA-N 374.565 5.283 0 1 FKAF O=C(Nc1ncc(Cc2ccc3ccccc3c2)s1)C1CCCCC1 299871563 YQTCLGHANDTNIM-UHFFFAOYSA-N 350.487 5.406 0 1 FKAF c1ccc(COc2cccc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c23)cc1 586892907 YBOOFCHYLHTJSD-CPJSRVTESA-N 366.464 5.513 0 1 FKAF O=C1O/C(=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)c2ccccc21 586907769 WRRYWNJBJZVCEV-DEDYPNTBSA-N 370.433 5.383 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2cc3ccccc3cc2[nH]1 587066469 OJUSFUJKMFBLFZ-UHFFFAOYSA-N 350.849 5.690 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3ncc(Br)cc3[nH]2)cc1 587162998 FICHXAQRANDXCT-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)ccc1Cl)CC2=O 587460361 FPWQUCZTKBGOQT-IBGZPJMESA-N 365.256 5.532 0 1 FKAF C[C@@]1(c2ccccc2C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602635 KMZFPVMCYXPNEN-URXFXBBRSA-N 372.420 5.147 0 1 FKAF CCOC(=O)c1c(-c2cc(F)c(F)cc2F)[nH]c2ccc(F)c(Cl)c12 587629257 GYVMZEBHAKNSTO-UHFFFAOYSA-N 371.717 5.221 0 1 FKAF CCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc([C@@H](C)CC)cc12 587642663 PDESFYHIHUVAHY-AWEZNQCLSA-N 359.435 7.320 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cccc(Cl)c3C)c2c1 587642885 WUIHXLDYEYQDEO-GFCCVEGCSA-N 354.881 6.204 0 1 FKAF Cc1cccc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 587801732 HXCUISBLZAIOMI-JEOXALJRSA-N 373.269 5.002 0 1 FKAF CC/C=C\CCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587819080 KTUHDJXXXMXREH-YFKXMMLCSA-N 354.307 5.690 0 1 FKAF CC(C)=C1CC[C@H](C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587819244 UNWPOCBLRPALAR-WTOJCKNJSA-N 366.318 5.474 0 1 FKAF O=C(c1ccc(-c2ccccc2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874214 XMJITVCILDPXNN-UHFFFAOYSA-N 356.356 5.150 0 1 FKAF CCCCCC1CCC(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)CC1 587874613 GGZGZOHRQJPDFY-UHFFFAOYSA-N 356.441 5.822 0 1 FKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(C)c(Br)cc2[nH]1 587931352 SDWKKRGSGGKUJH-DJJJIMSYSA-N 371.278 5.088 0 1 FKAF CC(C)(C)[C@]1(c2ccc(F)cc2)NCCc2cc(-c3ccccc3)ccc21 962664128 IKQPFEBGBOWYCY-RUZDIDTESA-N 359.488 5.928 0 1 FKAF C[C@@H]1CCCCCCCCCC[C@]12NC[C@H]1CC(=O)N(C)c3cccc2c31 963038714 YAGZSRRFDKEFEG-IECBHUPTSA-N 368.565 5.486 0 1 FKAF CC(=O)OCC=C(C)CCC=C(C)CCC=C(CCC=C(C)C)C(=O)O 2356455329 ORSAOVRZIKEJLG-UHFFFAOYSA-N 362.510 5.760 0 1 FKAF CCC(CC)C(=O)N(C)c1c(C)nc2c(OCC3CCCCC3)cccn12 61929694 OGFUBAGLMPTOIT-UHFFFAOYSA-N 371.525 5.001 0 3 FKAF COc1ccc(-c2c(-c3ccc(OC)c(F)c3)c3ccccc3n2C)cc1 61969125 LJMZNFNMSMDQKF-UHFFFAOYSA-N 361.416 5.669 0 3 FKAF COc1ccc(-c2nc3ccc(Cl)cn3c2CC(C)(C)C)cc1OC 95568029 LMWFJVIJDUZZQT-UHFFFAOYSA-N 358.869 5.261 0 3 FKAF CC(C)SC(=S)Sc1c(Cl)c(Cl)nc(Cl)c1Cl 1658735 HNSSCORUAIQCTQ-UHFFFAOYSA-N 367.175 6.214 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2[C@H](C)CCC1 33827482 XOZQPDXSJUBMOT-KSZLIROESA-N 370.577 7.457 0 1 FKAF CCC(=O)C(Cc1ccc(/C=C/c2ccc(Cl)cc2)cc1)C(=O)CC 34075123 BISGBTMOBWEHEI-AATRIKPKSA-N 354.877 5.627 0 1 FKAF O=C(Nc1cccc(-c2ccccc2)c1)Oc1cccc(-c2ccccc2)c1 40835352 GJGNAZXEUGJLTC-UHFFFAOYSA-N 365.432 6.632 0 1 FKAF in-vivo Cc1ccc(-c2cc(-c3cccs3)nc(-c3cc(C)sc3C)c2)o1 45337703 XVJAYPCHSYGLRL-UHFFFAOYSA-N 351.496 6.724 0 1 FKAF Cc1onc(-c2cccc(Cl)c2)c1C(=O)N(C)c1ccc(Cl)cc1 45372590 DZAWKLYTBHOELK-UHFFFAOYSA-N 361.228 5.233 0 1 FKAF CC(C(=O)N(C1CCCCC1)C1CCCCC1)(C(F)(F)F)C(F)(F)F 59942250 XGCHKVCDOJXKIB-UHFFFAOYSA-N 373.381 5.611 0 1 FKAF biogenic CCc1cnc(-c2cnc(NC3CCCC3)nc2-c2ccccc2F)s1 82175062 LUDQSJPWTAXWPB-UHFFFAOYSA-N 368.481 5.323 0 1 FKAF COc1ccc([C@@]23Sc4cc(C)ccc4N=C2c2ccccc2C3=O)cc1 84723048 FUEYITIIADBGOH-HSZRJFAPSA-N 371.461 5.322 0 1 FKAF CCCCCc1cc(OC(N)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 87722514 NXVLZPHLLZMRID-IAGOWNOFSA-N 357.494 5.488 0 1 FKAF O=C(c1ccc(Oc2ccccc2)cc1)c1cc2c(Cl)c(O)ccc2[nH]1 95558132 WHEJYLTVUKSNEC-UHFFFAOYSA-N 363.800 5.550 0 1 FKAF Clc1ccc(Nc2nc(-c3cccc(Cl)c3Cl)cs2)cc1 103276456 JWEWQDLMIFYUSJ-UHFFFAOYSA-N 355.677 6.514 0 1 FKAF COc1ccc(C2=C(c3ccccc3)C(C)(C)Oc3cc(O)ccc32)cc1 169345341 NIXVECYKVACFEK-UHFFFAOYSA-N 358.437 5.531 0 1 FKAF CCCCCCc1c(CC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992343 VQJRBLJVDMNUOE-UHFFFAOYSA-N 359.469 5.837 0 1 FKAF CCOc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992667 RJLPBLIXAIHKGA-UHFFFAOYSA-N 367.404 5.218 0 1 FKAF Cc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C 586992774 ZMLLHSSKRRHYNG-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF Cc1ccc2c3c(cc(Cc4ccc(F)cc4)nc13)-c1ccccc1C2=O 586994683 BWLFZLDNYPLFPM-UHFFFAOYSA-N 353.396 5.485 0 1 FKAF Oc1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1 587048808 YSUACGYUQGUMFQ-UHFFFAOYSA-N 355.224 5.909 0 1 FKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)ncc3[nH]2)cc1F 587148566 CIHUQQNIJSMTNN-GOSISDBHSA-N 371.774 5.058 0 1 FKAF O=C(c1cc(C(F)(F)F)ccc1Cl)c1coc2ccc(Cl)cc12 587278401 LQBBJBKUGHBXNE-UHFFFAOYSA-N 359.130 5.989 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C)c(Cl)c3)o1)O2 587373321 CQBNDEVNGSHKAK-FQEVSTJZSA-N 367.832 5.506 0 1 FKAF Cc1ccsc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379519 YOYINSHSMTWEEK-WIYYLYMNSA-N 368.429 5.176 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(OC(F)F)ccc3ccccc13)O2 587382196 KBCBIDIWFUAUOA-SFHVURJKSA-N 369.367 5.038 0 1 FKAF CCCC[C@H](OC)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399240 HMZASKMCSGFNSS-GMAHTHKFSA-N 367.489 5.336 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(F)cc4)s1)[C@@H](C2)C3=O 587426298 BYEKUTSGJCXAPP-YCRPNKLZSA-N 366.413 5.052 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(C(C)C)cccc31)CC2=O 587484719 HVGRCENKJKJQJI-QHCPKHFHSA-N 366.457 5.111 0 1 FKAF O=C1C[C@](c2ccccc2)(C2CCCCC2)Oc2c1ccc1c2CCCC1 587524057 JVFJGZBPQAZTBY-VWLOTQADSA-N 360.497 6.006 0 1 FKAF CSc1ccc2c(c1)[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587533209 RGTXUYBLFFTCHI-JOCHJYFZSA-N 350.483 5.094 0 1 FKAF Fc1ccc2[nH]c(C(F)(F)Br)c(-c3ccccc3)c2c1Cl 587629099 UGVBIBCWMVSHDH-UHFFFAOYSA-N 374.587 6.072 0 1 FKAF Clc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2n1 587783565 CMZZRKHKYFTHFB-JYRVWZFOSA-N 361.832 5.361 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC2CCCC2)N1 587813234 NLJMZVMFVAENOA-SGTLLEGYSA-N 354.307 5.308 0 1 FKAF Cc1cccc([C@@]2(c3ccccc3Cl)NCCc3c2sc(C)c3C)n1 963011241 ORUDRBDFLWNCNM-OAQYLSRUSA-N 368.933 5.159 0 1 FKAF Cc1nc(-c2ccc(F)cc2)sc1[C@@]1(C)NCCc2c1sc(C)c2C 963023155 LHWZKIBTTYLUOX-HXUWFJFHSA-N 372.534 5.345 0 1 FKAF CCCN1[C@@H](C2(CCC(N)=S)CCCCC2)c2ccccc2C[C@H]1C 963232330 RLGNYHITTUPUIZ-DYESRHJHSA-N 358.595 5.401 0 1 FKAF Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1ccccc1F 1772608067 DWAOCTUOHOKHBK-UHFFFAOYSA-N 356.400 5.602 0 1 FKAF CC(C)c1ccc(OCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1 1772650748 CYWCZWOIGSEJCX-UHFFFAOYSA-N 360.457 5.224 0 1 FKAF Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C2CCC2)CC1 1857608985 OBYZXZTZGSQEQS-UHFFFAOYSA-N 364.920 5.284 0 1 FKAF CCCCCC=CCC=CCCCCCCCC(=O)NCc1cccnc1 2356336451 MLYVBAFDBYQXMS-UHFFFAOYSA-N 370.581 6.511 0 1 FKAF CCCCC=CCCCCCCCCCc1cc(OC)cc(OC)c1O 2356483995 GBCXPDPXQWPCTG-UHFFFAOYSA-N 362.554 6.819 0 1 FKAF Fc1cc(F)cc(CNc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1 2382249320 QNTSEJJXGJAWBN-GQCTYLIASA-N 362.383 5.019 0 1 FKAF CC(C)c1ccc(O[C@](C)(C(=O)O)[C@H]2CCc3cc(Cl)ccc32)cc1 13604949 DKPBVAWRUCRJLI-FPOVZHCZSA-N 358.865 5.416 0 1 FKAF CCCCCC[C@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708106 VSTFKYJXYVRGDG-HSZRJFAPSA-N 351.534 5.682 0 1 FKAF in-vivo CCCn1c(-c2ccccc2)c(C2=CC[C@H](C(=O)O)CC2)c2ccccc21 29397088 DFXXFWNLQFOPCR-IBGZPJMESA-N 359.469 5.986 0 1 FKAF COC(=O)c1ccccc1SC/C=C(\C)CC/C=C(\C)CCC=C(C)C 29462190 VSEDGUQFBMASFM-YEFHWUCQSA-N 372.574 6.985 0 1 FKAF C[C@]12CCC=C[C@H]1[C@H](c1ccc3ccccc3c1)N(Cc1ccccc1)C2=O 36388225 DLLSCTDMHJGMPP-GNKBHMEESA-N 367.492 5.896 0 1 FKAF CCCN(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 39178850 KYGHCTBUKLTCSX-UHFFFAOYSA-N 365.517 6.282 0 1 FKAF Cn1c(C(=O)Nc2cccc(COc3ccccc3)c2)cc2sccc21 40786274 ZIZDDBQHHRMGBR-UHFFFAOYSA-N 362.454 5.071 0 1 FKAF FC(F)(F)c1ccc(COc2cc(Cl)ccc2Cn2ccnc2)cc1 45228121 HTFJRAWCYIUZHD-UHFFFAOYSA-N 366.770 5.183 0 1 FKAF CC[C@@H](c1ccccc1)c1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1 45384365 HDVJQXALBFFODC-INIZCTEOSA-N 371.889 5.633 0 1 FKAF Fc1ccc([C@@H]2C[C@H]3CC[C@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1 66111517 LSHLQBBAJNMIOH-KSCDAYEDSA-N 365.473 6.016 0 1 FKAF CCC(=O)c1ccccc1N[C@](C)(OC(C)C)c1onc2ccccc12 68588232 UMKWWKNATUSQQV-OAQYLSRUSA-N 352.434 5.130 0 1 FKAF biogenic Fc1ccc(CCCCN2[C@H]3CCC[C@H]2c2c([nH]c4ccccc24)C3)cc1 100758018 HFDHTQNBCFVPGS-CVDCTZTESA-N 362.492 5.782 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(N[C@@H](C)c2ccccc2)nn1 103293806 XZHMWVJKPWPUEI-AWEZNQCLSA-N 357.379 5.644 0 1 FKAF CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccco3)[C@H]1[C@@H]2C 109050923 YMIQZMUWJPTDGH-AFOWIFMISA-N 366.457 5.043 0 1 FKAF biogenic Clc1ccccc1-c1ncccc1CC(c1cccnc1)c1cccnc1 114777801 MSZGDWBPXMYARO-UHFFFAOYSA-N 371.871 5.567 0 1 FKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCCC/C=C\CCCC(=O)O 169636529 YFFYZNLBGSMHGN-AGCGBGRBSA-N 352.603 7.627 0 1 FKAF Fc1ccc([C@H](CC2CNC2)Oc2ccc(Cl)c(Cl)c2)cc1F 299837647 KHACQPYREOXZTB-KRWDZBQOSA-N 358.215 5.001 0 1 FKAF CC/C=C/CCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586992456 WLVNPXSEHDHKMQ-ONEGZZNKSA-N 357.453 5.831 0 1 FKAF FC(F)(F)c1nc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2[nH]1 587120720 UKLNQQRZNNPOAZ-UHFFFAOYSA-N 352.319 5.278 0 1 FKAF Cc1ccc(/C=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1F 587144595 LPVJHRIPSSKIQG-XFXZXTDPSA-N 360.457 6.332 0 1 FKAF Fc1ccccc1CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587150760 SJROIYLTMJORLE-UHFFFAOYSA-N 358.722 5.039 0 1 FKAF O=C(O)c1ccc(-c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)c(F)c1 587210655 UODYIHGALFGYPD-UHFFFAOYSA-N 369.395 5.505 0 1 FKAF COc1ccc(C)cc1NCCCc1nc2cccc(C(C)(C)C)c2[nH]1 587228764 GUQKSQOPCFKQOV-UHFFFAOYSA-N 351.494 5.222 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)Sc1ccc(Cl)cc1)O2 587410709 WQBOBNAWJMSSRP-QGZVFWFLSA-N 361.894 5.135 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cccc(O)c3)c1)CC2=O 587485409 VGLJYWHWGPIKDB-QHCPKHFHSA-N 374.436 5.424 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)sc1Cl)CC2=O 587491574 LPJSDNZTLLHXCH-QGZVFWFLSA-N 371.285 5.594 0 1 FKAF O=C1C[C@@H](c2ccc(OC(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587509777 WGTXRSAXVJJMDX-SFHVURJKSA-N 362.347 5.171 0 1 FKAF CC1=CC(C)(C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587819989 XQXXKOQURTVVNW-KZULUSFZSA-N 352.291 5.084 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccc(F)cc1Cl)C1CC1 963225823 GGVGPUBXICOHPO-OYHNWAKOSA-N 357.900 5.789 0 1 FKAF CN1c2c(ccc3ccccc23)-c2ccccc2[C@@H]1c1c[nH]c2ccccc12 1857646816 HIEQYEBJCZVEEC-AREMUKBSSA-N 360.460 6.527 0 1 FKAF CC(C)(C)c1ccc(-c2ccsc2C(=O)c2ccccc2Cl)cc1 1857654106 IRBDRZURQRQWSA-UHFFFAOYSA-N 354.902 6.597 0 1 FKAF CO[C@@H]1CCCN(Cc2cc(-c3ccc(C(C)C)cc3)n(C(C)C)c2C)C1 1857766152 BOCMCSQMDJGWMB-HSZRJFAPSA-N 368.565 5.779 0 1 FKAF CC(=O)c1c(O)cc(O)c(CC=C(C)C)c1OCC=C(C)CCC=C(C)C 2356552123 DNGVXKIUIXFMKL-UHFFFAOYSA-N 372.505 5.881 0 1 FKAF C[C@@H]1CC=C[C@]2(CCC[C@@H]3[C@@H](Cc4cc(O)cc(CCO)c4)CCC[C@H]32)C1 2356634411 HCZIZZTYUPOQQP-FOZFXHKVSA-N 368.561 5.658 0 1 FKAF Cc1cccc(Nc2ncc(Br)c(Oc3cccc(F)c3)n2)c1 2382216861 COWFYHBXKKBJRI-UHFFFAOYSA-N 374.213 5.223 0 1 FKAF Cc1cc(F)cc(CNc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1 2382256146 KMEGQNKGSCVGJZ-FNORWQNLSA-N 358.420 5.188 0 1 FKAF CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1 2481723 VHFKWUWTTAUOBV-AWEZNQCLSA-N 368.864 5.436 0 1 FKAF CCOc1ccccc1/C=C/c1ccc2c(Cl)cc(Cl)c(O)c2n1 6339007 RBWPWFRMJICRQV-BQYQJAHWSA-N 360.240 5.816 0 1 FKAF O=C(CCCCCCOc1ccc(-c2ccccc2)cc1)c1nccs1 13587151 ZMJWOICDEPFQMZ-UHFFFAOYSA-N 365.498 6.022 0 1 FKAF CCOC(=O)c1oc2cc(-c3ccc(Cl)cc3Cl)cc(O)c2c1C 28373687 RIYLEVMSFWETDM-UHFFFAOYSA-N 365.212 5.597 0 1 FKAF O=C(c1cccc2ccccc12)N1c2ccccc2Sc2ccccc21 28826855 JJKRMXKTTVOCBF-UHFFFAOYSA-N 353.446 6.283 0 1 FKAF in-vivo C/C(=C1/SC(=S)N=C1O)c1cccc2oc(-c3ccccc3)nc12 33828005 PBINBXJGQBPLOV-GDNBJRDFSA-N 352.440 5.214 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccccn2)C[C@@H](c2ccccc2)C1 102563693 XVGNNWYEOHOOTA-MZNJEOGPSA-N 367.452 5.711 0 1 FKAF CCSc1ccc(CN2CCC[C@H](Cc3ccc4[nH]ncc4c3)C2)cc1 169697408 HOPPMEHKDBCSGB-LJQANCHMSA-N 365.546 5.130 0 1 FKAF Fc1ccc2nc(-c3ccccc3)cc(NCCCN3CCCCC3)c2c1 208043258 SIXZZLZLZIFGLV-UHFFFAOYSA-N 363.480 5.329 0 1 FKAF Clc1cc(Br)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586884263 PELASJDZMMMBNE-PRTSGDIISA-N 365.702 5.447 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)cc2)o1 586903161 MHOHATDWYBKMIC-UHFFFAOYSA-N 358.319 5.697 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](C(F)(F)F)CCC3 586987493 XFOGHMMSAWLIHD-CYBMUJFWSA-N 369.342 5.134 0 1 FKAF CC(C)CC[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991165 KSWISSPCOFEWIP-CQSZACIVSA-N 357.453 5.618 0 1 FKAF COc1cccc(-c2ccc(-c3nc4ccc(F)c(C)c4[nH]3)c(Cl)c2)c1 587052210 KQABAVHJHHOQNO-UHFFFAOYSA-N 366.823 6.006 0 1 FKAF Clc1cccc(/C=C/c2nc3c(Cl)cnc(Cl)c3[nH]2)c1Cl 587054647 PRQLLTDIMZVZIL-SNAWJCMRSA-N 359.043 5.742 0 1 FKAF Cc1ccc2c(ccc3nc([C@H](C)c4ccccc4C(F)(F)F)[nH]c32)n1 587098627 RDFOOKMEUCBYJT-GFCCVEGCSA-N 355.363 5.590 0 1 FKAF COc1ccc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587099329 ZLLSEEMLMCKHMP-UHFFFAOYSA-N 365.432 5.354 0 1 FKAF O=C(O)Cc1ccc(-c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)cc1 587215213 JOXUYWDDDAJKJM-UHFFFAOYSA-N 365.432 5.295 0 1 FKAF CC[C@@H]1C[C@H](C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349681 COJZHFQBBSCSCT-LTRBUQALSA-N 368.448 5.475 0 1 FKAF C[C@H]1C[C@H](C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354627 OHCYNBGWBMCFNH-NUGMEJGNSA-N 354.421 5.085 0 1 FKAF Cc1cccc(COc2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)c1 587399170 IRZBXKBSIMABOY-HSZRJFAPSA-N 373.452 5.171 0 1 FKAF O=C1C[C@H](c2cc(F)c(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587501297 BKFRUEYJZPVCFF-GOSISDBHSA-N 365.231 5.718 0 1 FKAF C[C@@]1(c2ccc(F)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587510813 WZSCVQUAGRCCBG-DEOSSOPVSA-N 360.428 5.738 0 1 FKAF CCc1ccc(-c2cnc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587515430 NRKDNFBATWAWOU-OAQYLSRUSA-N 373.452 5.489 0 1 FKAF CC(C)(Sc1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587531223 GRIQOUFALJTMNY-FQEVSTJZSA-N 352.499 5.470 0 1 FKAF CC(C)(C)c1[nH]c2cc(F)ccc2c1Cc1ccc(Br)cc1 587632758 OPKRYCNRBBAIFK-UHFFFAOYSA-N 360.270 5.958 0 1 FKAF Cc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1C 587784595 SDOPBXIAQNHGKD-JLHYYAGUSA-N 354.453 5.929 0 1 FKAF CCCC[C@H](CC)C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821741 XHTHZVBCJUJFSX-WWGRRREGSA-N 356.323 5.770 0 1 FKAF CCC[C@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587845236 DALULYPWITWCLQ-APPDUMDISA-N 368.315 5.228 0 1 FKAF Fc1ccc(-c2csc(COc3ccc(Cl)cc3Cl)n2)cc1 587923137 QHHKGZPKLMJGHL-UHFFFAOYSA-N 354.233 5.835 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 587964704 GRIYRWIXMYKGHH-UHFFFAOYSA-N 350.359 5.560 0 1 FKAF COc1ccc2c(c1)[C@](C)(CSc1ccc(Cl)cc1)N[C@@H]1CC[C@H]21 962995281 MQRDAEARWAZCBB-RLLQIKCJSA-N 359.922 5.205 0 1 FKAF Fc1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c(Cl)c1Cl 963107098 LVWQIIDEHWATAY-HNNXBMFYSA-N 365.062 5.674 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3F)nc3c2Cc2cccc(O)c2-3)c1 1857550512 BJPLCRZBOJYMEU-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF O=C(c1cnc(Nc2cccc(Oc3ccccc3)c2)[nH]1)c1ccccc1F 1857596781 PYVSNMKYUCGNBS-UHFFFAOYSA-N 373.387 5.316 0 1 FKAF C[C@@]12C=C(C=CC=Cc3ccco3)[C@@](C)(C1)[C@H](C=Cc1ccco1)CC2=O 1857621848 UQMOFGNDJAVHLT-QFWMQHCXSA-N 360.453 6.087 0 1 FKAF COC(=O)c1cc(O)c2c(c1)C[C@]1(O2)[C@H](C)CC[C@@H]2C(C)(C)CCC[C@@]21C 2356714626 DEEMHJXPOBTJEP-VLCIQMGPSA-N 372.505 5.115 0 1 FKAF CC(C)CCCCCCCCCCCC(=O)N1CCC[C@H]1c1cccnc1 2356810078 AWCCLYKTCVGTAF-QHCPKHFHSA-N 372.597 6.692 0 1 FKAF Cc1c([C@@H](c2ccccc2)c2cc3cc(Cl)ccc3o2)[nH]c2ccccc12 2382226826 PRMWATVZOWXOEH-QHCPKHFHSA-N 371.867 7.056 0 1 FKAF COC(=O)[C@H](C)/C=C/C=C(\C)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@]12C 14615413 KIYHLAKXAOIJFX-XBQNIVPXSA-N 372.593 7.021 0 1 FKAF Cc1ccc2c(Cc3ccncc3)nnc(Nc3ccc(Cl)cc3)c2c1 14944712 YVMDSPWVEDPXJR-UHFFFAOYSA-N 360.848 5.321 0 1 FKAF NC(=O)c1ccc2oc(N[C@H](CC3CCCCC3)c3ccccc3)nc2c1 27999298 VCFHQHPZXNZFJD-GOSISDBHSA-N 363.461 5.050 0 1 FKAF Cc1ccc(C(=O)Nc2oc(-c3ccccc3)nc2-c2ccccc2)s1 35272368 YPZRXZIFHWRINF-UHFFFAOYSA-N 360.438 5.631 0 1 FKAF C[C@H]1C[C@H](NCc2coc(-c3ccc(C(C)(C)C)cc3)n2)CC(C)(C)C1 72183417 RZPBXQGJNXXEOS-LPHOPBHVSA-N 354.538 5.944 0 1 FKAF CCCCCOc1ccc(-c2nc(CN[C@H](C)CCCCC)co2)cc1 72183459 WADIFDYQVFCKFK-GOSISDBHSA-N 358.526 5.969 0 1 FKAF Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccccc2Cl)cc1 84723491 SHRYQWWHWSNNCG-KRWDZBQOSA-N 360.888 6.198 0 1 FKAF C[C@@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1 84726820 QZTFKMDNUMGOGL-GFCCVEGCSA-N 361.338 5.489 0 1 FKAF C[C@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(Cc3ccccc3)c2c1 95553076 ZZAOICGAGLQNDH-AWEZNQCLSA-N 363.844 5.684 0 1 FKAF CCCCCc1cc(OC)c(C2=C[C@@H]3CC[C@@]2(CO)C3(C)C)c(OC)c1 117477136 JGZCPDOWBUWFGZ-SBUREZEXSA-N 358.522 5.248 0 1 FKAF O=C(O)c1ccc2cc(-c3ccc[nH]3)cc(-c3cccc4ccccc34)c2n1 118076933 RSHSGQQZDAKAOC-UHFFFAOYSA-N 364.404 5.748 0 1 FKAF in-vitro CC(C)Nc1c(-c2cccc(Cl)c2)nc2ccc(C(F)(F)F)cn12 207020514 WZUBEZISDJUWBT-UHFFFAOYSA-N 353.775 5.494 0 1 FKAF COc1ccccc1Sc1c(O)c(-c2cccnc2)cc2ccccc12 299823426 DQILBIVDCLMKJM-UHFFFAOYSA-N 359.450 5.767 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 586964284 WXCQBQZQQCSENR-KRWDZBQOSA-N 374.509 6.136 0 1 FKAF Cc1ccc(-c2cc(-c3nc4c(C)nccc4[nH]3)c3cccc(Cl)c3n2)o1 587083256 LCBJAVXPOUFNEM-UHFFFAOYSA-N 374.831 5.703 0 1 FKAF Fc1cccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1C(F)(F)F 587098080 QUBYNSDBZOQXJK-UHFFFAOYSA-N 372.321 6.180 0 1 FKAF Cc1nc2ccccn2c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106256 MBZASWQSXSXBLH-UHFFFAOYSA-N 361.404 5.069 0 1 FKAF Cc1ccc(NC2(c3nc4cc(Cl)c(F)c(F)c4[nH]3)CCCC2)cc1 587236669 CVLILJJSHACBIF-UHFFFAOYSA-N 361.823 5.684 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccc(F)cc3)cc2)Oc2c1ccc1c2CCCC1 587508712 QHFJMMVTBIWBKH-XMMPIXPASA-N 372.439 6.078 0 1 FKAF O=C1C[C@H](c2ccc(F)c(OCC3CC3)c2)Oc2c1ccc1c2CCCC1 587509071 WWGGQYPDRAIYFC-OAQYLSRUSA-N 366.432 5.200 0 1 FKAF Cc1cccc([C@]2(c3ccccn3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587516293 VKYAZJBAQBBSQD-VWLOTQADSA-N 369.464 5.178 0 1 FKAF CCOc1cc2c(cc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 587525089 PQCIAPCIZDPOEK-QHCPKHFHSA-N 362.469 5.159 0 1 FKAF Cc1c(CC(=O)c2ccc(C(F)(F)F)cc2)[nH]c2c(C)cc(Cl)cc12 587625003 YNIPCSMVRAGKNU-UHFFFAOYSA-N 365.782 5.882 0 1 FKAF O=C(O)c1cccc2c(Nc3ccc(Cl)cc3)c(-c3ccccc3)[nH]c12 587638460 LWYUAPDFGVIWBM-UHFFFAOYSA-N 362.816 5.930 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccccc3Cl)c2c1 587641308 MKSFMQOBAQDFDC-GFCCVEGCSA-N 369.848 5.352 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cccc(F)c1 587865024 OWQUIQXPKWXRFU-UHFFFAOYSA-N 364.342 5.155 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1c(Cl)cc(F)cc1Cl 587870870 KKQIIYDVUGVNGQ-UHFFFAOYSA-N 369.198 5.523 0 1 FKAF COc1cccc(CCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587932505 YUFWJANAUICULS-UHFFFAOYSA-N 354.759 5.029 0 1 FKAF CC(C)(C)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2n1 587949836 LCNLJDVSNMSUIA-DTQAZKPQSA-N 369.468 6.218 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2ccc(CCO)cc2[nH]1 587957451 LNJAUYCNQIHSPW-UHFFFAOYSA-N 374.525 5.016 0 1 FKAF COc1ccc2nc(Cl)c(/C=C\c3cccc(C(F)(F)F)c3)cc2c1 653787470 VTFXTCOANAEBJC-WAYWQWQTSA-N 363.766 6.086 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2-c2nccs2)N1 962943388 GRQHGMZNGGWQDS-XOBRGWDASA-N 359.498 5.305 0 1 FKAF COc1cccc([C@H]2Oc3ccc(F)cc3[C@H]2c2ccc(F)c(F)c2)c1 1857748066 OGHWHJKXKKYJGE-NHCUHLMSSA-N 356.343 5.378 0 1 FKAF COC(=O)C[C@H](C)CC[C@@]1(C)[C@@H]2C[C@H](OC)C=C(C)[C@@]2(C)CC[C@H]1C 2356397565 FBXQLGSYECWVHN-XBSLQCMUSA-N 350.543 5.390 0 1 FKAF COC(=O)CC[C@@]12C3=CCC[C@H]3CC[C@H]3C=N[C@H]1[C@H](C(C)C)CC[C@]32C 2356645040 CPDMKDOXBXJZGN-TWVSWZBHSA-N 357.538 5.198 0 1 FKAF CC(=O)OC=C1CC[C@H](C)[C@@](C)(CCc2ccoc2)CC=CC=C1C(=O)O 2356694820 JRQGPOFUTKGREC-KSFYIVLOSA-N 372.461 5.053 0 1 FKAF CCCC[C@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](c2ccc3ccccc3c2)O1 72133471 BRWDSDGKSUQEQC-GHTZIAJQSA-N 366.457 5.424 0 3 FKAF CC(C)c1ccc(O[C@@](C)(Cc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 13604812 MADXCKGWQPBQBL-QHCPKHFHSA-N 354.490 5.572 0 1 FKAF CC(C)(C)c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)ccn2)cc1 14974019 DNYGDIASPUKZHD-UHFFFAOYSA-N 360.457 5.561 0 1 FKAF CC(/C=C/C=C(\C)COc1ccc(C(C)(C)C)cc1C(C)(C)C)=C\C(=O)O 29555315 HFTSTEFOQJACOR-MIJXZNDSSA-N 370.533 6.194 0 1 FKAF Cc1c2c(c(C[C@@H](C)CC(C)(C)C)c3c1Oc1ccccc1O3)C(=O)OC2 35090901 AIBMXNJYKFKMIA-CYBMUJFWSA-N 366.457 6.178 0 1 FKAF Cc1ccc([C@@H](CC(=O)c2cccc(Cl)c2)Sc2ccccc2)cc1 72113016 RETHZZNFLLDIOG-JOCHJYFZSA-N 366.913 6.755 0 1 FKAF O=C(Cc1cccc(Oc2ccccc2)c1)Nc1ccc(C(F)(F)F)cc1 73222976 ONVIYFFLBVLONK-UHFFFAOYSA-N 371.358 5.679 0 1 FKAF CCCCOCCCNc1cc(-c2cccc(-c3ccccc3)c2)ncn1 82160794 GFVPWXOOQSFBHM-UHFFFAOYSA-N 361.489 5.429 0 1 FKAF Cc1ccc(SC[C@@H](O)Cn2c(-c3ccccc3)cc3ccccc32)cc1 84689917 YQHLRFLYSBGOFE-NRFANRHFSA-N 373.521 5.770 0 1 FKAF CC(=O)OC[C@H](C)CCC[C@H](C)[C@@H]1CC[C@H](C)[C@]12CC=C(C)[C@H](O)C2 85983260 PHWZKSVZUYICPH-JUFXMVFKSA-N 350.543 5.126 0 1 FKAF biogenic COc1ccc([C@@H](CC(=O)c2cc3ccccc3o2)Nc2ccccc2)cc1 103174588 HIHLZCFBFDZXKA-OAQYLSRUSA-N 371.436 5.868 0 1 FKAF CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1cccs1 103232738 VCGXVFYPEZBJLF-FQEVSTJZSA-N 350.439 5.263 0 1 FKAF CCCCCCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1 149748024 LBDPNAHLORAAKZ-UHFFFAOYSA-N 357.541 6.648 0 1 FKAF COc1ccc([C@H]2CC(=O)[C@@H]3Sc4cc(Cl)ccc4N=C3C2)cc1 169715487 KTGZZKRFWDJBJL-CWTRNNRKSA-N 357.862 5.042 0 1 FKAF C/C1=C/C[C@]2(C)CC[C@@]3(C)CCC(C)(C)[C@@H](O)[C@@H]3[C@H]2CC/C(C)=C/[C@@H](O)C1 238755425 MGTAYOKGQOZSLL-NAMNUYHQSA-N 374.609 6.034 0 1 FKAF CC(=O)O[C@H]1c2oc(cc2C(C)C)[C@@H](C)CCC=C(C)CC[C@@H]2O[C@]21C 299806161 MVULDMBCESYPJZ-FYXRHKGBSA-N 360.494 5.789 0 1 FKAF COC(=O)c1ccc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2c1OC 586879970 VOMHHZDWGHCTTN-UHFFFAOYSA-N 372.424 5.001 0 1 FKAF CC(C)Oc1cc2nc(/C=C\c3ccsc3)[nH]c2cc1Br 587026667 WOKKVLWSFHCWCJ-ARJAWSKDSA-N 363.280 5.345 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1 587059659 SSNNEKACKUZJEL-UHFFFAOYSA-N 360.844 5.233 0 1 FKAF CC(C)Oc1ccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 587068978 HBSUAIFUCPQKOA-ZDUSSCGKSA-N 356.853 5.380 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 587071053 ZZNVXZMQKOYVHX-JTQLQIEISA-N 366.770 5.612 0 1 FKAF Cc1c([C@H](C)c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099531 LRBTUDXYPYAPGQ-MRXNPFEDSA-N 363.460 6.215 0 1 FKAF Cc1ccc2c(c1C)-c1nc3c(C)ccc4c3c(c1C2)-c1ccccc1C4=O 587100028 DKKJKQQBGXKAQC-UHFFFAOYSA-N 361.444 5.943 0 1 FKAF C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587354452 QRRSEIMGOPMLQO-DXHOUVOYSA-N 374.411 5.293 0 1 FKAF Clc1ccc(-c2nc3c(s2)-c2nc4cccc5c4c(c2CC3)CC5)cc1 587358734 FKHBMGPDVCODJY-UHFFFAOYSA-N 374.896 5.876 0 1 FKAF C[C@]1(c2cc(Cl)cnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587500562 QCIJEWNJQDTMKX-LJQANCHMSA-N 362.256 5.148 0 1 FKAF CSc1ccc([C@@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531549 HMSPAYWYEVPUDR-QHCPKHFHSA-N 366.526 5.804 0 1 FKAF CCCC[C@]1([C@@H]2CCOC(C)(C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 587535929 PKWZKDQFSURLCM-HOYKHHGWSA-N 370.533 5.665 0 1 FKAF Cc1cc(Cl)cc2c(Nc3ccc(Cl)cc3)c(-c3ccccc3)[nH]c12 587623935 CDTIWYDXASJPAP-UHFFFAOYSA-N 367.279 7.194 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(-c3ccc(Cl)cc3)c2c1 587641635 NXOOKYXSVWJWSP-KRWDZBQOSA-N 373.927 7.977 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(Cc3ccc(F)c(F)c3)c(C(=O)OC)c2c1 587643897 YKWMZGWUBGFKAW-GFCCVEGCSA-N 357.400 5.337 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1ccc(Cl)cc1 587860891 IKTONGUICUJZOM-UHFFFAOYSA-N 366.770 5.279 0 1 FKAF O=C(CSc1ccc(Br)cc1)c1c[nH]c2cc(F)ccc12 653731307 YSJAGLKSMDIFDW-UHFFFAOYSA-N 364.239 5.045 0 1 FKAF Cc1sc2c(c1C)CCN[C@H]2c1cc(F)ccc1OCc1ccccc1 963016001 XFGQGHAXKXFNNE-NRFANRHFSA-N 367.489 5.318 0 1 FKAF C[C@@H]1Cc2ccccc2N1C(=O)c1cc2sccc2n1Cc1ccccc1 4970862 JQAZPYMKXGCTKE-MRXNPFEDSA-N 372.493 5.343 0 3 FKAF CCCCCc1ccc(-c2cn(CCc3c[nH]c4ccccc34)nn2)cc1 15937297 WWXSVOKEIVKPAF-UHFFFAOYSA-N 358.489 5.402 0 3 FKAF CC(C)=C(c1cc(Cl)ccc1OCc1ccc(C)cc1)n1ccnc1 28767157 XKTAAOWQASKLQI-UHFFFAOYSA-N 352.865 5.723 0 1 FKAF Cc1nn(-c2cccc(Cl)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12 40918210 NTAIRXFACXVUQO-AWEZNQCLSA-N 362.864 5.555 0 1 FKAF Cc1cccc(-c2nc(N[C@@H]3CCCC[C@@H]3C)ncc2-c2ncc(C)o2)c1 82167456 UTEDNAHRRJWYIT-HNAYVOBHSA-N 362.477 5.406 0 1 FKAF CC(C)c1ccc(/C=C/c2cnc(/C=C/c3ccc(C(C)C)cc3)cn2)cc1 95575229 DOPLJULUPFKXRR-KAVGSWPWSA-N 368.524 7.064 0 1 FKAF CCc1cc(OCCCc2c(C(=O)O)[nH]c3ccccc23)ccc1Cl 95598089 MTELVMRZGGGOHL-UHFFFAOYSA-N 357.837 5.094 0 1 FKAF CCOc1ccc2c(c1)C(CC(=O)O)=C(C)/C2=C/c1ccc(C(C)C)cc1 101669736 NRSSQZXATYHVTO-MTJSOVHGSA-N 362.469 6.011 0 1 FKAF C[C@H](CC(C)(C)C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197776 UVXIRTGIDQOKGE-SNVBAGLBSA-N 373.444 5.292 0 1 FKAF C[C@H]1CC[C@H](NCc2ccc3c(c2)Cc2c(-c4ccc(O)cc4)n[nH]c2-3)CC1 253660939 UZYWNMNHDXLFCZ-RHDGDCLCSA-N 373.500 5.022 0 1 FKAF CCCCCC[C@H](O)CCCCCCCCCCc1cc(O)cc(=O)o1 263614290 FXHJVZHVWWRDAY-IBGZPJMESA-N 366.542 5.730 0 1 FKAF in-vitro Oc1c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc2c1CCCC2 586898615 QHXJGNFMYLGHPU-UHFFFAOYSA-N 366.770 5.487 0 1 FKAF Cc1ncc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(C)c1Br 586979849 WXJXTNFRNLLIEW-UHFFFAOYSA-N 358.283 5.302 0 1 FKAF Cc1cc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2cc1Br 587028621 XKIMFWRTFMPIJL-UHFFFAOYSA-N 373.279 5.061 0 1 FKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccccc2[nH]1)c1cccc(Cl)c1 587071394 LZFONVFPWGWNDR-KRWDZBQOSA-N 371.868 5.025 0 1 FKAF FC(F)(F)CCc1ocnc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587093064 SQYVLFVUCDBRLA-UHFFFAOYSA-N 373.334 5.505 0 1 FKAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Cl)c(F)cc2[nH]1)C1CCCC1 587224149 FMWIUNFFJWIVJZ-OAHLLOKOSA-N 367.852 5.111 0 1 FKAF Clc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1Cl 587232379 SBNDPDNICKTAKP-UHFFFAOYSA-N 372.255 5.420 0 1 FKAF O=C1C[C@@H](c2ccccc2CCCCF)Oc2c1ccc1c2CCCC1 587507190 OXHUPQWHGPXFPZ-QFIPXVFZSA-N 352.449 5.564 0 1 FKAF O=C1C[C@@](c2ccccc2)([C@H]2C[C@@H]3C=C[C@H]2C3)Oc2c1ccc1c2CCCC1 587522581 FURCJCRVRVBGBK-ZJIQKZQBSA-N 370.492 5.638 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C1CCCCC1)C1CC1 587604073 ULUFHJBCHPZBKJ-REWPJTCUSA-N 364.441 5.083 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(OCC(F)(F)F)c2c1 587642645 UGWUCYVBVOLQJN-AWEZNQCLSA-N 361.407 6.598 0 1 FKAF Cc1cc(C)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587813374 BWMIHWWRTGBVGI-BFUOFWGJSA-N 362.286 5.003 0 1 FKAF CC/C=C/CC/C=C\[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821646 WRMRLMDCSPNHOR-XTLQLASCSA-N 352.291 5.466 0 1 FKAF O=C(c1ccc(Oc2ccccc2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873607 JGFQFCYWIYZBFG-UHFFFAOYSA-N 372.355 5.276 0 1 FKAF Fc1cc2[nH]c(/C=C/c3cccc4ccccc34)nc2cc1Br 587966788 DNRXMQBWYVPQQW-CMDGGOBGSA-N 367.221 5.788 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1ccc(-c2c(F)cccc2F)o1 963091635 JBXBWAOAHMASCF-NYHFZMIOSA-N 369.386 5.474 0 1 FKAF Fc1cccc2c1[C@H](c1c(Cl)ccc(Cl)c1F)N1CCC[C@H]1C2 963111704 QYYQFWWNZYRIFJ-BBATYDOGSA-N 354.227 5.382 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2Cl)cc(-c2ccccc2O)n1 1772646148 ORTHGEUQEIOSNJ-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF Cc1ccccc1C[n+]1cccc(Cn2c3ccccc3c3ccccc32)c1 1857538449 XSXPEPVQYSKETF-UHFFFAOYSA-N 363.484 5.487 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccc(O)cc2C3)cc1 1857582186 MFDMYCLIRWXOCP-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC(C)=CC(=O)O 2356467785 FCZDHYMKYYBHKU-GUMYABAYSA-N 362.510 5.140 0 1 FKAF CC(=O)O[C@@H]1C[C@]2(C)C(C)=CCC[C@@H]2[C@@](C)(CCC(C)=CC(=O)O)[C@H]1C 2356494443 DJEUHRRTZPCWNH-IHXMQYCKSA-N 362.510 5.138 0 1 FKAF CC(=O)OC[C@H](O)[C@](C)(O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 2356669045 LKUWCXZFCSWEPD-XMGTWHOFSA-N 372.590 5.101 0 1 FKAF C[C@@H](O)CCCCCCCCCCCCCCCc1cc(O)cc(O)c1 2356793767 HNNGSRXNZIYBGG-HXUWFJFHSA-N 364.570 6.483 0 1 FKAF CCCCCC1=CC=C[C@@H](O)CC=C(CC[C@H](C)CCCC(=O)O)O1 2356875652 ZSOGOINBHUIBQK-QZTJIDSGSA-N 350.499 5.343 0 1 FKAF CC(C)(C)c1ccc(-c2cn(Cc3ccc(C(F)(F)F)cc3)nn2)cc1 2382256041 SAOKHDBDHQVGJD-UHFFFAOYSA-N 359.395 5.310 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(=O)O 8860413 KOVJQSKMGZBKPQ-LVHKJPBESA-N 373.537 5.497 0 1 FKAF CC[C@@H](C)C(=O)O[C@@H](CC=C(C)C)c1coc(-c2cc(O)ccc2O)c1 13432852 PEZOMNLHRUVLDV-KUHUBIRLSA-N 358.434 5.345 0 1 FKAF biogenic Fc1ccc(CCCCN2[C@H]3CCC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 13827328 HFDHTQNBCFVPGS-WMZHIEFXSA-N 362.492 5.782 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](Cc1ccccc1)[C@@H]2O 13835230 BLOLGUACGJBTQO-CDXAVQHRSA-N 362.513 5.078 0 1 FKAF CC(=C/C(=O)O)/C=C/[C@@H]1C[C@@]1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C 34008854 HMDVFKHLXNHBGR-QLVVELDESA-N 366.545 6.209 0 1 FKAF CC[C@]1(c2ccccc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 35814552 MVPWGNHSAOBKOI-KRWDZBQOSA-N 368.786 5.403 0 1 FKAF CCCCCn1cc(C(=O)c2cc3ccccc3cc2OC)c2ccccc21 40975568 BVVUJHUFFPAHCS-UHFFFAOYSA-N 371.480 6.224 0 1 FKAF Cc1ccc(Sc2ccccc2)c(Nc2ccnc3nc(C)ccc23)c1 43170293 FFLHJBWMGGGQCY-UHFFFAOYSA-N 357.482 6.141 0 1 FKAF COc1ccc(-c2ccccc2)c2cc(C(=O)Nc3ccncc3)sc12 45364144 VEDOCQBVRILIFC-UHFFFAOYSA-N 360.438 5.224 0 1 FKAF COc1cc(C)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(OC)c1 139449994 CDVBDSFNLFHWSH-LCAIAVFMSA-N 356.550 6.974 0 1 FKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)c1cc[n+]([O-])cc1-2 169347741 AXLWAEOWFSXFSS-HZPDHXFCSA-N 369.505 5.640 0 1 FKAF CN1CCCC[C@H]1CCN1c2ccccc2Sc2ccc(S)cc21 299853015 DCXXSSIALADGCY-HNNXBMFYSA-N 356.560 5.452 0 1 FKAF Oc1ccc(C(c2ccc(O)cc2)[C@H]2CCCC(Cl)(Cl)C2)cc1 473154544 IIGKIVOFRJRBEC-HNNXBMFYSA-N 351.273 5.594 0 1 FKAF OCc1ccccc1-c1cccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 586895360 XUYSUUUOJCAXFT-UHFFFAOYSA-N 370.239 5.091 0 1 FKAF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2ncc[nH]c-2n1 587049622 CJABBWDSZKHURP-UHFFFAOYSA-N 356.816 5.445 0 1 FKAF Cc1c(-c2nc3cc4ccccc4cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075907 OHHSMNCHCREGOY-UHFFFAOYSA-N 358.832 5.531 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](c1cccnc1)CC3 587107883 WKYYKFDQBPGLOM-OAHLLOKOSA-N 362.432 5.114 0 1 FKAF Oc1cccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587111319 DPRMLFRTHRRNAB-UHFFFAOYSA-N 370.330 5.747 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3nc(Br)ccc3[nH]2)cc1 587163862 MEAZURVBGYUSLE-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@H]1c1ccc(Cl)cc1)O2 587380247 ROHUQLVGEHKIEL-PGRDOPGGSA-N 369.892 5.683 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)CCC(C)(C)O3)CC2=O 587485252 USOIDTOJRWOLEN-NRFANRHFSA-N 366.457 5.155 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](c3ncccc3C)C1)CC2=O 587488564 PQPJEAUHJVDKTQ-QMHKHESXSA-N 365.473 5.110 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2c1ccccc1 587602565 IPDJJFQLUQNSDR-UTSGNWPNSA-N 372.420 5.060 0 1 FKAF Clc1cnc(Cl)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc12 587948598 FQPMTEMZASHEMV-UHFFFAOYSA-N 370.239 5.648 0 1 FKAF CC/C(=C\c1nc2cc(C)c(Br)cc2[nH]1)c1ccc(C)cc1 587968923 WOSXDRCJGJPZQO-GXDHUFHOSA-N 355.279 5.893 0 1 FKAF Cc1cc2oc(-c3cn4nc(C(C)(F)F)sc4n3)cc2cc1Cl 653662923 FARAWMLGTMWEOC-UHFFFAOYSA-N 353.781 5.278 0 1 FKAF CN(Cc1ccc([C@@H]2CCCN(C)C2)cc1)Cc1ccc2ccccc2c1 653799290 ANABIVQFGRNDFM-RUZDIDTESA-N 358.529 5.281 0 1 FKAF C[C@]1(c2cccc(N3CCCC3)c2)NCCc2cc(-c3ccccc3)ccc21 962668933 OFRYWZHXMYVCSO-AREMUKBSSA-N 368.524 5.363 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(F)cc2)(C(C)(C)CC)N1 962951644 UKGWGMLNSDWABI-UUOWRZLLSA-N 364.508 5.911 0 1 FKAF Cc1cccc(COc2ccc([C@@H]3NCCc4cc(Cl)ccc43)cc2)c1 963381361 VZAXLOPVMHJOHF-QHCPKHFHSA-N 363.888 5.463 0 1 FKAF Cc1cccc(C[n+]2ccc(Cn3c4ccccc4c4ccccc43)cc2)c1 1857537387 VNAIWEVOYRWURX-UHFFFAOYSA-N 363.484 5.487 0 1 FKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CN)C1 1857632910 DDOOWAPBKQDJGR-SZCYIGQKSA-N 373.581 5.092 0 1 FKAF CC(C)(C)c1ccc(C(=O)Nc2cc(O)cc(Cc3ccccc3)c2)cc1 1857774493 YJDCJZFBZYPKGR-UHFFFAOYSA-N 359.469 5.533 0 1 FKAF CCCC(=O)c1c(OCC=C(C)CCC=C(C)C)cc(O)c(Cl)c1O 2356760465 LWKCUPJDLQXLRJ-UHFFFAOYSA-N 366.885 5.806 0 1 FKAF O=C(c1cc(Cl)cc(Cl)c1O)c1[nH]c(Cl)c(Cl)c1Cl 6091195 IJODRMYZNYTFTC-UHFFFAOYSA-N 359.423 5.218 0 1 FKAF biogenic,in-vitro CO[C@@H]1c2cc(O)c(O)cc2O[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]12 14948490 YKDSZDGDSDTQSB-PIBZIWMISA-N 360.494 5.179 0 1 FKAF biogenic O=C(NCCc1ccccc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 28972767 QESGWRHFHOIOFV-UHFFFAOYSA-N 360.240 5.226 0 1 FKAF CN(CC1CCCCC1)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 29051391 HJSSFRYDNBPQOI-UHFFFAOYSA-N 373.500 5.504 0 1 FKAF FC(F)(F)c1cccc([C@@H]2CN3CCC[C@@H]3c3cc(Cl)ccc32)c1 29234358 HZLIZTZPUBOXCK-ZWKOTPCHSA-N 351.799 5.641 0 1 FKAF CCCCC[C@H](O)/C=C/[C@H]1C[C@H]2C[C@H](S2)[C@@H]1C/C=C\CCCC(=O)O 33954698 OVGWMUWIRHGGJP-IGUVKOCZSA-N 366.567 5.195 0 1 FKAF COc1ccc(Nc2c3cc(F)ccc3nc3sc(SC)nc23)cc1 40394985 HFMOMZVAOHEVLZ-UHFFFAOYSA-N 371.462 5.458 0 1 FKAF COc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2C2CCCC2)cc1 40829383 NVXJEPIBHUTNCJ-UHFFFAOYSA-N 361.272 6.134 0 1 FKAF CC1=Nc2ccc(Cl)cc2[C@H](C2CCCCC2)N1CCN1CCCCC1 72123018 RMIFMNMVSKAOOA-QFIPXVFZSA-N 373.972 5.813 0 1 FKAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1Cc1ccc(C)cc1 72124273 CDEORBLGVMIYOR-QHCPKHFHSA-N 360.888 6.304 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OCCCC)c(C)c2)n1 72183442 NTVJJPUUSCXHLC-GOSISDBHSA-N 358.526 5.887 0 1 FKAF NC1(c2ccc(-c3ncc4cnccc4c3-c3ccccc3)cc2)CCC1 84707828 RGRNCTMXYHOPHP-UHFFFAOYSA-N 351.453 5.302 0 1 FKAF CCOc1cc(-c2c(C)noc2C)cc([C@H](O)c2cccc(Cl)c2)c1 95588567 MQGBOKFUDGFFAB-HXUWFJFHSA-N 357.837 5.092 0 1 FKAF c1cc[n+](CCCCCCCCCCC[n+]2ccc3ccccc3c2)cc1 103240452 XMIICGLXEFLORP-UHFFFAOYSA-N 362.561 5.626 0 1 FKAF CC(C)[C@@H]1CC[C@@]2(C)CCC[C@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C/c1ccccc1 238777640 YPCMOCVARABHRT-ATLDDTLPSA-N 370.533 5.235 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3O)nc3c2COc2ccccc2-3)c1 473121666 QMTWGTOXSCBOKT-UHFFFAOYSA-N 367.404 5.386 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 586898765 NVNMGESAYCSMGC-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF Cc1cc(Br)cc2nc(CCc3cc4ccccc4o3)[nH]c12 586903767 MVOMFOPJLRZZIV-UHFFFAOYSA-N 355.235 5.165 0 1 FKAF Cc1ccc2c3c(cc(-c4ccnc(Cl)c4)nc13)-c1ccccc1C2=O 586992034 CHTNUAYQRWFNRI-UHFFFAOYSA-N 356.812 5.470 0 1 FKAF CNc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 586996431 NPMOTCXORXTDDI-UHFFFAOYSA-N 350.421 5.463 0 1 FKAF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2cnncc2[nH]1 587049699 KSPVMFLGFNADSN-UHFFFAOYSA-N 356.816 5.494 0 1 FKAF Clc1cccc(/C=C\c2nc3cc(Br)ncc3[nH]2)c1Cl 587055573 VDUZRHZSURJYTL-PLNGDYQASA-N 369.049 5.198 0 1 FKAF C[C@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccccc1C(F)(F)F 587096833 BYAIFDVDALGOOU-ZETCQYMHSA-N 360.166 5.435 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1cc(Cl)sc1C4)-c1ccccc1C2=O 587100850 AYBKGRVCFLEYKP-UHFFFAOYSA-N 373.864 6.041 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(F)cnc(Cl)c2[nH]1 587113537 MUFJQSGYTRPULR-MRVPVSSYSA-N 357.738 5.115 0 1 FKAF Nc1ccc2oc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cc2c1 587251705 LXEVCHYGMZYHFS-UHFFFAOYSA-N 351.715 5.231 0 1 FKAF O=C(c1cc(Br)ccc1F)c1coc2ccc(Cl)cc12 587278658 QJJWQGOCZARSTE-UHFFFAOYSA-N 353.574 5.219 0 1 FKAF COc1cccc(-c2c(Cc3ccncc3)cnc3c2oc2ccccc23)c1 587362792 KHNAAYFTBIDQNI-UHFFFAOYSA-N 366.420 5.642 0 1 FKAF CCC[C@@H](C)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587364960 HEDQEJUYOGGXBJ-OAHLLOKOSA-N 359.469 6.869 0 1 FKAF O=C1C[C@@H](c2ccc(SC(F)F)cc2)Oc2c1ccc1c2CCCC1 587510270 ZTWYCDBJRXGXDE-SFHVURJKSA-N 360.425 5.587 0 1 FKAF CC(C)(C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598513 BHPDWBNWYMHGCL-YKSBVNFPSA-N 374.436 5.295 0 1 FKAF CC[C@H](C)[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603880 PZUCOEWLDBGORL-MJISLDTMSA-N 366.457 5.329 0 1 FKAF Cc1cccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)c1 587629179 XVXWNYPYJXTJRA-UHFFFAOYSA-N 355.718 5.681 0 1 FKAF CCOC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc([C@H](C)CC)cc12 587640558 FOQNKYBEKYAXQV-OAHLLOKOSA-N 367.464 5.983 0 1 FKAF CC(C)CC[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815707 OZAXONWTFLEPAC-KPZWWZAWSA-N 354.307 5.164 0 1 FKAF CC(C)=CCC[C@H](C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817245 AUECGTZFPJLMHM-JCGVRSQUSA-N 354.307 5.546 0 1 FKAF CCCCC/C=C/C=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820025 NVPSKDZIQNMHHX-ONSBJJODSA-N 366.318 5.856 0 1 FKAF CC(C)c1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820103 OVTQRTAYUMQICB-CWTRNNRKSA-N 362.286 5.335 0 1 FKAF c1ccc(Oc2ccccc2Cc2nc3cnc4ccccc4c3[nH]2)cc1 587949198 AUAYDWSBWZHNLS-UHFFFAOYSA-N 351.409 5.494 0 1 FKAF Fc1cc2nc(-c3ccc(OC4CCC4)cc3)[nH]c2cc1Br 587951514 NEIWTTCYZACEFB-UHFFFAOYSA-N 361.214 5.063 0 1 FKAF Cc1cc2c(cc1F)[C@@H](c1ccc(OCc3ccccc3)c(C)c1)NCC2 962374574 LFUREBBQTFTCDC-XMMPIXPASA-N 361.460 5.257 0 1 FKAF COc1ccc2ncc([C@H]3NCCc4cc(-c5ccccc5)ccc43)cc2c1 962665782 QAKXUUGEXHFPOP-RUZDIDTESA-N 366.464 5.146 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccc1)[C@H]1C[C@@H]2C=C[C@H]1C2 963230443 PKWIVAZHLOJUCT-TZOSFIHFSA-N 357.541 5.799 0 1 FKAF Fc1ccccc1-c1c(F)cc(-n2cc(-c3ccccc3)nn2)cc1F 1911586127 UTXSAXSKMURPPN-UHFFFAOYSA-N 351.331 5.019 0 1 FKAF CC1=C[C@H](O)[C@]2(C)[C@H](O)C[C@@H]3[C@]4(C)CC[C@H](C(C)C)C4=CC[C@]3(C)[C@H]2CC1 2356323284 ARODMLJYCSKEHM-ZHMIWYNQSA-N 372.593 5.499 0 1 FKAF Cn1cc(SCC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc21 2382250939 CXHZIXCDDUUIDK-UHFFFAOYSA-N 365.285 5.216 0 1 FKAF Cn1c(-c2ccccc2)nc2ccc(Oc3ccc(O)c(C(C)(C)C)c3)cc21 2382254412 BJNXJEAIZGYIIW-UHFFFAOYSA-N 372.468 6.036 0 1 FKAF Clc1ccccc1CN(Cc1ccc(-c2ccccc2)cc1)n1ccnc1 3639507 AFNOTNUJWWGNFE-UHFFFAOYSA-N 373.887 5.542 0 1 FKAF CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[P@@](=O)(Nc1ccccn1)c1ccccc1 12559621 ZOUQTPPIGLPWOG-USVZDYLCSA-N 372.449 5.490 0 1 FKAF Clc1ccc(Sc2ccccc2)c(NCCCN2CCCCC2)c1 13763921 NCSBEVHSIRAHCT-UHFFFAOYSA-N 360.954 5.779 0 1 FKAF CCCCc1nc(NCc2ccc(-c3ccccc3)cc2)c2sccc2n1 13781394 ZKAYMUOGYAYTDV-UHFFFAOYSA-N 373.525 6.313 0 1 FKAF CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCc2ccccc2C1 13863352 FGLBWUVSKJHATO-NRFANRHFSA-N 372.468 5.500 0 1 FKAF CCCCCc1cc2c(c(O)c1C(=O)OC)[C@H]1CC(C)=CC[C@@H]1C(C)(C)O2 14722864 GHQWHEOOZNZPEX-IRXDYDNUSA-N 372.505 5.522 0 1 FKAF biogenic CC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)c(CC=C(C)C)c1O 15251822 GTNNUVWDKFRIPY-UHFFFAOYSA-N 366.501 5.606 0 1 FKAF biogenic CN1CCN([C@@H]2C[C@@H](c3ccsc3)c3ccc(Cl)cc32)CC1(C)C 22938093 JUUYXOLEDYTRCB-PKOBYXMFSA-N 360.954 5.004 0 1 FKAF CC1=CC[C@H]2[C@H](C1)c1c(O)cc([C@@H](C)[C@@H](C)C3CCCC3)cc1OC2(C)C 26671967 USDMFBBEDJJVQK-SEONNTABSA-N 368.561 6.933 0 1 FKAF CCCCC[C@H](O)CCC[C@H](CCCc1ccc(C(=O)O)cc1)C(C)=O 27076184 NWAXWKDLBCWWIE-FPOVZHCZSA-N 362.510 5.024 0 1 FKAF CC[C@H]1C=C1C/C=C\C[C@H](O)/C=C/C=C/C/C=C\C/C=C\CCC(=O)O 27643264 CWSPVLXISZCJGY-BBLGZYANSA-N 356.506 5.520 0 1 FKAF in-man C=C(c1cccc(O)c1C(=O)O)c1c(O)cccc1[C@@H](CCCCC)OC 28825668 UVSNEQITOWUQSW-LJQANCHMSA-N 370.445 5.125 0 1 FKAF 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)C3=CC[C@@]21C 33820808 NAQKYJIFPBOOOQ-FZOOINJBSA-N 374.565 5.427 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2[C@H](C)CS1 33825913 YHLYCRRAQSELEI-XHSDSOJGSA-N 374.590 6.977 0 1 FKAF c1ccc2c(C3CCN(CCCCCN4CCCCC4)CC3)c[nH]c2c1 34801035 FRIXRRJXNBEHHG-UHFFFAOYSA-N 353.554 5.004 0 1 FKAF O=C(CCNc1ccc(O)cc1)N1c2ccccc2C=Cc2ccccc21 45254036 HHMSPGNORRMGSU-UHFFFAOYSA-N 356.425 5.043 0 1 FKAF Clc1ccccc1CNc1cc(Oc2ccc3ccccc3c2)ncn1 82068262 SYGGEJQJOWTUAQ-UHFFFAOYSA-N 361.832 5.688 0 1 FKAF CSc1ccc([C@H](O)c2nnc(Nc3cccc(C(C)C)c3)s2)cc1 82082946 REXRWFAFZAXTFF-KRWDZBQOSA-N 371.531 5.209 0 1 FKAF COc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1OC 95573803 LUUUIUBMYQYODQ-UHFFFAOYSA-N 357.413 5.058 0 1 FKAF CCCCCc1cc(O)c2cc(Cc3cccc(Cl)c3)c(=O)oc2c1 95579918 LIKARPKWINWYAG-UHFFFAOYSA-N 356.849 5.476 0 1 FKAF COc1ccc(/C(=C(/C)O)c2ccc3ccccc3c2)c(OC)c1OC 101662064 JTYMXQSQVUJQDK-ZHZULCJRSA-N 350.414 5.203 0 1 FKAF COc1cc2c3c(c1)c(C(F)(F)F)c(CCc1ccccc1)n3CCC2 103256061 MXODNNNPSJJTNP-UHFFFAOYSA-N 359.391 5.400 0 1 FKAF CC[C@H](C)Sc1nc([C@H](CC)c2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352231 MSFPDVKGKWUQCA-CMPLNLGQSA-N 368.905 5.303 0 1 FKAF CC(C)=CCC/C(C)=C/COc1cc(O)cc(O)c1C(=O)c1ccccc1 238759860 HAYWIKBDKJMSGN-SFQUDFHCSA-N 366.457 5.400 0 1 FKAF CC(=O)O/C=C1/CCC=C(C)C[C@@H]2OC(=O)[C@H]1[C@H]2[C@@H](C)CCC=C(C)C 299806616 DFKHRBLZEJCJLU-YONDGGTRSA-N 360.494 5.104 0 1 FKAF c1ccc(Oc2ccc(-c3nc4cccnc4n3C3CCCC3)cc2)cc1 299820762 GXUABMPVZZVUAG-UHFFFAOYSA-N 355.441 6.006 0 1 FKAF Clc1ccccc1-c1nc2ccc(Nc3ccnc4ccccc34)cc2[nH]1 299829049 KMGUVDJVZJCWBX-UHFFFAOYSA-N 370.843 6.175 0 1 FKAF CCc1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1CC 586878314 CMGWSHNWOXGXHD-UHFFFAOYSA-N 368.786 5.907 0 1 FKAF O=Cc1ccc(OCc2occc2-c2nc3cc(Cl)c(F)cc3[nH]2)cc1 586900162 FALAAZOHLYLXKH-UHFFFAOYSA-N 370.767 5.007 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c(C)s2)cc1 587013358 MCOKVZUWDFYFKA-UHFFFAOYSA-N 374.391 5.384 0 1 FKAF Cc1cnc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 587073225 HIDSZEBBXOUTMT-RGEXLXHISA-N 373.887 6.093 0 1 FKAF Cc1cc2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c(C)n1 587151893 VGXLYRSCXODUEJ-FQEVSTJZSA-N 365.383 5.021 0 1 FKAF Fc1ccc2c(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)coc2c1 587175530 UCGYFNAQUNQSOT-UHFFFAOYSA-N 354.690 5.787 0 1 FKAF Cc1cc2nc(-c3ccc4ccccc4c3N)[nH]c2cc1Br 587253980 JGYFMGAEUYGYPG-UHFFFAOYSA-N 352.235 5.036 0 1 FKAF CC(C)CC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359035 ZJJSJFQRCBEQKJ-JTHBVZDNSA-N 368.448 5.475 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc([C@H]3CCCCO3)s1)CC2=O 587493812 HYVPCVLESWNIMZ-MSOLQXFVSA-N 372.486 5.354 0 1 FKAF O=C1C[C@@](c2ccccc2)(C2CCCCC2)Oc2c1ccc1c2CCCC1 587524053 JVFJGZBPQAZTBY-RUZDIDTESA-N 360.497 6.006 0 1 FKAF CCCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525917 WMJLEGVUIWSMEB-JOCHJYFZSA-N 350.458 5.451 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Cl)c2F)N1 587725011 BADKURZXGBNUEO-ZKANADHPSA-N 372.640 5.004 0 1 FKAF COc1cccc(OCc2ccc(-c3nc4c(C)c(C)ccc4[nH]3)cc2)c1 587781039 OVMUPUWFFHBDKL-UHFFFAOYSA-N 358.441 5.434 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C2CC2)N1 587817249 AUHISZTXKLVBHC-JEOXALJRSA-N 360.270 5.089 0 1 FKAF C/C=C(\c1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817968 FTYQJUYEGUQBHN-XABSXQJUSA-N 360.270 5.267 0 1 FKAF CCC(=O)Nc1ccc(-c2nc(-c3ccc(SC)cc3)cs2)cc1 587924505 AWRXRTYIZOQWOK-UHFFFAOYSA-N 354.500 5.548 0 1 FKAF CC(C)Oc1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956336 XIDVWANLGTWRJL-OAQYLSRUSA-N 356.469 5.725 0 1 FKAF CC(=O)c1cc(/C=C/c2ccc(F)cc2)cc2cc(-c3ccccc3)[nH]c12 1857613215 FKWJZGOYDMREJY-BQYQJAHWSA-N 355.412 6.347 0 1 FKAF CCCCCn1c(=O)sc2cc(CC34CC5CC(CC(C5)C3)C4)ccc21 1857620990 MZUKNRGLMUFRBR-UHFFFAOYSA-N 369.574 6.012 0 1 FKAF CCc1c2cc(Cl)ccc2n2cc(Cc3ccc(Cl)cc3)[nH]c(=O)c12 1857755701 RICCDGIHZVGILK-UHFFFAOYSA-N 371.267 5.241 0 1 FKAF COc1cc(C(=O)O[C@@H]2C=C(C)CCC=C(C)CC[C@H]2C(C)C)ccc1O 2356664304 PQAYAZRCPJMQRB-PZJWPPBQSA-N 372.505 5.665 0 1 FKAF CC(C)N(Cc1ccoc1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12 594578 SKDKGGFADLBAGY-UHFFFAOYSA-N 372.468 5.408 0 1 FKAF CN1Cc2ccccc2[C@H](c2ccccc2)N=C1CCCc1ccccc1 13600219 NJDHGGUHDXWUQS-VWLOTQADSA-N 354.497 5.643 0 1 FKAF CCCSC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@H]34)[C@@]2(C)CCC1=O 27656198 KECSLKZJFNOOFU-LSAWPXHUSA-N 360.563 5.558 0 1 FKAF CC(C)Oc1ccc(-c2nc(CN[C@H]3C[C@H](C)CC(C)(C)C3)co2)cc1 72101495 NMFBSIKHNGDFKG-WMZOPIPTSA-N 356.510 5.433 0 1 FKAF NCCSC(c1ccccc1)(c1ccccc1)c1cccc(Cl)c1 84615226 PQVCIZQDFPORHR-UHFFFAOYSA-N 353.918 5.324 0 1 FKAF Cc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 84690507 MHXDVYYNSCBZQL-UHFFFAOYSA-N 353.469 5.768 0 1 FKAF Fc1ccc(C2=NN(c3ccccc3)[C@@H](c3cccc4ccccc34)C2)cc1 95585056 YOWWEQRTMDLMLL-RUZDIDTESA-N 366.439 6.335 0 1 FKAF CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1ccc(F)cc1 100632717 LOCAWWIMTNSDTF-NRFANRHFSA-N 350.393 5.002 0 1 FKAF CCCCSCSC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253693401 WQIBDBVSAJGYND-MHJCUILSSA-N 372.596 5.205 0 1 FKAF OCCCCCCCCCCCc1nc2cc(Cl)c(Cl)nc2[nH]1 586894746 SUFPDLOWDQDRIB-UHFFFAOYSA-N 358.313 5.310 0 1 FKAF Cc1c(-c2ccccc2F)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586994689 CCPLRRDXPGHKEN-UHFFFAOYSA-N 353.396 5.869 0 1 FKAF Cc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1Cl 587005325 SUXSBSRXKNKPPU-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF CCc1ccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 587014914 UESUCFIPUJCXID-UHFFFAOYSA-N 353.878 5.878 0 1 FKAF Cc1ccc2c3c(cc(-c4csc(Cl)c4)nc13)-c1ccccc1C2=O 587103051 VIUXSBMZQKQMHQ-UHFFFAOYSA-N 361.853 6.137 0 1 FKAF Cc1c(Cl)ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587136122 CNMHRPRUDLRQOZ-UHFFFAOYSA-N 374.040 5.747 0 1 FKAF Cc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(F)c1 587146725 UEFWHPAEKKDIQC-UHFFFAOYSA-N 373.147 5.459 0 1 FKAF Cc1cc(Cl)cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587148390 CLZXEUJLTWNIEH-HXUWFJFHSA-N 365.839 5.865 0 1 FKAF Cc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1F 587150159 KXKUNEZEQGTOKW-HXUWFJFHSA-N 368.358 5.457 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C(Cl)CC3)c1 587361312 YGLKIVHLCNJPQN-UHFFFAOYSA-N 361.828 6.183 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(O[C@@H](C)CC)c1)CC2=O 587478365 ARUACPIZWFFMIS-LHSJRXKWSA-N 354.446 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([C@@H](CC)OC)cc1)CC2=O 587482926 KUKQWLYYAKEFEG-FYYLOGMGSA-N 368.473 5.323 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccnc3)cc1)CC2=O 587491946 VDXUMBZYQPBOBS-QFIPXVFZSA-N 359.425 5.113 0 1 FKAF O=C1C[C@]2(CCC[C@H]2c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587498256 DLXFSYQRBHZCTA-REWPJTCUSA-N 366.888 5.891 0 1 FKAF CCCOc1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587520508 DIEOCFLXFZAOEC-QFIPXVFZSA-N 364.485 5.678 0 1 FKAF Cc1ccnc(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 587628726 YKQXJQYHSPCKHU-UHFFFAOYSA-N 358.285 5.884 0 1 FKAF COC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)c(Cl)c12 587631274 ZQSINXWKXVHYQK-UHFFFAOYSA-N 363.791 5.262 0 1 FKAF COC(=O)c1cc(-c2[nH]c3cccc(F)c3c2-c2ccc(Cl)cc2)c[nH]1 587633641 IPAQOEQEAVITTK-UHFFFAOYSA-N 368.795 5.409 0 1 FKAF Cc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Cl 587784917 WAXOEEPYVLZYBX-XFXZXTDPSA-N 374.871 6.274 0 1 FKAF COc1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(OC)c1C 587786834 HCSSRWKURIJEMJ-UHFFFAOYSA-N 374.440 5.135 0 1 FKAF Cc1cccc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 587801737 HXCUISBLZAIOMI-WYRIXSBYSA-N 373.269 5.002 0 1 FKAF CC[C@H](C)[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587823953 SPQYTEPIEFGNMY-QPWUGHHJSA-N 368.334 5.554 0 1 FKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587927804 UTUHWWFEQNFITQ-CYBMUJFWSA-N 364.367 5.141 0 1 FKAF CC(C)=CCC/C(C)=C\c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587967908 NPGHRPLLULWTGR-XFFZJAGNSA-N 359.342 5.762 0 1 FKAF O=C(c1ccc(-c2cccc(Cl)c2)s1)c1c(F)ccc(O)c1F 1772640903 GZSYUTDYBGNVIQ-UHFFFAOYSA-N 350.773 5.283 0 1 FKAF Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(CC2CC2)CC1 1857548685 DIYZVIOXKMKOLR-UHFFFAOYSA-N 364.920 5.141 0 1 FKAF CCCCCCOc1cc(Cl)c(C(=O)CC[N@@]2C[C@H]2C)c(Cl)c1 1857605553 JAAIRJBWUHNPLG-ASSNKEHSSA-N 358.309 5.229 0 1 FKAF CCCCCC[C@H](C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1 1911578217 BOBDBPUBEIEQBB-QHCPKHFHSA-N 367.533 5.564 0 1 FKAF CCCC=CCC=CC=CCCCCCCCc1cccc(O)c1C(=O)O 2356383131 BOKXWUZMFSLGOR-UHFFFAOYSA-N 370.533 6.832 0 1 FKAF Cc1[nH]c2ccccc2c1[C@H](c1ccccc1)c1cc2cc(Cl)ccc2o1 2382229737 CSDLYVYNQUSVRC-XMMPIXPASA-N 371.867 7.056 0 1 FKAF CC1CCC(CN2C(Nc3ccccc3)=NC[C@@H]2Cc2ccccc2)CC1 61959466 HAHMEPQTVAKNKP-IRSIHTCSSA-N 361.533 5.208 0 3 FKAF O=C1Cc2c(-c3cccs3)cc(-c3ccccc3)nc2-c2ccccc2N1 1648850 MDGMACJYKCJWGC-UHFFFAOYSA-N 368.461 5.639 0 1 FKAF CC/C(=C(/c1ccc(O)cc1)c1ccc(OCN(C)C)cc1)c1ccccc1 28224295 NLEKIDVRUXTBDG-OCOZRVBESA-N 373.496 5.659 0 1 FKAF Clc1ccc(C2=CCc3cc(Br)cnc3O2)cc1Cl 29331313 OMYVDEJYAGHYAZ-UHFFFAOYSA-N 357.034 5.127 0 1 FKAF Cc1ccc2c(c1)c(-c1ccnc3cc(Cl)ccc13)c(C)n2CC(=O)O 36126913 HDRZLWOQFMULDF-UHFFFAOYSA-N 364.832 5.211 0 1 FKAF CN1/C(=C/C=C\C=C/c2sc3ccccc3[n+]2C)Sc2ccccc21 42682000 BREIFVQIRDIHRZ-UHFFFAOYSA-N 363.531 5.379 0 1 FKAF COc1ccccc1CNc1cc(Oc2cccc3ccccc23)ncn1 82068333 AMNRFVFZUIOXHB-UHFFFAOYSA-N 357.413 5.043 0 1 FKAF CC(C)/C=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936790 BKWBRNDZAJHCMT-AANNOKFNSA-N 370.621 6.775 0 1 FKAF endogenous,in-man Fc1ccc(/C=C2\CCC[C@@H]3C2=NC(=S)N[C@@H]3c2ccc(F)cc2)cc1 138728514 BANJUPPHKPNCDQ-MVVBNGQASA-N 368.452 5.219 0 1 FKAF C[C@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)C1=O 169717843 CKHNVMICQILYMB-CMJOXMDJSA-N 366.526 5.431 0 1 FKAF CCc1c(-c2ccc(F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586997595 ZTGHTAWPVRMKSV-UHFFFAOYSA-N 367.423 6.123 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(F)c(C)c2[nH]1 587014840 RNYLBHBAPGFRSS-UHFFFAOYSA-N 357.841 5.763 0 1 FKAF CSc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587102041 LUBKJPKRQJXLFR-UHFFFAOYSA-N 367.473 6.144 0 1 FKAF CC(C)(C)c1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587114580 UWCWRSMUHRTSMO-HNNXBMFYSA-N 361.411 5.122 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1ccc(-c3ccccc3)cc1)O2 587402205 VTBMWUISUUWQJS-XMMPIXPASA-N 373.452 5.047 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccccc4)s1)[C@@H](C2)C3=O 587450308 JAVPFSMYLKMTFJ-AOMKIAJQSA-N 362.450 5.087 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](Cc3ccccc3)C1)CC2=O 587479824 JEEUISSJOUTQBU-UUOWRZLLSA-N 364.485 5.482 0 1 FKAF CCCc1c(O)ccc2c1OC(c1ccsc1)(c1ccsc1)CC2=O 587494155 ISMSFZAEMCWAEH-UHFFFAOYSA-N 370.495 5.377 0 1 FKAF O=C1C[C@@H](c2ccc(F)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587510673 XEWXAYHRTXRVNK-SFHVURJKSA-N 364.338 5.430 0 1 FKAF CC(C)[C@@H]1CCc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527965 XYUAETPXYLZZRJ-SQJMNOBHSA-N 360.497 5.645 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)c2c1 587642963 XUFGSRYORXAFIR-LBPRGKRZSA-N 354.881 6.204 0 1 FKAF CC(C)C[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813319 UQWRAXKJBRHRHU-XIKOKIGWSA-N 356.323 5.410 0 1 FKAF COc1ccc(C2(c3nc4ccc(C(C)=O)cc4[nH]3)CC3(CCC3)C2)cc1 587936697 YMJSEBAZGCWNDU-UHFFFAOYSA-N 360.457 5.024 0 1 FKAF FC(F)(F)Oc1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587959787 VWGRYMLFNODUHU-UHFFFAOYSA-N 368.358 5.719 0 1 FKAF OCc1cnc2c(c1)c1ccccc1n2Cc1cccc(Cl)c1Cl 653704584 DZCPYOPBWIWCGO-UHFFFAOYSA-N 357.240 5.037 0 1 FKAF Fc1cc([C@@H]2NCCc3cccc(-c4ccccc4)c32)c2ncccc2c1 962674660 YKWISVRTPNHYBH-DEOSSOPVSA-N 354.428 5.276 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(Cc1ccccc1)C(F)(F)Cl 963108693 XXKOHLHDIIZRQD-PKOBYXMFSA-N 365.826 5.116 0 1 FKAF CC(C)(C)c1ncc(C[S@@](=O)C(c2ccccc2)c2ccccc2)s1 1857559108 LCDGXCYUIKLVQT-RUZDIDTESA-N 369.555 5.479 0 1 FKAF CC(C)=C[C@H](C)CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12 2356350743 JBZAHTJTVMZHDQ-INIZCTEOSA-N 352.430 5.857 0 1 FKAF O=C(NC1CCCCC1)c1cc(OCc2ccccc2)c2ccccc2c1 2382257266 JAESJYKEILNFGD-UHFFFAOYSA-N 359.469 5.481 0 1 FKAF CCCc1c(-c2cccc(Cl)c2)ncn1CCc1ccccc1OC 95565760 ADGOMGGVSBBFSW-UHFFFAOYSA-N 354.881 5.407 0 3 FKAF CC1(C)C=Cc2c(ccc3c2[C@H](c2ccc(Cl)cc2)Oc2ccccc2-3)N1 13796847 DITXHXHXUDEFMA-QHCPKHFHSA-N 373.883 6.706 0 1 FKAF O=C1C[C@H](c2ccccc2)c2c(ccc3cc(Br)ccc23)O1 29136234 MJBSTCRRPXSAHA-MRXNPFEDSA-N 353.215 5.043 0 1 FKAF Cc1ccc(-c2nn(-c3c(Cl)cc(Cl)cc3Cl)c(=N)s2)cc1 29463243 FOMBFKPWKXYGQV-UHFFFAOYSA-N 370.692 5.349 0 1 FKAF O=C(Cc1ccccc1)Nc1ccc2[nH]nc([C@H]3C[C@H]3c3ccccc3)c2c1 34997350 CIWJUMXZAYFUEI-PMACEKPBSA-N 367.452 5.015 0 1 FKAF Fc1cccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 42919883 HYGDPKOAFULGIG-UHFFFAOYSA-N 356.615 5.339 0 1 FKAF CCCCCCOc1ccc(C(=O)CCN2C[C@@H]2C)c(Cl)c1Cl 42921841 QPYPZIGCECYCFX-JRTLGTJJSA-N 358.309 5.229 0 1 FKAF Cc1nc(-c2cnc(NC3CCCCC3)nc2-c2ccco2)sc1C 82165382 GWEFVFCECZHYPS-UHFFFAOYSA-N 354.479 5.222 0 1 FKAF CCCCC[C@@H](O)/C=C\CCCCC[C@H](CCc1ccccc1)CC(=O)O 85505966 HVWLGPCYLSPKLN-ZDMWOBFKSA-N 374.565 6.158 0 1 FKAF biogenic,in-vitro Oc1c(Cl)cc(Nc2ncc(C(F)(F)F)cc2Cl)cc1Cl 103280163 XGZNQAPPGXZJCV-UHFFFAOYSA-N 357.546 5.510 0 1 FKAF CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)[nH]c12 142662524 BMUPTJJHMZFZQA-UHFFFAOYSA-N 350.510 5.858 0 1 FKAF COc1cccc(-c2ccnc3n[nH]c(-c4cccc(C(F)(F)F)c4)c23)c1 218290404 LGGZNOCVWLLFSI-UHFFFAOYSA-N 369.346 5.319 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)cc1 586897962 BODDXPWRVCSHNK-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)n1 587020263 KRNIZQOJMZISTC-UHFFFAOYSA-N 355.463 5.426 0 1 FKAF Clc1ccc(-c2cc(-c3nc4cc(Cl)cnc4[nH]3)ccc2Cl)cc1 587048851 ZDWFVWYIIKZHGI-UHFFFAOYSA-N 374.658 6.252 0 1 FKAF CSc1ccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2c1 587050271 XKXSYCYSZLXWCN-UHFFFAOYSA-N 359.882 5.200 0 1 FKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2cc3ccccc3cc2[nH]1 587051887 UYMJAZBOKVQLIL-ZIAGYGMSSA-N 353.252 6.294 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(Cl)nc2[nH]1 587073654 IXIAIROGYTYESG-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF Cc1ccc(/C=C/c2nc3cc(Cl)cc(Br)c3[nH]2)cc1F 587146310 IAALTLIUFNTOQU-SNAWJCMRSA-N 365.633 5.597 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(OC)c(F)cc4[nH]3)c2)c1 587160118 HYYMESYQGOKXIY-UHFFFAOYSA-N 366.367 5.192 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)c1 587235892 RSDLIXVGZMMMNE-UHFFFAOYSA-N 371.337 5.495 0 1 FKAF COc1cccc(-c2cc(-c3ccc(C)nc3)nc3c2oc2ccccc23)c1 587362077 BLKZYNSZFDWLLR-UHFFFAOYSA-N 366.420 6.027 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc(C)c(C)c3)cc1)O2 587402976 JPOSWBDIQGUAKU-HSZRJFAPSA-N 373.452 5.693 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(OC(C)C)cc1)CC2=O 587485395 WFWOBPQQOMMDBP-SFHVURJKSA-N 368.473 5.099 0 1 FKAF O=C1C[C@@H](c2cc(-c3cccc(F)c3)no2)Oc2c1ccc1c2CCCC1 587501913 GSAALHCYJDABIN-FQEVSTJZSA-N 363.388 5.066 0 1 FKAF Cc1ccc([C@@]2(c3ccco3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532658 MRYNKNBKFGNVNR-XMMPIXPASA-N 358.437 5.376 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c([C@@H]3CCCN3C(=O)OC(C)(C)C)c2c1 587640972 CXTRPTYSZVKZEJ-KUHUBIRLSA-N 356.510 6.062 0 1 FKAF Cc1cccc(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587815190 KOMXQVLZDKZTOR-BFUOFWGJSA-N 362.286 5.003 0 1 FKAF CC(C)[C@]1(C2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587817584 CTSDMFILKJHPLZ-ORAYPTAESA-N 368.334 5.554 0 1 FKAF Cc1ccc([C@@]2(C(C)C)c3ccsc3CCN2Cc2cccn2C)s1 962399610 RLVZLRHWICKAHD-OAQYLSRUSA-N 370.587 5.414 0 1 FKAF O=c1c(O)c(-c2csc3ccccc23)oc2ccc(Br)cc12 1857548137 PDFBPHPBAWSSKU-UHFFFAOYSA-N 373.227 5.143 0 1 FKAF CCC[C@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1 2382244748 GWXQYLLBILOVKW-SDHOMARFSA-N 363.545 5.547 0 1 FKAF COc1cc([C@H](O)c2nc(-c3ccc4ccccc4c3)cs2)ccc1F 61902659 UFRIKYPJKXJLKY-FQEVSTJZSA-N 365.429 5.193 0 3 FKAF O=C(O)CCCc1ocnc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1 13834177 VBSJENJSUVMKSL-UHFFFAOYSA-N 374.396 5.071 0 1 FKAF CCOC(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1 27103300 FNHBFUMUAFRJNQ-UHFFFAOYSA-N 364.488 6.682 0 1 FKAF O=C(Nc1cccc(Cl)c1)C1=C(O)c2cc(Cl)ccc2SC1 28095569 IRNAYGPJRARKOF-UHFFFAOYSA-N 352.242 5.007 0 1 FKAF CCCC[C@@H](C)OCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 28712033 AESBOZOWPNQZDG-GWVGAJKQSA-N 364.574 5.020 0 1 FKAF CC(C)(C)c1ccc(CN(Cc2cccc3ccccc23)n2cnnc2)cc1 32063985 WLGSTVNPSKYNLO-UHFFFAOYSA-N 370.500 5.067 0 1 FKAF Cc1cc(C)cc(NC(=O)c2sccc2SCc2ccncc2)c1 34647641 ZMHKNHZMZLXERJ-UHFFFAOYSA-N 354.500 5.305 0 1 FKAF CCCCCCOc1ccc(C(=O)CCN(CCCC)CCCC)cc1 42922694 IJGMPQISKVNGDE-UHFFFAOYSA-N 361.570 6.121 0 1 FKAF COc1ccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1OC 72109952 RXRNRRDRMFLJER-HSZRJFAPSA-N 369.505 5.033 0 1 FKAF COc1ccc([C@H](CC(=O)c2ccccc2)Sc2ccc(C)cc2)cc1 72112474 TWQNILOECFKEAM-QHCPKHFHSA-N 362.494 6.110 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2ccccc2OC(F)(F)F)n1 72181687 BILZQLMLMIOAJL-CYBMUJFWSA-N 356.388 5.299 0 1 FKAF c1ccc(-c2cccc(-c3cc(NC4Cc5ccccc5C4)ncn3)c2)cc1 82162248 BQWJUXJPWQDHSL-UHFFFAOYSA-N 363.464 5.390 0 1 FKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C(=O)NCC(=O)O 85589939 ILSMDNVBZYGMDG-GUDVDZBRSA-N 355.563 5.262 0 1 FKAF endogenous,in-man COc1ccc(-n2ncc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1 95593454 CWUVDFCOKNOCNV-UHFFFAOYSA-N 371.484 5.770 0 1 FKAF CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccs1 103997943 LNVKXGJWFCJTBI-HXUWFJFHSA-N 366.486 5.561 0 1 FKAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137558667 HWRYKNYRSRPFPM-GIZJYHQCSA-N 372.637 6.855 0 1 FKAF CN(C)c1ccc([C@H](C[C@H](N=O)c2ccc(F)cc2)c2ccccc2)cc1 169730267 VKAHDPXFBMNEJM-PKTZIBPZSA-N 362.448 5.921 0 1 FKAF Clc1ccc2nc(-c3ccccc3)n([C@@H]3CCCN4CCCC[C@H]34)c2c1 299828119 HFIDYFPJJMYBTB-WOJBJXKFSA-N 365.908 5.546 0 1 FKAF CC(C)(C)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)o1 586991936 RCQVLMCUHDRZCE-UHFFFAOYSA-N 369.420 5.709 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C=CC1(CCOCC1)C4)-c1ccccc1C2=O 587101993 SICBRXFHCBLPOB-UHFFFAOYSA-N 367.448 5.121 0 1 FKAF O=C(c1ccc(Cl)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104197 PVRWGFRYHTXTIB-UHFFFAOYSA-N 369.807 5.331 0 1 FKAF Cc1ccc(/C=C/c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1F 587146872 ZDGSQRBOFVKGEY-OUKQBFOZSA-N 358.416 5.760 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cc(C)cc(C)c4[nH]3)c(F)c2)c(F)c1 587153357 YWRRUUKECQWCEA-UHFFFAOYSA-N 364.395 5.801 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc5ncccc5c4[nH]3)c2)c1 587160222 MRXIJWRXNIHENP-UHFFFAOYSA-N 369.399 5.593 0 1 FKAF Fc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OCc1ccccc1 587210722 WVJAUZKMWRRVRR-UHFFFAOYSA-N 355.412 5.719 0 1 FKAF C=C=C[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349328 BPLLGNORAYHWIQ-DENIHFKCSA-N 352.405 5.016 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c[nH]cc2C3)c1 587362521 JJZNVXXXFWCVKH-UHFFFAOYSA-N 352.393 5.556 0 1 FKAF CC[C@@H](C)[C@@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587365178 FIZTYSJYEYBTRJ-WBVHZDCISA-N 371.480 6.418 0 1 FKAF CCCCCCC1(CCCCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444788 GWEUVQPVNTXGKD-LJQANCHMSA-N 358.522 6.122 0 1 FKAF Cc1cccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603979 SZFNAGBIZPTXBR-QPPBQGQZSA-N 374.436 5.054 0 1 FKAF Cc1cccc(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 587627533 AXSCRKMCUKUSMU-UHFFFAOYSA-N 358.285 5.884 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc4ccccc34)c(CN(C)C)c2c1 587642582 NDXZCCZAEZBGIF-KRWDZBQOSA-N 356.513 6.563 0 1 FKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 587782506 NJQDFBDVFHYGMU-UHFFFAOYSA-N 370.452 5.393 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C2CC2)N1 587819052 KRMFOFLRECLEON-NSPYISDASA-N 360.270 5.089 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587824490 XBHVTBWTJPSLLJ-DZDCQFRTSA-N 368.334 5.410 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C)(C)[C@H]1CC[C@]2(C)C1 587830605 VMWPALSTKQDQDB-RZNOAFHXSA-N 366.318 5.164 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cccc(OC)c4[nH]3)c2C)c(OC)c1 587930831 VZIVSROMHVICIN-UHFFFAOYSA-N 374.440 5.231 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1ccc(-c2nccs2)cc1 963096326 DISOCDZVVQLBRI-QUCCMNQESA-N 350.462 5.059 0 1 FKAF CC(C)=CCc1cccc2c([C@H](C=C(C)C)C3=C=C=C=C[C@@H](N)C=C3)c[nH]c12 2356651870 GNLIWLAZNLNPEH-ISKFKSNPSA-N 368.524 6.015 0 1 FKAF CCC=CC=CC=CCCC=CC[C@H](C(=O)O)[C@@]12C=C[C@H]3[C@H]4[C@@H](C[C@H]31)[C@H]42 2356663734 TVVSGJJGORSLDY-OPHGFCCOSA-N 350.502 5.560 0 1 FKAF Cc1ccc([C@H]2c3c(ccc4ccccc34)O[C@@H]2C(=O)c2ccccc2)cc1 2382226198 MHOVEKIRNMSTJG-OZXSUGGESA-N 364.444 5.924 0 1 FKAF COc1cccc(-c2ccc(/C=C\CN3CCCCCC3)cc2Cl)c1 1550016 ZDPINFKDQWCRTF-FPLPWBNLSA-N 355.909 5.905 0 1 FKAF Cc1ccccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 5815676 JVMQBYXBYYCAHM-UHFFFAOYSA-N 362.816 5.709 0 1 FKAF Cc1cccc(C)c1NC(=O)c1ccc2nc(CCc3ccccc3)oc2c1 8611670 YGFRCJARWHQNBP-UHFFFAOYSA-N 370.452 5.482 0 1 FKAF COc1ccc2cccc(CCNC(=O)c3cc(Cl)cc(Cl)c3)c2c1 13650498 BCBQQJGIICZPKJ-UHFFFAOYSA-N 374.267 5.128 0 1 FKAF CCCCC[C@H](C)SC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28097982 JPUVEYMMQIVSGF-QEAJMBLHSA-N 368.583 5.683 0 1 FKAF Fc1ccc(-n2ccc([C@H](c3ccc(Cl)cc3)n3ccnc3)c2)cc1 28230333 DIYSLQICFHBTQL-FQEVSTJZSA-N 351.812 5.104 0 1 FKAF Cc1ccccc1Nc1cc(-c2ccnc(Nc3ccccc3C)c2)ccn1 28571309 SZLFVJUTJRXHTD-UHFFFAOYSA-N 366.468 6.248 0 1 FKAF Cc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1C 35858920 LVBDUBCUFKWBEQ-UHFFFAOYSA-N 368.484 5.978 0 1 FKAF CCOC(=O)/C(=C/Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 40828189 NCODCHMMORQKHV-GXDHUFHOSA-N 370.663 5.663 0 1 FKAF COc1ccc(-c2cc(-c3ccccc3)nc3c2C(=O)CC(C)(C)C3)cc1 49803171 YGBWOKOTWGJRMP-UHFFFAOYSA-N 357.453 5.579 0 1 FKAF CCN(CC)CCC[C@@H](C)Nc1cc(-c2ccc(C(C)C)cc2)ncn1 82161773 CUUJXJFBCGJYAQ-GOSISDBHSA-N 354.542 5.189 0 1 FKAF COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(C)(C)C)cc4c3)n2)c1 144180609 BVRYXIFRVOLNMF-UHFFFAOYSA-N 373.460 5.070 0 1 FKAF COc1ccc(CN(CC[C@H](O)c2ccc3ccccc3c2)C(C)C)cc1 145176201 UYAUYSLEOUKFJK-DEOSSOPVSA-N 363.501 5.183 0 1 FKAF O[C@H](C[C@@H]1CCCCN1)c1cc(-c2ccccc2)nc2cc(Cl)ccc12 169334645 MPCWZYMRZKKBIE-HTAPYJJXSA-N 366.892 5.121 0 1 FKAF Clc1ccc([C@H]2C=C(c3ccccc3)Oc3ccc4ccccc4c32)cc1 197977282 CNNVIFVIJHEUEZ-JOCHJYFZSA-N 368.863 7.059 0 1 FKAF Cc1c(CCc2ccccc2)sc(N)c1C(=O)c1ccc(Cl)cc1 299826812 NLGZLFKLZOHNCX-UHFFFAOYSA-N 355.890 5.308 0 1 FKAF Nc1ccc(-c2cccc(-c3noc(Cc4c[nH]c5ccccc45)n3)c2)cc1 299838695 QVAHXXFXFSCLLQ-UHFFFAOYSA-N 366.424 5.058 0 1 FKAF Cc1ccc(-c2cnc(C3(NCc4c[nH]c5ccccc45)CCCC3)[nH]2)cc1 473094822 WJMWCEVTCGQIMM-UHFFFAOYSA-N 370.500 5.426 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(C)c(Br)cc4[nH]3)cs2)o1 587017916 STIIOPHVIBCJTO-UHFFFAOYSA-N 374.263 5.326 0 1 FKAF CC(C)(C)c1cccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587075695 GZDMQQXVXYZJOO-KRWDZBQOSA-N 353.853 5.131 0 1 FKAF COc1cc(C)ccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107073 NNLWGOXVMSYMJG-UHFFFAOYSA-N 351.405 5.430 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc4ccccc4c3O)nc3cccc1c23 587207273 PXPMMNRHNLAPDP-UHFFFAOYSA-N 373.411 5.972 0 1 FKAF CC[C@]1(CCCC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354857 OWMSLOXNZXHZIB-JTHBVZDNSA-N 370.464 5.865 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1C)([C@@H]1CCC[C@@H](C)C1)O2 587404674 GURVVOSTKREUGD-HGDBAGAISA-N 363.501 5.573 0 1 FKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC(C)C 587523787 PQIPRMHAPBRZLH-NRFANRHFSA-N 366.457 5.068 0 1 FKAF CC1=C(C)C[C@](C)([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587601189 FRVRGJIPASTHGD-UEVCKROQSA-N 364.441 5.249 0 1 FKAF CCc1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(C(F)(F)F)cc1 587629552 BHSHGBLZICWENY-UHFFFAOYSA-N 369.745 5.773 0 1 FKAF Cc1ccc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587802507 MGABJEJYDBWIRZ-JEOXALJRSA-N 373.269 5.002 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccccc3[C@H]2C)N1 587816819 DQPLIJGXKCWFFR-IZDJOXEWSA-N 374.297 5.068 0 1 FKAF CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=C(C)C)CC1 587817896 NOACIUHVIGKOOC-ORAYPTAESA-N 364.302 5.394 0 1 FKAF CC(C)c1ccccc1O[C@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873986 RFGHWKVIPGZSDA-CYBMUJFWSA-N 366.392 5.026 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C)c(Br)cc2[nH]1 587950385 LALHHSYUQZDSAG-ZUCKAHLUSA-N 365.315 5.680 0 1 FKAF Fc1cc2[nH]c(Cc3ccccc3-c3ccccc3)nc2cc1-n1cccn1 587958700 HBQBJVXDJYZFJL-UHFFFAOYSA-N 368.415 5.146 0 1 FKAF C[C@H]1Cc2cc([C@]3(C)NCCc4cccc(-c5ccccc5)c43)ccc2O1 962669803 PBPANIJDFBQIIK-GKVSMKOHSA-N 355.481 5.086 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccccc3)n2)c1 1857542901 SIGXBCZXPXNOLY-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF CCCCCCC1=C(c2ccccc2)[C@]2(Cc3ccccc3)CC[C@@H](O)[C@@H]2C1 1857576258 XWRWYXWWPIDXJT-WEWMWRJBSA-N 374.568 6.814 0 1 FKAF O=C(Nc1cc(O)cc(Cc2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 1857652803 IFXUVPCTNSKIGB-UHFFFAOYSA-N 361.485 5.138 0 1 FKAF O=C(CN1[CH]C=Cc2c1ccc1ccccc21)c1ccc(-c2ccccc2)cc1 2356813600 HFZNANBHRBDCSP-UHFFFAOYSA-N 374.463 6.385 0 1 FKAF C[C@H](c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)Nc1ccccc1S2 2382251925 UAERQNAGMQQZGP-CYBMUJFWSA-N 371.427 7.065 0 1 FKAF CC(C)c1ccc(O[C@@](C)(C(=O)O)[C@@H]2CCc3cc(Cl)ccc32)cc1 13604947 DKPBVAWRUCRJLI-TZIWHRDSSA-N 358.865 5.416 0 1 FKAF CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)SCc1ccco1 13738034 VEIHRXTXEVPULM-UHFFFAOYSA-N 361.463 5.668 0 1 FKAF CC(C)C[C@@H](SC1CCCC1)c1c(O)cc(-c2ccccc2)oc1=O 13740592 HIJDADBORWRDJP-LJQANCHMSA-N 358.503 5.775 0 1 FKAF Cc1cc(C)cc(COC[C@H](N)C2c3ccccc3C=Cc3ccccc32)c1 26271602 MVLDBDSDAOAUMM-VWLOTQADSA-N 369.508 5.463 0 1 FKAF Cc1cc(CCCOc2c(C)cc(-c3cccc(Cl)c3)cc2C)on1 26674564 ZWRSTVWYPCEUES-UHFFFAOYSA-N 355.865 5.932 0 1 FKAF COc1ccc2cc[nH]c2c1-c1cc(C)c2c(c1Cl)[C@H](C)CC(C)(C)N2 29043314 IFFNOGXSDVOOPK-CYBMUJFWSA-N 368.908 6.503 0 1 FKAF O=C(O)c1ccc(NCCCCCCCCCCCC2CCCCC2)cc1 29218099 WOJBBXUMIMLKSL-UHFFFAOYSA-N 373.581 7.278 0 1 FKAF Cc1ccc2cc(-c3n[nH]c4ccc(NCC5CCCCC5)cc34)[nH]c2c1 66077211 KSTIWTXZVDXEBN-UHFFFAOYSA-N 358.489 6.012 0 1 FKAF c1ccc(-c2[nH]c3ccccc3c2-c2ccnc(NC3CCCC3)n2)cc1 72108835 DREKZLFTJPAMIG-UHFFFAOYSA-N 354.457 5.646 0 1 FKAF CCc1cnc(-c2cnc(NC3CCCC3)nc2-c2ccc(F)cc2)s1 82164071 DHTIIZQXWLMYGD-UHFFFAOYSA-N 368.481 5.323 0 1 FKAF CC[C@H](C)Cn1c(C2CC2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181397 NSTYXBQKPHHCKD-ZDUSSCGKSA-N 369.900 5.015 0 1 FKAF O=C1C[C@H](CCc2ccccc2)Oc2c(Br)cc(Cl)cc21 95557461 HLRDZMIXYBBHQS-ZDUSSCGKSA-N 365.654 5.069 0 1 FKAF CCCCC[C@H](CC)CNc1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 100867615 NCFZGLGFTBPAMI-KRWDZBQOSA-N 350.510 5.903 0 1 FKAF CCC/C=C\CSC[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101616870 QXBFRDGMYMBQMJ-MWWWLBCESA-N 352.540 5.071 0 1 FKAF CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccc(Cl)cc1 104004669 YQBSZNODRDURIE-OAQYLSRUSA-N 366.848 5.516 0 1 FKAF COCCCCCC[C@@H]1C[C@@H]2[C@H](CC[C@H]3[C@@H](O)CC[C@@H]23)c2ccc(O)cc21 114564106 JVHGOQSVKBEOFZ-SEBHFYGNSA-N 372.549 5.357 0 1 FKAF Cc1cccc(Nc2nc(-c3ccc(-c4ccncc4F)cc3)cs2)n1 145284819 MKNPNHSFEQMFAR-UHFFFAOYSA-N 362.433 5.458 0 1 FKAF O=C(Cc1ccccc1Cl)Nc1nc2ccc(C(F)(F)F)cc2s1 169309122 HXHBWAKMASIKBO-UHFFFAOYSA-N 370.783 5.150 0 1 FKAF O=C(/C=C\C=C\CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 214846315 BADLEYLQAILHPV-XQEAQFPXSA-N 367.489 5.114 0 1 FKAF CCCn1c2cc(OCCC(C)C)ccc2c2cc[n+](CC(C)C)c(C)c21 299844761 YPMWLVCHXMSCDN-UHFFFAOYSA-N 367.557 5.881 0 1 FKAF COc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2NC(C)(C)C)cc1 473125998 YUJKOMNYVMFTHV-UHFFFAOYSA-N 371.484 5.887 0 1 FKAF CCN(CC)c1nc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2o1 474609992 YPVBMGTWENTZPV-UHFFFAOYSA-N 366.852 5.619 0 1 FKAF Cc1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1F 586976470 FMDYJYKWCGGAIY-UHFFFAOYSA-N 369.621 5.005 0 1 FKAF CCc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586976881 IGCQXLVNIJEECQ-UHFFFAOYSA-N 365.658 5.120 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc(Cl)cc4[nH]3)c21 587031743 UQQFXFUCUQRBFD-NSHDSACASA-N 368.893 5.570 0 1 FKAF FC1(F)Oc2cc3nc(/C=C\c4cccc(Cl)c4Cl)[nH]c3cc2O1 587055774 XNIPFDLRFOXRML-PLNGDYQASA-N 369.154 5.362 0 1 FKAF C[C@@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccccc1C(F)(F)F 587099003 VQASBXGANIQUJE-SSDOTTSWSA-N 360.713 5.665 0 1 FKAF CCOc1cc(/C=C/c2nc3cc(OC)c(C)cc3[nH]2)ccc1OC(F)F 587131154 UVFILDBZDUVTQR-SOFGYWHQSA-N 374.387 5.050 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1F 587150401 DEZAMRPCGSHYOZ-VHSXEESVSA-N 372.724 5.784 0 1 FKAF Fc1ccc2[nH]cc(Cc3nc4ccc(OCc5ccccc5)cc4[nH]3)c2c1 587174047 DKYVFQBCDATEJG-UHFFFAOYSA-N 371.415 5.353 0 1 FKAF O=C(O)CCCCCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587205682 CCHCXIZCJHBMQO-UHFFFAOYSA-N 359.425 5.024 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)c1 587234818 JASDFCHZNNAKPG-UHFFFAOYSA-N 369.802 5.870 0 1 FKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587235798 UMZHMLXFLRBFIS-GDBMZVCRSA-N 371.525 5.411 0 1 FKAF CCN1/C(=C/c2cc3c4c(cccc4n2)CC3)Sc2ccc(OC)cc21 587358193 BGRWMXHRVCXXNM-MTJSOVHGSA-N 360.482 5.273 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2C3)c1 587364712 BIBISEPWRCFAQR-UHFFFAOYSA-N 363.416 6.228 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cccc(C)c1)CC2=O 587468777 AZAZQVPZQGHRCH-QFIPXVFZSA-N 361.441 5.150 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccncc3)c1)CC2=O 587486509 CERUIUINDWAIQR-DEOSSOPVSA-N 373.452 5.287 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1C1CCC1)CC2=O 587489289 OISRLBVEVIUIOH-HSZRJFAPSA-N 350.458 5.493 0 1 FKAF COc1ccccc1C[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587527247 VTVMJCAPCWMPFN-DEOSSOPVSA-N 364.485 5.177 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-n3nc(C(F)(F)F)cc3C3CC3)c2c1 587641466 JDLCFPHANYSFTB-LLVKDONJSA-N 361.411 6.072 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CC3CCC2CC3)N1 587819365 MBFOXMZBQVGAQV-ZVPZDMSZSA-N 366.318 5.164 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(Cl)n1 587855198 MBMHFTSHKBLGMM-UHFFFAOYSA-N 368.651 5.293 0 1 FKAF Cc1ccc([C@H](C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)cc1 653678359 NYDHGTKIQYHALK-INIZCTEOSA-N 357.457 5.988 0 1 FKAF CCCCCC[C@@]1(c2ccccn2)c2ccc(F)cc2C[C@H]2CCCN21 963100593 KFKKQFUVJFYBBR-OFNKIYASSA-N 352.497 5.455 0 1 FKAF CCC=CCC=CCC=CC=C[C@H](O)CC=CCC=CCCC(=O)OC 2356307464 YBCMQRFOERCWAV-QFIPXVFZSA-N 358.522 5.608 0 1 FKAF CC(C)=C[C@@H]1C[C@@](C)(C=Cc2ccc3cc[nH]c3c2)c2cc3[nH]ccc3cc21 2356341411 NYGKKNQYURXQIA-QFQXNSOFSA-N 366.508 7.074 0 1 FKAF CCCCC[C@H](O)C=CC=CCCCC[C@H](CCC(=O)O)CCC(C)C 2356600286 GXMYTVGZPABJDJ-VXKWHMMOSA-N 366.586 6.518 0 1 FKAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OC)cc1C 575249 NWOLVHXXURPPRN-UHFFFAOYSA-N 364.445 5.287 0 1 FKAF Cn1cc(-c2ccccc2)c([C@H](c2cccc3ccccc23)n2ccnc2)c1 5893293 NHZKKSABZOXJHI-VWLOTQADSA-N 363.464 5.680 0 1 FKAF CN1[C@H]2CC[C@@H]1[C@@H](c1cc(C(C)(C)C)no1)[C@@H](c1ccc(Cl)cc1)C2 13532713 MCXVQEGECPBTDZ-XLSPSMHOSA-N 358.913 5.359 0 1 FKAF Cc1ccccc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 28344924 PXVVORRVXCVRDK-UHFFFAOYSA-N 362.376 5.445 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)c1sccc1-2 33827338 BQUDFNSJTOYURU-LSDHHAIUSA-N 358.547 7.068 0 1 FKAF CC(C)(C)N(CCC(=O)c1cc2ccccc2s1)Cc1ccccc1 45355993 AZUMQCHYXSJVJB-UHFFFAOYSA-N 351.515 5.775 0 1 FKAF CCCCCCNC(=S)Nc1cc(OCC)c(Cl)cc1OCC 66102218 NLVVREWOBVYSOW-UHFFFAOYSA-N 358.935 5.004 0 1 FKAF CCCCCCc1cn([C@H](C)c2ccc3c(c2)c2ccccc2n3C)nn1 84669033 AGXHDXLBZHAKGM-QGZVFWFLSA-N 360.505 5.655 0 1 FKAF CCC1=C[C@@H](c2ccccc2)[C@@](/C=C(\C)C(=O)O)(CC)[C@@H]2[C@H](C)C[C@@H](C)[C@@H]12 101661476 CCCHOLIIPIWUMK-IHCILATKSA-N 366.545 6.456 0 1 FKAF Cc1ccc(-c2nncn2-c2ccc3nc(-c4ccccc4)oc3c2)cc1 103291740 FRUCAGWWFALMTG-UHFFFAOYSA-N 352.397 5.051 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CC[C@H](C)C(=O)NCCO 231934751 POPPPMLPRVFFPI-XERWTWMGSA-N 361.570 5.487 0 1 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@H]2[C@H](C)N(C)C)C1 257494078 NLOJUKSOUNWUSW-JSLGNCSESA-N 360.630 5.183 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4ccc(Cl)cc4[nH]3)c2o1 587004731 ZKXZDZNQPJPBAR-UHFFFAOYSA-N 361.626 5.700 0 1 FKAF CCc1cc(OCc2nc3ccc(OC(F)(F)F)cc3[nH]2)ccc1Cl 587052751 LAVHRKTYPBWEDJ-UHFFFAOYSA-N 370.758 5.256 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(Cl)cc(Cl)c2[nH]1 587061924 LNMOLJIOGAMFCD-ZDUSSCGKSA-N 355.652 6.053 0 1 FKAF CC(C)c1ccc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587206352 LJCQKNBIQQCMRR-UHFFFAOYSA-N 363.460 6.160 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2c(Cl)ccnc2[nH]1 587240199 APWQRAXADQRCGK-UHFFFAOYSA-N 350.809 5.031 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Cl)c1)(C1CCCCC1)O2 587378283 NNZHTYOHLUDYAG-JOCHJYFZSA-N 369.892 5.672 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC1CC1)(c1ccc(Cl)cc1)CC2=O 587462662 PSEVBQQXKLGPLC-JOCHJYFZSA-N 370.876 5.659 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1C[C@@H]1c1ccccc1C)CC2=O 587487633 FYZOXDQCUZNFMU-MSYCTHLASA-N 350.458 5.181 0 1 FKAF Cc1c(Cl)ccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)[nH]c12 587509695 WCSUTSJHXXJPOR-HXUWFJFHSA-N 365.860 5.715 0 1 FKAF CC(C)c1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627549 BUERLDOSWODIDQ-UHFFFAOYSA-N 372.312 6.391 0 1 FKAF Cc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587691961 FJLHVAZYNZQQJU-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@@H](C)c2ccccc2)N1 587817656 DHYIFFFDVXAZTO-PBFPGSCMSA-N 362.286 5.357 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C3CCC3)c2)N1 587821607 WGQBPSYHVQMUST-YUNKPMOVSA-N 374.297 5.479 0 1 FKAF CCCC/C=C/C=C\[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821609 WMGAYYZITXCTES-AVNHTEMGSA-N 352.291 5.466 0 1 FKAF Cc1ccc(-c2csc(Cc3nc(-c4ccc(F)cc4)cs3)n2)cc1 587923236 WVIKBIZWRBCYLB-UHFFFAOYSA-N 366.486 5.972 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(-c4ccc(C)cc4)cc3)n2)cc1 587924620 FZACPAPVMJHEBM-UHFFFAOYSA-N 373.546 7.174 0 1 FKAF OCCc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587951082 WBGXMSRDEGTHKT-ACCUITESSA-N 356.425 5.060 0 1 FKAF Oc1ccccc1-c1cc(-c2ccc(Cl)cc2)nc2c1Cc1ccccc1-2 653739729 CDANOPLVGJAAGB-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cncc(-c3ccccc3)c2)N1 962940595 DAGDTTIXHAUEKB-AUSIDOKSSA-N 353.469 5.244 0 1 FKAF Clc1cc(Cl)c2c(c1)[C@](Cc1ccccc1)(c1cccs1)NCC2 963120549 JXNXBIKUKZDRAY-HXUWFJFHSA-N 374.336 5.687 0 1 FKAF O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1coc2ccccc2c1=O 1857611333 OHCUKOHLCKTQBL-UHFFFAOYSA-N 368.603 5.006 0 1 FKAF Cc1ccccc1O[C@]1(C)CCN(Cc2ccc(-c3ccccn3)cc2)C1 61895701 ZCRRNCCNJMRGFI-XMMPIXPASA-N 358.485 5.100 0 3 FKAF C/C(=C/CC[C@@H](C)/C=C/C=C(\C)CCCc1ccoc1)C[C@@H](O)C(=O)O 14691170 SVMYQJZZVIQHRV-CEQUQFKISA-N 360.494 5.303 0 1 FKAF C[C@H]1CC=C[C@](C)([C@@H]2C[C@H](Cc3cccc(O)c3)CC3(CCCC3)C2)C1 85543640 OUOWUEBTLCCJKL-KZDDHRSZSA-N 352.562 6.904 0 1 FKAF biogenic,in-vitro Nc1cc(-c2ccccc2)nc2nc(-c3ccccc3)cc(C(F)(F)F)c12 103213720 NCHHYUFHLPRUAU-UHFFFAOYSA-N 365.358 5.565 0 1 FKAF Cc1ccc2c3c(ccc2n1)N=C1CCCC(O)=C1[C@H]3c1sccc1C 103945593 MBROZVCWJCPBRU-NRFANRHFSA-N 360.482 6.127 0 1 FKAF C/C(=C/c1nsc(Nc2ccc(Cl)c(C)c2)n1)Nc1cc(C)on1 103946166 XUIRLIRKEMNXOF-YFHOEESVSA-N 361.858 5.013 0 1 FKAF C/C1=C\CC(C)(C)C[C@H](OC(=O)/C=C\c2ccc(O)cc2)C/C(C)=C/CC1 208135532 SPBVSJHMHZCQRT-QVSSQMSJSA-N 368.517 6.200 0 1 FKAF CCO[C@H](CC(=O)O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 473098193 FMXCAZLOPQQWRQ-MRXNPFEDSA-N 355.217 5.338 0 1 FKAF CC(C)SC[C@@H](C(=O)c1ccc(Cl)cc1)n1cnc2ccccc21 473110420 VXHGHAZGRLBLTK-SFHVURJKSA-N 358.894 5.255 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(F)cc(F)c3[nH]2)c1 586878360 FXZNBPUIIFLTTQ-UHFFFAOYSA-N 362.379 5.356 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2ccc(Br)c(C)c2[nH]1 586883180 HOYWJYMJONUOFN-UHFFFAOYSA-N 351.247 5.762 0 1 FKAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(Sc4ccccc4)cc3[nH]1)C2 586883948 FCLWWKJWHRUKGT-HRCADAONSA-N 360.482 5.353 0 1 FKAF O=C1c2ccccc2-c2c(C[C@@H]3C[C@H]4CC[C@H]3C4)cnc3ccc(O)c1c23 586990718 FPNOIOWZFFQJMY-KKUMJFAQSA-N 355.437 5.131 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](c1ccccc1)CC3 586990723 FUPTVJCNZBAWKV-HNNXBMFYSA-N 363.416 5.230 0 1 FKAF Fc1c(Br)ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023557 LYWFFHZEKTWPJN-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF FC(F)(F)c1cccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587032368 IONZHGMYLJLJCV-UHFFFAOYSA-N 373.403 5.590 0 1 FKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4nc(Cl)ncc4[nH]3)o2)c1 587052026 VCNZJXPIRRYXQP-UHFFFAOYSA-N 365.607 5.240 0 1 FKAF COc1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587094992 LRGBBKPNNYHASD-UHFFFAOYSA-N 360.257 5.276 0 1 FKAF COc1cccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587095159 QYTUHUOKDUOEQR-UHFFFAOYSA-N 360.257 5.276 0 1 FKAF Cc1ccc2c3c(cc(-c4csc(C(C)C)n4)nc13)-c1ccccc1C2=O 587100807 APDBSTWKWGEXIP-UHFFFAOYSA-N 370.477 6.002 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587161488 OMHNGNCWTIFPPT-NEPJUHHUSA-N 365.633 5.389 0 1 FKAF Cc1ccsc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587379517 YOYINSHSMTWEEK-RXVVDRJESA-N 368.429 5.176 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)[nH]c1ccccc13)O2 587397108 SEMPDUBFBPSYLO-QHCPKHFHSA-N 356.425 5.092 0 1 FKAF COc1cc2c3c(c1)O[C@@](CC(C)(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587423581 WAPZHUJFRLMRLA-JTSKRJEESA-N 370.876 5.428 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1c1ccccc1)CC2=O 587485556 VYALDRAOFDWOKL-CVDCTZTESA-N 350.458 5.407 0 1 FKAF C[C@@]1(c2cnc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587499018 KISXQKNYZDQTJG-IBGZPJMESA-N 362.256 5.148 0 1 FKAF O=C1C[C@H](c2cc3ccc(Cl)cc3[nH]2)Oc2c1ccc1c2CCCC1 587499176 LKWXOIILXBVGPC-HXUWFJFHSA-N 351.833 5.407 0 1 FKAF C[C@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587510359 YRBSKIPVIHIBBH-HXUWFJFHSA-N 361.268 5.753 0 1 FKAF Cc1ccc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601452 GEGUANWBEDQBRL-XUZZJYLKSA-N 374.436 5.054 0 1 FKAF CCc1c(-c2ccc(Br)c(C)c2)[nH]c2ccc(F)c(Cl)c12 587628249 QAYHXKHNXCBMKX-UHFFFAOYSA-N 366.661 6.261 0 1 FKAF O=C(O)CCc1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 587629176 XTZIQAORHHUCLV-UHFFFAOYSA-N 352.192 5.298 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3OC)c(C(C)C)c2c1 587641191 LCBSTJRVMMKKHA-CQSZACIVSA-N 355.909 7.134 0 1 FKAF CCOc1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc1C 587778069 IPLVWIRQZQDHCV-UHFFFAOYSA-N 352.381 5.549 0 1 FKAF COc1ccc(-c2cccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)cc1 587935420 KPCCLWJPPXHVBN-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc5c(cc4[nH]3)OCCCO5)ccc2c1 587935979 XYRMCDBPXXIPMP-CQSZACIVSA-N 374.440 5.038 0 1 FKAF COc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1Cl 587949079 NSIHZINAQCISMA-UHFFFAOYSA-N 364.832 5.608 0 1 FKAF FC(F)(F)c1cc(Cl)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 587950610 DDMYERVHTYIJON-UHFFFAOYSA-N 366.770 5.833 0 1 FKAF CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(C(F)(F)F)cc12 653730501 LZWLUFNKQHQJAP-UHFFFAOYSA-N 361.363 5.194 0 1 FKAF OC[C@H]1CCCN1Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 2382248714 WANCNJJFVFFOAX-JOCHJYFZSA-N 359.469 5.103 0 1 FKAF CSc1ccc(CN2CC[C@](C)(Oc3ccc4ccccc4c3)C2)cc1 61903057 QDLNCYSKQLMYBJ-QHCPKHFHSA-N 363.526 5.605 0 3 FKAF Fc1ccc(Nc2nc(NCc3ccccc3)nc3ccsc23)cc1 61903451 XGOIWSXPPVJMFR-UHFFFAOYSA-N 350.422 5.186 0 3 FKAF O[C@@H](c1cccc(F)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)c[nH]1 61905673 JDQSFQGJCIAZKP-NRFANRHFSA-N 360.388 5.090 0 3 FKAF CC(=O)N[C@H](c1ccccc1)c1nc(-c2csc3ccccc23)cs1 61905959 WLMCYFNWFTXAEM-LJQANCHMSA-N 364.495 5.250 0 3 FKAF Cc1ccccc1-c1ccc2nnc(-c3cccc(OC(F)(F)F)c3)n2c1 82082302 XGLBSPOBRDUFIS-UHFFFAOYSA-N 369.346 5.270 0 3 FKAF Cc1ccc(-c2nc(Nc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 752880 FHLDGCCYGPCAIU-UHFFFAOYSA-N 355.397 5.078 0 1 FKAF Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1 10772972 BWFFZKGXDPCGIX-UHFFFAOYSA-N 364.832 5.153 0 1 FKAF CCC(=O)OCc1c2c(c(OC(=O)CC)c3occ(C)c13)C=CC[C@H]2C 13300537 VVFYLTCWZSJWQD-GFCCVEGCSA-N 356.418 5.030 0 1 FKAF biogenic C/C(=C/CC[C@@H](C)/C=C/C=C(\C)CCCc1ccoc1)C[C@H](O)C(=O)O 14691174 SVMYQJZZVIQHRV-PIQVQTQKSA-N 360.494 5.303 0 1 FKAF COc1ccc2sc(C(=O)N3CCCc4cc(C)ccc43)c(Cl)c2c1 23328275 PTQBNAQCZRUOCQ-UHFFFAOYSA-N 371.889 5.465 0 1 FKAF CC(C)(CCCc1ccc(CCCC(C)(C)CC(=O)O)cc1)CC(=O)O 26171329 MDYNDQURWMCYPW-UHFFFAOYSA-N 362.510 5.334 0 1 FKAF CS(=O)(=O)c1ccc(/C(=C/c2ccc(Cl)cc2)c2ccccc2)cc1 28124460 SSJFWOVZCDSXFK-RCCKNPSSSA-N 368.885 5.332 0 1 FKAF CCC1(CC)OC(=S)N(C)c2ccc(Nc3ccc(F)c(F)c3)cc21 28878620 BSYSVALDFDQAGE-UHFFFAOYSA-N 362.445 5.475 0 1 FKAF Cc1ccc(-c2nnc(CCC(=O)c3ccc(-c4ccccc4)cc3)o2)cc1 43017411 DBBKOYLYICKDNV-UHFFFAOYSA-N 368.436 5.528 0 1 FKAF CC1(C)C=Cc2cc([C@@H](c3ccccc3)n3cnc4ncccc43)ccc2O1 72177172 ZZNXOVWFKQYWAT-JOCHJYFZSA-N 367.452 5.253 0 1 FKAF O=C(Nc1ccc(-c2coc(-c3ccccc3)n2)cc1)c1ccccc1Cl 72178138 FNDZBCKCGJZQSS-UHFFFAOYSA-N 374.827 5.914 0 1 FKAF Fc1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1 82150753 REZYAYCMTBHGQS-UHFFFAOYSA-N 364.423 6.703 0 1 FKAF CCO[P@@](=O)(NC1CCCCC1)Oc1ccc(C(F)(F)F)cc1 102073840 CAAZYUCHWWIOLT-QHCPKHFHSA-N 351.305 5.151 0 1 FKAF C[C@]12C=CC[C@@H]1[C@H]1CCc3cc(OC(=O)c4ccccc4)ccc3[C@H]1CC2 105080028 KHAIFVOAJPIDQL-STAYPELNSA-N 358.481 5.928 0 1 FKAF biogenic Clc1ccc(CN2CC[C@H](Nc3cccc4cnccc34)C2)cc1Cl 114336180 DMPFVMAOEFGDNT-INIZCTEOSA-N 372.299 5.228 0 1 FKAF Cc1cccc(Nc2nc(-c3ccc(-c4ccnc(F)c4)cc3)cs2)n1 145284357 ODSWLBKBLDWSOX-UHFFFAOYSA-N 362.433 5.458 0 1 FKAF CC(C)=CC/C=C(\C)[C@@H]1C/C=C(/C(=O)O)CC/C=C(\C)CC/C=C(/C)CC1 238770407 MQBDHUKRLXQNQC-JHLPECQHSA-N 370.577 7.553 0 1 FKAF CCCCC/C=C\Cc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586992324 VNZBEXIVHHIEPK-SREVYHEPSA-N 357.453 5.831 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(F)cc(F)c2[nH]1 587073916 NRMHAAVRJNZBSX-UHFFFAOYSA-N 354.787 6.137 0 1 FKAF Cc1cc(Cl)cnc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103833 LUSUSMGCLUSFDB-UHFFFAOYSA-N 356.812 5.470 0 1 FKAF Cc1ccc(/C=C\c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1F 587146873 ZDGSQRBOFVKGEY-SEYXRHQNSA-N 358.416 5.760 0 1 FKAF Cc1ccc(C)c2[nH]c([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)nc12 587197969 QQGZSNJUYDPVDZ-FQEVSTJZSA-N 365.477 5.145 0 1 FKAF COc1cccc(-c2cc([C@@H]3C[C@H]4C=C[C@@H]3C4)nc3c2oc2ccccc23)c1 587364457 AGGZBSMALDVHNG-XAUMDUMWSA-N 367.448 6.336 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CCC1CCCC1)(C(C)(C)C)CC2=O 587491871 ZVQNEMXNAMNRHQ-QHCPKHFHSA-N 358.522 6.065 0 1 FKAF C[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587506954 ZKDPUBONLRMZEW-HXUWFJFHSA-N 371.274 5.209 0 1 FKAF CCC[C@H](c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604761 YBXWVXCLCYFSHP-GQOCTPOGSA-N 374.436 5.306 0 1 FKAF CC[C@@]1(c2ccc(C)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614079 QRPCWKYSVNPREX-NQIIRXRSSA-N 366.438 5.029 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2C2CCCC2)N1 587818141 CBOFARBLFMRRPV-YFROIQMUSA-N 366.318 5.308 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)s2)N1 587849851 WPTJZLQAPNCYLW-AYVTZFPOSA-N 374.706 5.101 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(C)c(Cl)cc4[nH]3)c2)c1 587930661 FJEBGXYWXJKJEY-UHFFFAOYSA-N 364.832 5.573 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2-c2nccs2)N1 962943379 GRQHGMZNGGWQDS-JLTOFOAXSA-N 359.498 5.305 0 1 FKAF Cc1ccc([C@@H]2c3c(F)cccc3C[C@H]3CCCN23)c(Br)c1 963106143 QVFLEJLOBSZXTN-AUUYWEPGSA-N 360.270 5.007 0 1 FKAF CC(=O)c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1 1772576303 HIKABOQMROYOGA-UHFFFAOYSA-N 357.335 5.109 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3Cl)nc3c2oc2ccccc23)c1 1772588803 MUYPAZIRMMROHJ-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF CC(C)=C[C@H](O)[C@H](O)C(C)=CCCC(C)=CCc1c[nH]c2ccccc12 2356435905 RWUFSDSPFFBHHT-XZOQPEGZSA-N 353.506 5.071 0 1 FKAF CC[C@H](O)[C@@H](C)CCCC(C)=CC[C@@H](O)C(C)=Cc1csc(C)n1 2356539499 QLPPQPNJLHXPOV-RYGJVYDSSA-N 351.556 5.129 0 1 FKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356660341 KGECUYUTWWUGRM-NQQYONMLSA-N 373.581 5.081 0 1 FKAF CC(C)=CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356701199 XSHOQEAJWUFKPE-PFUHKCGDSA-N 370.621 6.919 0 1 FKAF O=C(O)C=Cc1ccc(-c2cc(O)cc(C3C4CC5CC(C4)CC3C5)c2)cc1 2356755017 AYSIMENVVXAUKH-UHFFFAOYSA-N 374.480 5.697 0 1 FKAF Fc1ccc(-[n+]2nc(Nc3ccccc3)sc2/C=C/c2ccccc2)cc1 15937365 ZQQPRCMKVCYOFI-LFIBNONCSA-N 374.464 5.473 0 3 FKAF Cc1c(-c2cccnc2)n(CCCCCCCC(=O)O)c2ccccc12 5159798 CVVKIXNPXDBREE-UHFFFAOYSA-N 350.462 5.437 0 1 FKAF CCCCc1nc2c(C)cccc2n1Cc1cc(Cl)c(O)c(Cl)c1 26272332 LNNMUXMQWKAJGN-UHFFFAOYSA-N 363.288 5.748 0 1 FKAF Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccoc2)cc1 28890461 OEICYCHYEOXNDX-UHFFFAOYSA-N 361.420 5.755 0 1 FKAF O=C1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 35076154 HTTRVPAJFFVJTE-QHSWPGFUSA-N 359.513 5.162 0 1 FKAF Cc1cnc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)s1 40914879 VDMYZVVOWGYDCM-AJTFCVKESA-N 360.482 5.077 0 1 FKAF C[C@@H](C(=O)NC(C)(C)C)c1ccccc1Nc1c(Cl)cccc1Cl 43010953 YUOKWIGKXGRGFG-GFCCVEGCSA-N 365.304 5.755 0 1 FKAF CCCCCCSc1ccc(C(=O)CCN(C)C)c(Cl)c1Cl 43077480 DGPOADAMPHAWGG-UHFFFAOYSA-N 362.366 5.800 0 1 FKAF c1ccc(Oc2cccc(CNc3cc4c(cn3)[nH]c3ccccc34)c2)cc1 72175801 DMCDUELFWCRWHE-UHFFFAOYSA-N 365.436 6.121 0 1 FKAF O=C(O)CCCCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 102184846 CKZGRGZXFFNECL-QZMNYHDCSA-N 360.582 6.680 0 1 FKAF Cc1nc(C(F)F)c(C(=O)Nc2ccsc2[C@@H](C)CC(C)C)s1 103197682 TWYFNXVNUVZDET-VIFPVBQESA-N 358.479 5.853 0 1 FKAF CO[C@@H]1CCC[C@H](c2cc(N)c3c(c2)OC(C)(C)C2=C3C[C@H](C)CC2)C1 299849155 SDLGIEWKBSPTDG-HLLBOEOZSA-N 355.522 5.686 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 586883725 DCQSFBHFVGNEGS-UGSOOPFHSA-N 362.782 5.607 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 586895874 AOSYHJCSMCSJDF-UHFFFAOYSA-N 356.759 5.534 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](C1CCCC1)CC3 586992423 WFSWJQNLQYMJKU-CQSZACIVSA-N 355.437 5.372 0 1 FKAF Cc1ccc2c3c(cc(Cc4cccc(Cl)c4)nc13)-c1ccccc1C2=O 586993119 LCLAYWWMOMYWNB-UHFFFAOYSA-N 369.851 5.999 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4ccc(F)c(F)c4[nH]3)c2o1 587003810 MZDYTYDOVNLPPI-UHFFFAOYSA-N 363.161 5.325 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c(C)s2)cc1 587012935 OIRUDTYXOXUYPD-UHFFFAOYSA-N 361.514 6.268 0 1 FKAF CCc1cc(OCc2nc3cccc(OC(F)(F)F)c3[nH]2)ccc1Cl 587052688 IGERTVIDJJDAHM-UHFFFAOYSA-N 370.758 5.256 0 1 FKAF Cc1nccc2[nH]c([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587071325 KBXHPTWFEPBUDA-QIXNYHOWSA-N 372.299 5.939 0 1 FKAF COc1cccc(-c2cc(-c3ccncc3F)nc3c2oc2ccccc23)c1 587360966 SCKRJFOPNFAIPO-UHFFFAOYSA-N 370.383 5.858 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(F)=C(F)F)N1 587707422 VPKVXRJFFDPDSI-ANRSDYALSA-N 366.196 5.195 0 1 FKAF CC(C)(C)Sc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1 587921601 JYBYEDRKRIRAEW-UHFFFAOYSA-N 361.482 6.646 0 1 FKAF Fc1cc(Cl)cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587949657 KCKOUEQYZFOTSE-ZHACJKMWSA-N 364.807 6.318 0 1 FKAF Oc1ccccc1-c1cc(-c2ccc(Cl)cc2)c2c(n1)-c1ccccc1C2 653735688 UQEMTAGTVIUGHO-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(O[C@@H](C)CC)c(OC)c1 963241156 LYOPRGVRYTUJLJ-NXMSCROESA-N 367.533 5.619 0 1 FKAF O[C@@]1(c2ccccc2)CCCC[C@@]12C=Cc1c(cnn1-c1ccc(F)cc1)C2 1857550328 IDEHKJXWAPTFBV-BJKOFHAPSA-N 374.459 5.029 0 1 FKAF O=C(Nc1ccccc1-c1cccc2c1[nH]c1ccccc12)c1ccccc1 1857756316 UIKOGCFKHVIFAN-UHFFFAOYSA-N 362.432 6.240 0 1 FKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H](O)CO 2356411492 QHNOMDOVTRGCDL-MLCQCVOFSA-N 372.634 5.822 0 1 FKAF CC(C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356571581 VQSNHPSNPFDOJF-PXWLGMLSSA-N 372.637 6.999 0 1 FKAF CCCCC[C@@H]1C[C@H](OC)c2c3c(cc(O)c2[C@H]1OC)C=CC(C)(C)O3 2356820827 FOPLWCNNWPOBIG-LIVBEALHSA-N 360.494 5.552 0 1 FKAF CCCC[C@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](c2cccc3ccccc23)O1 72136780 PTUXSIBYNPNPKE-HRAATJIYSA-N 366.457 5.424 0 3 FKAF FC(F)(F)c1ccc2nc(Sc3ccc4ccccc4c3)cnc2c1 1658491 DEGAJHOEMFZMLQ-UHFFFAOYSA-N 356.372 5.953 0 1 FKAF O=C1Nc2ccc(Cl)cc2[C@@](Sc2ccccc2)(C(F)(F)F)O1 6581714 YVZDZTKUAYGMHP-CQSZACIVSA-N 359.756 5.410 0 1 FKAF Clc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1Cl 26580170 KLIKGXAAXNGCHA-UHFFFAOYSA-N 365.263 6.718 0 1 FKAF CCc1ccc([C@H](Nc2cc(F)c(F)c(F)c2)[C@@H]2CCCCC2=O)cc1 66262507 GDZPAIJJZDKKON-IERDGZPVSA-N 361.407 5.579 0 1 FKAF N=C(Nc1ccc(Cl)c(CSC2CCCC2)c1)c1cccs1 169352379 DSJGZGZLLJYVLQ-UHFFFAOYSA-N 350.940 6.015 0 1 FKAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccncc3)=CC[C@@H]12 299828174 SNLYTJYJISZPAD-OPNQQPSUSA-N 361.485 5.345 0 1 FKAF OCCCCCCCCCCCc1nc2cc(C(F)(F)F)ncc2[nH]1 586894820 VWXVDLDBAAFNAB-UHFFFAOYSA-N 357.420 5.022 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]3C1CCCC1 586989777 FAAJNTZCOLMLEL-CQSZACIVSA-N 355.437 5.372 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(F)cc4N)nc13)-c1ccccc1C2=O 586995972 OGCROUBVGCMVQN-UHFFFAOYSA-N 354.384 5.143 0 1 FKAF Cc1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1C 587050323 OHIXUKOLEKVPGT-UHFFFAOYSA-N 360.844 5.980 0 1 FKAF CC(C)(C)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587148348 BNNCGWFUSIZXQP-JOCHJYFZSA-N 373.475 6.201 0 1 FKAF O=C(Nc1ccccc1-c1cc2c3c(cccc3n1)CC2)Oc1ccccc1 587213127 OJKYIHLSVUSTPS-UHFFFAOYSA-N 366.420 5.611 0 1 FKAF C[C@]1([C@H]2C[C@H]3CC[C@@H]2C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357477 UMTBLFHGFCGMSR-LJRRJQAVSA-N 366.432 5.085 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCCc3ccc(F)cc31)CC2=O 587472003 OLPYXGPKFDZYAT-JOCHJYFZSA-N 354.421 5.071 0 1 FKAF CCOc1ccc(Cl)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499450 JGCYWAPOZPWATJ-QFIPXVFZSA-N 370.876 5.498 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H](c1ccccc1)C2 587605361 ZENIPNCBUPPLNB-GQOCTPOGSA-N 372.420 5.060 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)c(C)c3)c(C)c2c1 587639312 RCRHNTYXLQHBBA-LBPRGKRZSA-N 356.307 6.728 0 1 FKAF CCc1ccc2[nH]c(-c3ccc(COc4cccc(OC)c4)cc3)nc2c1 587780888 LCSXNVOSRIEABI-UHFFFAOYSA-N 358.441 5.380 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCC(C)(C)C2)N1 587818427 DDICKADGECSIAO-CJBNDPTMSA-N 354.307 5.380 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](c3ccccc3)C2)N1 587818632 RNUGGPBVPTWSHW-RISOHXOYSA-N 374.297 5.285 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccnc2cc(Cl)ccc12 587871506 XTPMJZUDKBWLEC-UHFFFAOYSA-N 367.811 5.279 0 1 FKAF CC1=NN(c2ccc(-n3c(-c4ccccc4)cc4ccccc43)cc2)C(=O)C1 653780384 KSKLHRXTBLTDMN-UHFFFAOYSA-N 365.436 5.410 0 1 FKAF CCn1cc([C@]2(C)NCCc3cccc(-c4ccccc4)c32)c2ccccc21 962667793 MXJIYNIPSAJEIW-SANMLTNESA-N 366.508 5.737 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1C(=O)c1cccc(Br)c1 963237620 YKJBYCSXXDAQEM-AUUYWEPGSA-N 372.306 5.030 0 1 FKAF CC(=O)O[C@H](CC(C)=CC(=O)O)[C@@]1(C)[C@H]2CCC=C(C)[C@]2(C)CC[C@H]1C 2356550616 QMNGBVSRMNPSBB-JLBAHBRCSA-N 362.510 5.138 0 1 FKAF O[C@@](c1ccccc1)(c1nc(/C=C/c2ccccc2)cs1)C(F)(F)F 61906847 JSAZGJWABSGUJE-DXRVJIQQSA-N 361.388 5.112 0 3 FKAF O=C(c1ccccc1)c1cc(Cl)ccc1OCc1nc2ccccc2[nH]1 5974482 XGIUYZNNEVXMAS-UHFFFAOYSA-N 362.816 5.026 0 1 FKAF CC(C)(C)c1ccc2c(c1)CC[C@@H]2NC(=O)Nc1cccc2cnccc12 14973890 VPSCJCQPUGKRNC-NRFANRHFSA-N 359.473 5.341 0 1 FKAF in-vitro CCC/C=C/CCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@@H]21 27763851 QWDZLNDAIUPCIA-CLJKYYQGSA-N 354.534 6.682 0 1 FKAF CCC(C)(C)[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954184 VZWXFRHNHBVAFN-ZDUSSCGKSA-N 355.187 5.056 0 1 FKAF CCCCCCN(C)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 29051898 FIZXTSXGXVTGKK-UHFFFAOYSA-N 361.489 5.504 0 1 FKAF in-vivo C/C(=C/c1ccccc1)CN(C(=O)/C=C\Sc1ccccc1)C(C)(C)C 31904820 BVONSTCKJWVGQA-RKXLPSGMSA-N 365.542 6.023 0 1 FKAF O=C(c1ccccc1-c1ccccc1F)N1CCc2c([nH]c3ccccc23)C1 40846882 SDDRICMIFMBMDP-UHFFFAOYSA-N 370.427 5.173 0 1 FKAF Cc1ccc([C@@H](CCn2cncn2)Oc2ccc(Cl)cc2Cl)cc1 40894163 LBVMLZNGEKRVIV-QGZVFWFLSA-N 362.260 5.104 0 1 FKAF CCC[C@@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(OC)cc1 45167394 IVIWWDXZJCJBJV-GOSISDBHSA-N 367.533 5.824 0 1 FKAF O=C(O)c1ccccc1-c1ccc(CCc2ncc(-c3ccccc3)[nH]2)cc1 49109837 MPOMHLWNVYEWLR-UHFFFAOYSA-N 368.436 5.227 0 1 FKAF O=C(Nc1ccc(Cl)cc1)c1cscc1SCc1ccncc1 64559430 CIJWLJDRUUDYFO-UHFFFAOYSA-N 360.891 5.341 0 1 FKAF Cc1nc(-c2cc(Cl)ccc2Cl)n2c1nnc1ccc(Cl)cc12 95578506 MCCMQVOHAUUTCR-UHFFFAOYSA-N 363.635 5.213 0 1 FKAF CCOC(=O)COc1ccc(-c2ccc(O)c(CC3CCCCC3)c2)cc1 103257588 YPYCJHWZXKVUFQ-UHFFFAOYSA-N 368.473 5.124 0 1 FKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccccc3Cl)cc21 144725738 OVEZLYUBLWCYNS-IBGZPJMESA-N 360.762 5.786 0 1 FKAF O=c1cc(-c2ccc(Br)cc2)oc2ccc3ccccc3c12 225701142 PAVODPUMFMAFMH-UHFFFAOYSA-N 351.199 5.376 0 1 FKAF CCc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1Br 586977303 KVAXNXUYLNAQBM-UHFFFAOYSA-N 373.147 5.111 0 1 FKAF Fc1cc(F)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 587065106 SZPIKHXILXMWBL-UHFFFAOYSA-N 360.747 5.334 0 1 FKAF O=C(Cc1ccc(Cl)cc1)c1nc2cc(Oc3ccccc3)ccc2[nH]1 587072525 RPALGSMFNXBNCL-UHFFFAOYSA-N 362.816 5.434 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc3ncccc3c2[nH]1 587111784 BAAJJDJNBZUOBK-GFCCVEGCSA-N 355.363 5.476 0 1 FKAF CC(C)[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353864 PGFVWNLBMBBHQQ-XKCSPQBFSA-N 368.448 5.475 0 1 FKAF Cc1ccc(C2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587405787 NIUGLYSCMHLMQA-UHFFFAOYSA-N 357.453 5.103 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)sc3ccccc13)CC2=O 587497987 XTOCWFKCGGBZRD-GOSISDBHSA-N 352.455 5.574 0 1 FKAF Cc1c(C)c(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C 587526703 WZFOUNNJPAWSIT-VWLOTQADSA-N 362.513 5.988 0 1 FKAF O=C1C[C@H](CCc2cnc3ccccc3c2)Oc2c1ccc1c2CCCC1 587528391 ZABLMNQZJZWGGG-IBGZPJMESA-N 357.453 5.080 0 1 FKAF CC(C)(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601751 GYARKPNOVRBPRT-NZQKXSOJSA-N 374.436 5.393 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C)(C)[C@@H]1CC[C@@]2(C)C1 587818671 SEQOBEOBZDGNJR-VMQKWGEKSA-N 366.318 5.164 0 1 FKAF c1ccc(C[C@H]2CN(Cc3ccccc3)CCCN2Cc2ccccc2)cc1 1772643001 VCXGMWMEDVHRTD-SANMLTNESA-N 370.540 5.006 0 1 FKAF COc1ccc2cc(-c3ccc(-c4ccc(C(=N)N)s4)s3)ccc2c1 1857546866 CVCHYSLSZPZTHC-UHFFFAOYSA-N 364.495 5.589 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(F)c3)nc3c2Cc2ccc(O)cc2-3)c1 1857615654 WFRVOHFXASAKQW-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CC(C)CCCCCCC[C@@H](O)CC(=O)N1CC=CC[C@H]1c1cccnc1 2356821741 GEFWLZQQJKNTLU-YADHBBJMSA-N 372.553 5.049 0 1 FKAF CC(=O)OC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356830381 JHODWVUVWQQBHM-DWADRADRSA-N 374.565 5.126 0 1 FKAF CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC 2356843157 NCMZVIQBFMNIQM-UHFFFAOYSA-N 364.617 8.987 0 1 FKAF COc1cc(C)ccc1Oc1ccc2c(-c3ccccc3OC)noc2n1 205223364 KVOOYZXCVSJOGM-UHFFFAOYSA-N 362.385 5.008 0 3 FKAF O=C(NCc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773710 KEWDPUYFOBCJSW-UHFFFAOYSA-N 372.399 5.078 0 1 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccco1)Oc1ccc(F)cc1-3 13527254 DZATYSMEKYVDKI-MTJSOVHGSA-N 373.427 6.584 0 1 FKAF CCCCCCNC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12 13833110 MQKGHFJEGWZPKM-UHFFFAOYSA-N 352.453 5.213 0 1 FKAF N=C(Nc1ccccc1/C=C/c1ccccc1)NC12CC3CC(CC(C3)C1)C2 26493864 ABYVXJXTOJUFEC-ZHACJKMWSA-N 371.528 5.762 0 1 FKAF CCOc1ccc(Cc2ccc([C@H](C)C(=O)O)c3cc(OC)ccc23)cc1 26639152 DKJXXPSZIQEGTO-HNNXBMFYSA-N 364.441 5.026 0 1 FKAF CC(=O)c1ccc2c(c1)N(C[C@@H](C)CN(C)C)c1cc(Cl)ccc1S2 27721224 CMFHRVSZADUNBX-ZDUSSCGKSA-N 374.937 5.343 0 1 FKAF Nc1ccc(/C=C/c2ccc(-c3nc4cc(OCCF)ccc4o3)cc2)cc1 29129095 LNJWFTNEOUYNFB-OWOJBTEDSA-N 374.415 5.596 0 1 FKAF CCC(=O)c1ccc2c(c1)/C(=C\[C@H](C)CN(C)C)c1ccccc1S2 40511652 JFOBSYHELCDDBZ-BRYHAGSVSA-N 351.515 5.373 0 1 FKAF COc1c(C(C)(C)C)cc(-c2cc(=S)ss2)cc1C(C)(C)C 40873727 ADYCDQRKYSUEAJ-UHFFFAOYSA-N 352.590 6.810 0 1 FKAF O=C(O)c1ccccc1Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 62260201 FPIAFOIBMNEWCI-UHFFFAOYSA-N 373.330 5.940 0 1 FKAF CCCCC/C=C\C/C(O)=C\C/C=C\C=C\[C@H](O)CCCC(=O)OC 100707560 OCCFBAZSTLZLQD-XYIPGEIISA-N 350.499 5.162 0 1 FKAF CCCCN[C@H]1CC[C@H](c2ccc(OCCCN3CCCCC3)cc2)CC1 101437299 YSFJQETUBNXLQX-DKXQDJALSA-N 372.597 5.357 0 1 FKAF CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)sc12 166193119 NZLAOXKEMLYLIA-UHFFFAOYSA-N 367.562 6.592 0 1 FKAF Cc1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](C)CC4)ccc2-3)cc1 253674268 GXUAMVYPUMPBMN-CYWCHRQTSA-N 371.528 5.625 0 1 FKAF O=C(O)CCCCCCCN=c1c2c([nH]c3cc(Cl)ccc13)CCCC2 473151527 PVNJKFVQNBUSDO-UHFFFAOYSA-N 374.912 5.026 0 1 FKAF Cc1cccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587001831 QYJGQJHFGAZIRK-UHFFFAOYSA-N 367.246 5.366 0 1 FKAF C[C@@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccccc1C(F)(F)F 587098358 QTMTZSJGCYKFLR-MRVPVSSYSA-N 359.273 5.147 0 1 FKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cncc(C)c4[nH]3)cc2F)c1 587143703 WXLDUGCTTLRQGZ-UHFFFAOYSA-N 367.811 5.401 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587170636 SCSCXTHXIWMFTR-QMMMGPOBSA-N 356.253 5.300 0 1 FKAF O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1coc2ccccc12 587280779 AVOFTWXOKKRLAE-UHFFFAOYSA-N 372.264 5.896 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](CCO)CCC3)c1 587365032 CORIDEPHRUCWKO-HNNXBMFYSA-N 373.452 5.459 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccccc1C)[C@@H](C2)C3=O 587443543 ASPDCFJASCCTQH-RDPSFJRHSA-N 356.421 5.159 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3cccs3)s1)CC2=O 587493773 GPZWZTUWJIBQFO-OAHLLOKOSA-N 371.483 5.236 0 1 FKAF CC(C)Oc1ccc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498686 FSMHEMIMOLYPIV-OAQYLSRUSA-N 370.876 5.713 0 1 FKAF C[C@@]1(c2ccc(-c3ccncc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514762 JWFLCAOGINACRL-VWLOTQADSA-N 369.464 5.508 0 1 FKAF CC[C@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600986 DMAAQJBURUVODV-ZJSXRUAMSA-N 374.436 5.276 0 1 FKAF CC[C@]1(c2ccc(C)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614077 QRPCWKYSVNPREX-GHTZIAJQSA-N 366.438 5.029 0 1 FKAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)(F)F)cc1 587624066 DMVGUUHZLWQTSW-UHFFFAOYSA-N 351.755 5.850 0 1 FKAF CC[C@@H](C)c1ccc(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)cc1 587626936 KOLBQFNSGWDXIN-GFCCVEGCSA-N 354.881 6.204 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCC2CCCCC2)N1 587821391 UQYCSFCIHAXACJ-KZULUSFZSA-N 354.307 5.524 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(Cl)ccc1Cl 587869807 SHHIWWKLLNHQSS-UHFFFAOYSA-N 351.208 5.384 0 1 FKAF CCc1ccc2[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)nc2c1 587929069 PIWGJBTUFADIOO-UHFFFAOYSA-N 358.441 5.477 0 1 FKAF CC(=O)O[C@H](CC(C)=CC(=O)O)[C@@]1(C)[C@H]2CCCC(C)(C)C2=CC[C@H]1C 2356378638 RPDYJAJHHFYDMP-TWSMVNEUSA-N 362.510 5.138 0 1 FKAF CCC=C1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356472236 PCFLWNUQAQQXOU-LQDRYOBXSA-N 358.566 6.297 0 1 FKAF CC1=C[C@H](c2ccc3[nH]ccc3c2)[C@@](C)(C=Cc2ccc3[nH]ccc3c2)CC1 2356772511 AGXPNMMYDKKSMT-ZEQKJWHPSA-N 366.508 7.193 0 1 FKAF Clc1cccc(Nc2ncnc3n[nH]c(Nc4cccc(Cl)c4)c23)c1 839389 URVRJEIGGRSCLI-UHFFFAOYSA-N 371.231 5.147 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 4536990 QBEFIFWEOSUTKV-SQNIBIBYSA-N 370.577 7.457 0 1 FKAF CC(/C=C/CC1(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1)=C\C(=O)O 13487077 BGVPDBYBQCFFGN-KSWQMODOSA-N 354.534 6.290 0 1 FKAF CCC[C@@H](CC)Oc1c(OC)cc(N[C@H](C)CCCN)c2ncc(C)cc12 28221360 DNWITSZJVUGCBR-IAGOWNOFSA-N 373.541 5.049 0 1 FKAF O=c1[nH]c2ccccc2c2c1c(-c1ccccc1)nn2-c1cccc(Cl)c1 29467096 ZXXHAHVMQIRHQO-UHFFFAOYSA-N 371.827 5.187 0 1 FKAF CCCCCc1oc(CCCCCCCCCCC(=O)OC)c(C)c1C 32221298 RFRVAUMNCAWBEI-UHFFFAOYSA-N 364.570 6.856 0 1 FKAF biogenic CCCC/C=C\CCCCCCCCCc1cc(OC)cc(OC)c1O 33833998 GBCXPDPXQWPCTG-FPLPWBNLSA-N 362.554 6.819 0 1 FKAF biogenic,in-vitro CC1(C)CCC(C)(C)c2cc([C@H]3O[C@@H]3c3ccc(C(=O)O)cc3)ccc21 40802060 RQPFFBDHHKQKFQ-WOJBJXKFSA-N 350.458 5.546 0 1 FKAF O=C1CCC(/C=C/c2ccc(-c3ccccc3)cc2)=NN1c1ccccc1 40976588 USMLTHGZZKPBEY-DTQAZKPQSA-N 352.437 5.550 0 1 FKAF CC(C)NCc1cccc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 45238497 BBJYRMWFPMRPRI-UHFFFAOYSA-N 362.448 5.243 0 1 FKAF COc1c(O)c(C)c(C/C=C(\C)CCCCCCc2ccccc2)oc1=O 71296626 RLHYLTRNTUTEBU-BMRADRMJSA-N 370.489 5.344 0 1 FKAF in-vitro COc1ccc([C@@H](c2c[nH]c3ccc(OC)cc23)N(C)c2ccccc2)cc1 71340299 IKZGFXSFCCKNRO-DEOSSOPVSA-N 372.468 5.411 0 1 FKAF Fc1ccccc1Oc1ccc(Nc2ncnc3cc[nH]c23)cc1Cl 73141881 XWHJPZMQYNMSOJ-UHFFFAOYSA-N 354.772 5.286 0 1 FKAF C[C@H](CCc1ccccc1)Nc1cc(Oc2cccc3cccnc23)ncn1 82067664 WQOCLMBGFBHFKI-QGZVFWFLSA-N 370.456 5.250 0 1 FKAF CN(c1cc(Oc2ccc3oc4ccccc4c3c2)ncn1)C1CCCCC1 82067804 RJRMBXKTZFMBIB-UHFFFAOYSA-N 373.456 5.937 0 1 FKAF CC(=O)O[C@H](C=C(C)C)C(=O)c1c(C)ccc2cc(C(C)C)c(O)cc12 85997005 VBKPPWYSAHAAGV-HXUWFJFHSA-N 354.446 5.058 0 1 FKAF biogenic OC1(c2ccc(Cl)cc2)C[C@H]2CC[C@H](C1)N2Cc1coc2ccccc12 101185323 CNNRPXDUHKLPGW-RTBURBONSA-N 367.876 5.101 0 1 FKAF S=C(Nc1ccc(Cl)cc1)Nc1nc2c(ccc3ccccc32)s1 103294839 PJZPHJLYSPGRSQ-UHFFFAOYSA-N 369.902 5.912 0 1 FKAF CCc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113656721 JVOLVCNRQRHUHA-UHFFFAOYSA-N 367.496 5.569 0 1 FKAF Oc1cccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1 143060217 PWYKRPPSSMIWFD-UHFFFAOYSA-N 352.397 5.227 0 1 FKAF CC(=O)OC/C=C(\C)CCC1=C(C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]12C 238774571 VYHQRVHVJIOYAH-SIXDBYLKSA-N 362.510 5.284 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(C(C)=O)ccc4[nH]3)cc2)CC1 586879607 GUECPUBGNYOAAA-WGSAOQKQSA-N 374.528 6.897 0 1 FKAF CC(C)(C)c1cccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587047672 ADNRJVYOSPJYLG-NWDGAFQWSA-N 359.300 6.438 0 1 FKAF COc1cccc(-c2ccc(-c3nc4ccc(O)cc4[nH]3)c(Cl)c2)c1 587051943 GXQHQXXLWPJKGG-UHFFFAOYSA-N 350.805 5.265 0 1 FKAF CCn1cc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)c(C)n1 587097849 LAJPVDXDYCFPEG-UHFFFAOYSA-N 367.452 5.255 0 1 FKAF O=C1c2ccccc2-c2cc(CCc3cccc(F)c3)nc3cccc1c23 587104574 YVESUAGFPVZEJN-UHFFFAOYSA-N 353.396 5.371 0 1 FKAF CC(C)=CCC/C(C)=C/C[C@@]1(C2CCC2)CC(=O)c2cc(C)cc(N)c2O1 587405324 KKRFVZJQUNZQRF-OBZJUVQRSA-N 367.533 6.164 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c3c(Cl)cccc3c1C)CC2=O 587462366 PWXFQVAUUQASRE-GOSISDBHSA-N 369.848 5.494 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](C1(c3ccccc3)CCCC1)CC2=O 587484471 SGFVLQQFRTWLJJ-NRFANRHFSA-N 350.458 5.191 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3O)cc1)CC2=O 587491350 UFGZNONSXKCITA-HSZRJFAPSA-N 374.436 5.424 0 1 FKAF O=C1C[C@@H](c2cc(-c3ccccc3F)no2)Oc2c1ccc1c2CCCC1 587505947 QWNZPAWZEQWFAL-FQEVSTJZSA-N 363.388 5.066 0 1 FKAF CC(C)C[C@@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587520921 CIOHKOGYSQLBET-VWLOTQADSA-N 362.513 5.948 0 1 FKAF Cc1cc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550747 YGFLNSBXXHYYLC-RXVVDRJESA-N 366.800 5.057 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(C)(C)C(=O)O)c2c1 587642207 QTWWIMWVMQIYQN-ZDUSSCGKSA-N 369.892 6.364 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2C2CC2)N1 587814097 FXCNCFHKPFPFLL-ODXCJYRJSA-N 374.297 5.263 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccn1)c1cc(C)ccc1C 963241650 NCXFKJNBTBNMFO-RLWLMLJZSA-N 370.540 5.647 0 1 FKAF COc1ccc(NCc2ccc(OC)c(-c3cccc(Cl)c3)c2)cc1 1857565523 YPHCBOOVOVVYEG-UHFFFAOYSA-N 353.849 5.636 0 1 FKAF CC(=O)O[C@@H]1CC[C@@H]2C(C(C)C)=CC[C@@]2(C)[C@H]2C=C(C(=O)O)CCC2=C1C 2356307065 WVPBFHHEHAREER-ADYITMSISA-N 372.505 5.058 0 1 FKAF Cc1ccc2nc(-c3ccc(F)cc3)c(Cc3cccc(Cl)c3)n2c1 72137588 DTVVYVQPTGFLHD-UHFFFAOYSA-N 350.824 5.693 0 3 FKAF CCN(CC)C(=O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 3905419 RZCHUWOWWZKPOH-IEWPRLFMSA-N 374.528 5.465 0 1 FKAF C(=N/Nc1nncc2ccccc12)\c1c(-c2ccccc2)[nH]c2ccccc12 6287739 VTEIMTUTHPPPAX-MFKUBSTISA-N 363.424 5.224 0 1 FKAF COCCOc1cc(C)cc(/C=C(C)/C=C/C2=C(C)CCCC2(C)C)n1 12953017 HNRHZJAVVSLQCH-XYJQQDCNSA-N 355.522 5.901 0 1 FKAF Cc1cc2c(-c3[nH]c4ccccc4c3N=O)c(O)[nH]c2cc1Br 13559469 JTXGWTJLZDKHJQ-UHFFFAOYSA-N 370.206 5.491 0 1 FKAF CSc1ccc(C(=O)[C@@H](Nc2ncccc2Cl)c2ccccc2)cc1 13588964 XYRKEXXWENKGGP-SFHVURJKSA-N 368.889 5.493 0 1 FKAF CC(C)(C)c1ccc(SCCCC[C@H](CN)c2ccc(F)cc2)cc1 27765220 BDZDUXIRXCUNFJ-GOSISDBHSA-N 359.554 6.128 0 1 FKAF C/C(=C\COCCCc1ccccc1)CC/C=C(\C)CCC(=O)N(C)C 28899216 ITSJKLONGFLBRF-NYBGIHQWSA-N 357.538 5.177 0 1 FKAF CN(c1cc(Oc2ccc(-c3ccccc3)cc2)ncn1)C1CCCCC1 34044193 ZIVLWUQPGZVBKF-UHFFFAOYSA-N 359.473 5.705 0 1 FKAF CC(C)(C)c1ccc(-c2ccccc2CNC(=O)c2cccc(O)c2)cc1 45229728 WSARICYEDTVKOF-UHFFFAOYSA-N 359.469 5.287 0 1 FKAF CCO[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H](OC(C)(C)C)n1cnc(C)c1 45355891 OZBDUANXCWNNPS-DLBZAZTESA-N 370.415 5.302 0 1 FKAF Cc1cccc(OCc2ccccc2-c2nnc(-c3ccccc3F)o2)c1 64454438 USJRUYQKZLXDPT-UHFFFAOYSA-N 360.388 5.430 0 1 FKAF N[C@@H]1C[C@H]1c1ccc(OCC2CCCCC2)cc1OCC1CCCCC1 87613247 SWSWEUYPXYBKBC-FCHUYYIVSA-N 357.538 5.419 0 1 FKAF Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1F 114755066 RCELRZXMKQDORQ-UHFFFAOYSA-N 368.427 5.850 0 1 FKAF CCCCN(C)C1(c2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 146974845 ULPRFMGFIKYAMU-UHFFFAOYSA-N 364.577 5.645 0 1 FKAF CCCC/C=C\CCCCCCCC(=O)CCCCc1ccc(O)cc1 219010152 AHNNTEHYIRIWKP-WAYWQWQTSA-N 358.566 7.151 0 1 FKAF C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](c3ccc(=O)oc3)CC[C@H]12 263638933 YBPMPRDOWHIVNA-AEIXYKIOSA-N 354.534 6.156 0 1 FKAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3cccnc3)CC[C@@H]12 299825864 KXVWLNBWHKYEAM-QBUXITHQSA-N 363.501 5.436 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(F)ccc4N)nc13)-c1ccccc1C2=O 586996931 WJPVPJVMDAYXPF-UHFFFAOYSA-N 354.384 5.143 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H](C)[C@H]4c1ccccc1)-c1ccccc1C2=O 587102002 YHELLPLAWLUQLR-QRWLVFNGSA-N 361.444 6.004 0 1 FKAF COc1cc(OC)c2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc2c1 587145095 HMDKAFDXFSHSJR-UHFFFAOYSA-N 366.367 5.192 0 1 FKAF Cc1ccc(/C=C/c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1F 587146341 IXLJDFFQZRNUFQ-SNAWJCMRSA-N 370.733 5.733 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587152864 SVNAHKQOZCNMLW-DLBZAZTESA-N 374.390 5.343 0 1 FKAF CC(C)[C@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)N(C)C(=O)OC(C)(C)C 587198250 VNLKPRBUGNHLBG-CQSZACIVSA-N 372.296 5.434 0 1 FKAF Cc1cccc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587401259 VDSGWXGXCGMVSF-HSZRJFAPSA-N 373.452 5.171 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(Cl)cc1O)CC2=O 587460026 KUXGBAUELHDOOQ-KRWDZBQOSA-N 367.228 5.064 0 1 FKAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCC[C@H](C(F)(F)F)C1)CC2=O 587463993 FVERMHOCPMCTMK-PRXAMGSTSA-N 356.384 5.047 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1oc3ccc(C)cc3c1C)CC2=O 587476657 DINOPJYXBSGUCB-HXUWFJFHSA-N 350.414 5.414 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ncc(-c3ccccc3)s1)CC2=O 587493383 FMQXOXWDSZCWPU-GOSISDBHSA-N 365.454 5.175 0 1 FKAF CC1=CCCC(C)(C)[C@@H]1CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525263 RJXJCXQMKOEKHA-BWKNWUBXSA-N 366.545 6.452 0 1 FKAF CCCC[C@]1(CCCCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587529227 LUJBGMIXLDPZFQ-QFIPXVFZSA-N 358.478 5.105 0 1 FKAF Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587600591 BJGXNHRBDRRVQE-ZJSXRUAMSA-N 374.436 5.194 0 1 FKAF Cc1c(-c2cc(Br)ccc2F)[nH]c2ccc(F)c(Cl)c12 587629650 VMEYPRLIBDRMBU-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccc(F)cc2)cc1 587630253 HVTVPWGBTZZHLC-UHFFFAOYSA-N 369.798 6.442 0 1 FKAF Fc1ccc(-c2c(CCCCC3OCCO3)[nH]c3cccc(F)c23)cc1 587634989 XBBVUVKGTNIUOJ-UHFFFAOYSA-N 357.400 5.199 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2Cl)N1 587723300 WQGKCGVLEUAJOI-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF CCC[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587819112 GRIFHUIWEOYADL-DFHBCGBQSA-N 354.307 5.308 0 1 FKAF Cc1ccccc1/C=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587819718 MSXDAAOGIYABCW-JQGIQBBYSA-N 360.270 5.185 0 1 FKAF CC1=C[C@H](C)C[C@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C1 587822206 JEFAXEUMBRGPHQ-NCSAXHRDSA-N 352.291 5.156 0 1 FKAF Cc1c(F)ccc2c1[C@@](Cc1c(F)cccc1Cl)(c1ccoc1)NCC2 962142798 FVWYDAPNMIJVNL-OAQYLSRUSA-N 373.830 5.152 0 1 FKAF Cc1c(F)ccc2c1[C@@](Cc1ccc(F)cc1Cl)(c1ccoc1)NCC2 962144426 KUMGIXXRSVFBCN-OAQYLSRUSA-N 373.830 5.152 0 1 FKAF Fc1cccc(CC[C@]2(C3CC3)c3c(F)cccc3C[C@H]3CCCN32)c1 963104769 IIHAUMCJBVCUKS-OFNKIYASSA-N 353.456 5.223 0 1 FKAF C[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 1772645450 FFRRMTGITZKOSB-UGKGDSSDSA-N 363.545 5.789 0 1 FKAF O=C(c1cccc2ccccc12)c1ccc(OCCCCO)c2ccccc12 1857635913 DJJAQYIPZUOPPD-UHFFFAOYSA-N 370.448 5.375 0 1 FKAF C[C@@H]1CCCCC(=CCl)C[C@@H](C(C)(C)C)CC(=O)CC=CN(C)C1=O 2356381495 PEHOQRLZZGCHCP-SJLPKXTDSA-N 367.961 5.693 0 1 FKAF CC=Cc1ccc2oc(-c3c(OC)cc(OC)c(OC)c3OC)cc2c1 2356462061 DPMJPJLSSHPBNQ-UHFFFAOYSA-N 354.402 5.167 0 1 FKAF CC(=O)OC(C)(C)CCC[C@H](C)CCC[C@@H](C)C[C@@H]1CC(C)=CC(=O)O1 2356636029 SKZOHFSPGLBGJP-MBOZVWFJSA-N 366.542 5.593 0 1 FKAF Cc1ccc(-c2ccc(-c3cc(=O)oc4c(C(C)C)ccc(C)c34)cc2)cc1 13814821 URNIDLKPTBNDHQ-UHFFFAOYSA-N 368.476 6.867 0 3 FKAF aggregator COc1ccc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)cc1 3590526 USENBSHPIYEUGB-UHFFFAOYSA-N 351.446 5.287 0 1 FKAF COc1ccc(Nc2nc(-c3ccc(C)cc3)nc3ccccc23)cc1OC 5659301 WGMQVKACARBIFD-UHFFFAOYSA-N 371.440 5.366 0 1 FKAF Clc1ccccc1C1=CCN(CCCCc2c[nH]c3ccccc23)CC1 13728592 WWMBSJAUCLHJCQ-UHFFFAOYSA-N 364.920 5.933 0 1 FKAF O=C([C@H]1C[C@H]1CCCCOc1ccc(-c2ccccc2)cc1)C(F)(F)F 13860577 ITSACUVEMJVYBM-MJGOQNOKSA-N 362.391 5.670 0 1 FKAF CC1=CCCC(C)(C)[C@H]1CC/C(C)=C/CC[C@@H](CO)CCCc1ccoc1 14515595 UJVZMYQCMKGVLL-IRXJTFMESA-N 372.593 7.100 0 1 FKAF in-vivo CC(C)CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26388106 UIRGBYWISWGYEM-MLIOMYKMSA-N 373.581 5.081 0 1 FKAF Oc1ccc([C@H]([C@H](c2ccc(O)cc2)C(F)(F)F)C(F)(F)F)cc1 26971982 JECBNLGNXJDVJN-OKILXGFUSA-N 350.258 5.090 0 1 FKAF CC[C@@H]1C=C1C/C=C\C[C@H](O)/C=C/C=C/C/C=C\C/C=C\CCC(=O)O 27643257 CWSPVLXISZCJGY-VOWWAXAXSA-N 356.506 5.520 0 1 FKAF in-man CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 27652261 XAUNJOUEWQWLCP-UYWIDEMCSA-N 370.577 7.323 0 1 FKAF CCCCOc1ccc(NC(=S)Nc2ccc(OCCCC)cc2)cc1 33488172 IXBVMHHGEKZUKE-UHFFFAOYSA-N 372.534 5.853 0 1 FKAF O=C(Nc1cccc(-c2ccc(CN3CCCC3)cc2)c1)c1ccc(F)cc1 45194913 HWBYJZQGOOLADZ-UHFFFAOYSA-N 374.459 5.341 0 1 FKAF CCO[C@@H](c1cc(Cl)cc(Cl)c1)[C@H](SC(C)(C)C)n1ccnc1 45357638 TXBNGJUWIZRYNB-HOTGVXAUSA-N 373.349 5.998 0 1 FKAF Clc1ccc(CN[C@H]2CCCC[C@H]2NCc2ccc(Cl)cc2)cc1 66100619 FQHCMJGVOMGZJD-BGYRXZFFSA-N 363.332 5.184 0 1 FKAF COc1cc2c3c(oc2c(C=O)c1OC)CC[C@H]1C(C)(C)CCC[C@]31C 66251291 LTJDXRUTQIEAAJ-JTSKRJEESA-N 356.462 5.293 0 1 FKAF CCc1ccc2c(Nc3cc(C)ccc3Sc3ccccc3)ncnc2n1 73294248 XDWFREXNBYFVTM-UHFFFAOYSA-N 372.497 5.790 0 1 FKAF Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2Cl)s1 95583874 BPVMWHNSWDDASS-SFHVURJKSA-N 354.862 5.481 0 1 FKAF CCOc1ccc([C@H]2C3=C(O)CCCC3=Nc3ccc4ncccc4c32)cc1 101895447 YMHINAJXKVTASY-JOCHJYFZSA-N 370.452 5.848 0 1 FKAF COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1ccc(Cl)cc1 103232673 BBKFPFLYSQSXTB-FQEVSTJZSA-N 364.828 5.465 0 1 FKAF C[C@]12CC=C(c3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 118923971 DVFACKFNDPANLI-BRXSOUEKSA-N 350.546 6.084 0 1 FKAF biogenic Cc1cc(/C=C2\SC(=O)NC2=O)ccc1OCCCCC1CCCCC1 139429286 ZKWDVBASPHIGDE-RGEXLXHISA-N 373.518 5.448 0 1 FKAF Fc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1F 143107430 XPLFQVYYHOHJKT-UHFFFAOYSA-N 373.366 5.195 0 1 FKAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2C)c1 218364164 WNOUSNXGJRHXDV-HSZRJFAPSA-N 370.452 5.521 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(N)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 221658038 HPKXOIUOAUEOCY-FGTMMUONSA-N 369.593 7.333 0 1 FKAF c1ccc(-c2ccc(-c3ncncc3-c3csc4ccccc34)s2)cc1 299862965 ODZNJEYARXRPMH-UHFFFAOYSA-N 370.502 6.754 0 1 FKAF O=C1CCc2cc3nc([C@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3cc2N1 587050610 PWPXQNZOGLVMKF-QWRGUYRKSA-N 372.255 5.026 0 1 FKAF CCc1cc(OCc2nc3ccc4nc(C)ccc4c3[nH]2)ccc1Cl 587052618 FGLUJUUFYOZEBA-UHFFFAOYSA-N 351.837 5.214 0 1 FKAF Cc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1C 587063779 WWCHHUFNGSWWLM-UHFFFAOYSA-N 362.860 6.079 0 1 FKAF CCn1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cn1 587363034 KYXIFYSCOCTZAG-UHFFFAOYSA-N 369.424 5.540 0 1 FKAF CCn1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)n1 587363855 PLIRZEITQKPIJI-UHFFFAOYSA-N 369.424 5.540 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1oc3cc(OC)ccc3c1C)CC2=O 587485216 UBZKGRWBLKDJKI-FQEVSTJZSA-N 366.413 5.114 0 1 FKAF Cc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C)ccc1Br 587628112 OJDNCKMUUVTCSI-UHFFFAOYSA-N 352.634 6.007 0 1 FKAF CCOC(=O)c1[nH]c2ccc([C@@H](C)CC)cc2c1-c1ccc2ccccc2n1 587643050 AXSISTRWFUCXAE-HNNXBMFYSA-N 372.468 6.073 0 1 FKAF Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587813169 BRESGYDUVXCLEV-YJYMSZOUSA-N 362.286 5.003 0 1 FKAF CC1=CC[C@H](C[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587817923 FOKRPMIZMMLKPW-DFHBCGBQSA-N 366.318 5.546 0 1 FKAF Cc1cc2c(cc1F)[C@@]1(C=C3C(C)(C)[C@H]4CC[C@@]3(C4)C(C)(C)C1)NCC2 962370714 DOCWEGHJPLPPDA-DPSWKAHMSA-N 353.525 5.658 0 1 FKAF CCc1cc(CC)c([C@H]2NCCc3cc(-c4ccccc4)ccc32)c(CC)c1 962665062 JWJVSJBNMFKPEW-MHZLTWQESA-N 369.552 6.276 0 1 FKAF CC(C)=CCC/C(C)=C/Cn1cc(CN2CCCCC2)c2cccnc21 1772634695 RRXGZDKQJBQRAK-UDWIEESQSA-N 351.538 5.715 0 1 FKAF CC(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC(C)=CC(=O)O)[C@@H]2CCC=C(C)[C@@]21C 2356555518 YAIZAZKACAHJDU-PYDYAWQMSA-N 362.510 5.138 0 1 FKAF CC(=CCCc1ccoc1)CCC=C(C)CC[C@H](O)[C@]1(C)CCC(=O)O1 2356725295 CQHXGGUREVDGGK-UNMCSNQZSA-N 360.494 5.122 0 1 FKAF O=C1[C@@H]2[C@H](c3ccccc3)CC=C[C@H]2[C@H](c2ccoc2)N1Cc1ccccc1 103751401 KSYOIXDDZBOZLY-KEZOAJOQSA-N 369.464 5.339 0 3 FKAF CN(Cc1ccc(Oc2ccccc2)cc1)Cc1cccc2ccccc12 6437565 QVRXMYBXVCPOGT-UHFFFAOYSA-N 353.465 6.264 0 1 FKAF CCCC[C@H]1Oc2cc(F)ccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 26995165 KTYXHEXVPYONGV-LJQANCHMSA-N 351.465 6.724 0 1 FKAF NCc1ccc2[nH]c([C@@H](Cc3ccccc3F)c3ccccc3F)cc2c1 28764022 YDOSEXITXNCPET-IBGZPJMESA-N 362.423 5.279 0 1 FKAF O=C1C[C@H](c2ccccc2)c2c(ccc3cc(Br)ccc23)N1 29135397 NLRNGKTYUCXTPF-MRXNPFEDSA-N 352.231 5.076 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3 33820873 JBGPYYPQEKGCOJ-OYPZIYCASA-N 374.565 5.571 0 1 FKAF CC[C@@]1(c2cccc(Br)c2)ON=C(c2cccc(Cl)c2)O1 40423164 FTOLXOIOWVJQIX-INIZCTEOSA-N 366.642 5.074 0 1 FKAF Oc1cccc2nc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)[nH]c12 73198978 XIPDCSBEYWKTRL-UHFFFAOYSA-N 362.432 6.270 0 1 FKAF CCCCC[C@H](C)SC[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100999281 JPUVEYMMQIVSGF-LVWHWVHZSA-N 368.583 5.683 0 1 FKAF CCOC(=O)/C(=C\Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 101682234 NCODCHMMORQKHV-UVTDQMKNSA-N 370.663 5.663 0 1 FKAF Clc1ccc([C@H](NCc2ccccc2)c2ccc(-c3cn[nH]c3)cc2)cc1 103265796 FSVQYXOQASTJRX-HSZRJFAPSA-N 373.887 5.609 0 1 FKAF Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 103676280 DDNLWSPBFXTFBP-LJQANCHMSA-N 371.440 5.100 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccccc2)C[C@@H](c2ccccc2)C1 103919106 QKLLXZDEIMQZJW-KBMIEXCESA-N 366.464 6.316 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC[C@H](C)CC(=O)O 143712692 ODMPTSNPVHBMBA-ZTWRLTPTSA-N 374.609 8.023 0 1 FKAF COc1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2cccc(C)c2)c1 218322225 BURLJPOUNMYXJA-QHCPKHFHSA-N 370.452 5.521 0 1 FKAF O=C1CCCCCCCCCCCCCCCCCCCCCCOC1 238779881 JYPMZAXWYXRUHM-UHFFFAOYSA-N 366.630 7.778 0 1 FKAF OCc1ccccc1-c1cccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 586895183 SPYYVFBFSREOEV-UHFFFAOYSA-N 370.239 5.091 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Cl)nc(Cl)c2[nH]1 587062911 YDHPGHNFOIIIPD-SNVBAGLBSA-N 356.640 5.448 0 1 FKAF Nc1ccnc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc12 587082023 DGKMXGCAELJTPS-UHFFFAOYSA-N 371.831 5.076 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1[nH]c3ccccc3c1C4)-c1ccccc1C2=O 587098061 UIKWSWIWSIAQHA-UHFFFAOYSA-N 372.427 5.807 0 1 FKAF O=C1c2ccccc2-c2cc(CCc3c[nH]c4ccccc34)nc3cccc1c23 587107263 QHWWYBRVXGIVSZ-UHFFFAOYSA-N 374.443 5.713 0 1 FKAF Cc1c(F)cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1F 587133450 XKSOWGFAEWHIMO-UHFFFAOYSA-N 362.685 5.369 0 1 FKAF Fc1cc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2cc1Br 587149741 ANFMJHFSFIHBEJ-IUCAKERBSA-N 367.168 5.014 0 1 FKAF COc1cccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c12 587241633 ZSFFGZLWBFORCO-UHFFFAOYSA-N 358.445 5.181 0 1 FKAF Nc1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c2ccccc2c1 587251681 LHDQUJYHYQLJGQ-UHFFFAOYSA-N 365.436 5.544 0 1 FKAF O=C(c1cccc(OCc2ccccc2)c1)c1coc2ccc(Cl)cc12 587278421 MQBWLYSDZKAEGS-UHFFFAOYSA-N 362.812 5.896 0 1 FKAF COc1cccc(-c2cc(C[C@@H]3CCCCN3)nc3c2oc2ccccc23)c1 587362468 HXQZUOMWGSDTSZ-KRWDZBQOSA-N 372.468 5.341 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(F)cc3)s1)O2 587384034 JFFQZABFKXEMOM-QGZVFWFLSA-N 353.418 5.151 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccccc1C(C)C)O2 587389107 FFTKIFCVTWFKPA-JOCHJYFZSA-N 360.457 5.198 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ncc(-c3ccccc3)s1)CC2=O 587493385 FMQXOXWDSZCWPU-SFHVURJKSA-N 365.454 5.175 0 1 FKAF O=C1C[C@@]2(CC[C@@H](c3ccc(F)cc3)C2)Oc2c1ccc1c2CCCC1 587504284 GXFUDROOJQUQEM-HXOBKFHXSA-N 350.433 5.376 0 1 FKAF CCCOc1cccc(Cc2nc3ccc(Br)c(C)c3[nH]2)c1 587569202 PMBBRYJHYWOHRS-UHFFFAOYSA-N 359.267 5.013 0 1 FKAF CC/C=C/CCCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602023 IDGWJLGVRRKMTM-AWJROHARSA-N 366.457 5.639 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c([C@H]3CCCN3C(=O)OC(C)(C)C)c2c1 587640967 CXTRPTYSZVKZEJ-AUUYWEPGSA-N 356.510 6.062 0 1 FKAF COc1cccc(OCc2ccc(-c3nc4c(F)c(F)ccc4[nH]3)cc2)c1 587780422 AGJGELAGUMHUEW-UHFFFAOYSA-N 366.367 5.096 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2C(C(C)(C)C)(C(C)(C)C)N1 587812407 QPGQBGRPRKWKEP-NSHDSACASA-N 356.323 5.410 0 1 FKAF C[C@H]1CC(C)(C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822661 LUMODXDHFOJYSD-VNBZBWLYSA-N 354.307 5.164 0 1 FKAF CCCCc1ccc2nc(-n3nc4cc3Oc3ccc(F)cc3-4)sc2c1 587876441 OJUQAFYAVMVDSH-UHFFFAOYSA-N 365.433 5.736 0 1 FKAF COc1cccc([C@@H](C)Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587930512 JDWJGGWILRMVNE-JTQLQIEISA-N 368.786 5.590 0 1 FKAF Cc1cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2cc1Br 587950490 CBBBPLCBEPELFL-UHFFFAOYSA-N 357.251 5.232 0 1 FKAF Cc1ccc(C[C@@]2(C(F)(F)F)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963102979 TYUARDWNKRVSBI-PXNSSMCTSA-N 363.398 5.155 0 1 FKAF FC(F)(F)c1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1 1772609580 UWGVYQUSHANHTB-UHFFFAOYSA-N 373.403 5.694 0 1 FKAF Cc1ccc2c([C@@H](CC(F)(F)F)c3ccco3)c(-c3ccccc3)[nH]c2c1 1857550065 RTAXHKHEIQOXFJ-KRWDZBQOSA-N 369.386 6.821 0 1 FKAF Oc1ccc([C@@H]2CC(c3cc4ccccc4o3)=Nc3ccccc3S2)cc1 1857638719 XLWWQBIHOZHJAM-QHCPKHFHSA-N 371.461 6.496 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@@H]1CC3 2356392238 VJUBACISBRYKMB-BWTLZUKQSA-N 370.621 6.919 0 1 FKAF CC(C)=C[C@H]1C[C@@](C)(C=Cc2cccc3cc[nH]c23)c2cc3[nH]ccc3cc21 2356448816 PUOYSRIYVHOQQB-HFZDXXHNSA-N 366.508 7.074 0 1 FKAF CC(=O)OCC[C@]1(C)CC[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)O1 2356684632 VPMIZQQBIXRMPF-UMBQZNGKSA-N 350.543 5.510 0 1 FKAF CC[P@](=O)(OC)c1ccc2nc(-c3ccc(F)cc3C(F)F)oc2c1 2382259994 CYXSRULTMQSCOR-VWLOTQADSA-N 369.279 5.141 0 1 FKAF Cc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2ccsc2n1 584761 IJWMABWJZIUTFU-UHFFFAOYSA-N 364.449 5.650 0 1 FKAF C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43CCSCF)[C@@H]1CCC2=O 14947088 PHQXDOFMEVPXKC-SQBLYHGDSA-N 362.510 5.038 0 1 FKAF COc1ccc2c(c1)[C@H](SCCN1CCCCC1)c1ccccc1O2 25969798 KJLFMKXDSQIKLX-OAQYLSRUSA-N 355.503 5.109 0 1 FKAF CCC/C=C\CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 26577268 QOMROHNKTZWVKQ-WAYWQWQTSA-N 361.526 5.494 0 1 FKAF CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3NO)cc2)cc1 38149550 RLEAUROACDNWHS-UHFFFAOYSA-N 361.445 5.100 0 1 FKAF CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)ssc2=S)cc1 40900845 BGIQYKQEVPQNNH-UHFFFAOYSA-N 364.538 5.277 0 1 FKAF CCCCO[C@@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1ccnc1 45358367 ILUASSXYQOEHHS-ZWKOTPCHSA-N 366.958 6.125 0 1 FKAF CCn1ccc2cc(-c3ccc4oc(Nc5ccccc5)nc4c3)ccc21 68205240 ISUJNJHQIOHFBL-UHFFFAOYSA-N 353.425 6.213 0 1 FKAF CCCCCn1cc(C(=O)c2ccccc2-c2ccccc2)c2ccccc21 72118397 MQCJOLBKKYPKTB-UHFFFAOYSA-N 367.492 6.730 0 1 FKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OC(CC)CC)cc2)n1 72186393 FGMLDNMOQNICMB-KRWDZBQOSA-N 358.526 5.967 0 1 FKAF CC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C1CCCCC1 84653165 SMOLYTXWOZSLMG-UHFFFAOYSA-N 352.865 6.065 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1cccc2ccc(=O)oc12 84740364 PBXGBTJEFPNUPA-QZAMUAOBSA-N 366.501 6.591 0 1 FKAF Nc1nccn2c(-c3ccco3)nc(-c3ccc(Oc4ccccc4)cc3)c12 96168188 ZMDWXUJCYIHNGU-UHFFFAOYSA-N 368.396 5.031 0 1 FKAF c1ccc(-c2noc3ccc(OCc4ccc5ccccc5n4)cc23)cc1 103247862 UAPHHOAEZHJDCF-UHFFFAOYSA-N 352.393 5.622 0 1 FKAF Fc1ccc([C@H]2C[C@H]3CC[C@@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1 169335823 LSHLQBBAJNMIOH-YHBROIRLSA-N 365.473 6.016 0 1 FKAF Clc1cccc(/C(=C\[C@@H]2CCCN3CCCC[C@H]23)c2ccccc2)c1 299839344 XYIUECSAMDJVLK-OPDMPJMWSA-N 351.921 6.036 0 1 FKAF Cc1nnc(Nc2ccc3c(ccn3-c3ccccc3)c2)c2ccccc12 473100670 JLGZRCDWRUNQMH-UHFFFAOYSA-N 350.425 5.626 0 1 FKAF Clc1cc(Br)c2nc(-c3ccc(C4CCC4)cc3)[nH]c2c1 586880579 MTHUVQRSGPMPAC-UHFFFAOYSA-N 361.670 5.913 0 1 FKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc3c(c2[nH]1)CCCC3 587164185 XUKJZWRQQUQLIE-UHFFFAOYSA-N 370.427 5.479 0 1 FKAF COc1cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2cc1Cl 587165819 LCYYSSYGTQAVCG-UHFFFAOYSA-N 369.827 5.345 0 1 FKAF COc1ccc(NC(C)(C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587201802 VKIIKKFUDMQCMR-UHFFFAOYSA-N 350.249 5.226 0 1 FKAF Cc1ccc(O)c(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)c1 587208014 ZZPUHJNGXCRHFS-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF Cc1cc2c(cc1-c1cc3c4c(cccc4n1)CC3)C(C)(C)[C@H](C)C2(C)C 587214808 ZEENHSIGRKNSGC-MRXNPFEDSA-N 355.525 6.514 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(CC[C@H]1C(C)=CCCC1(C)C)[C@@H](C2)C3=O 587446257 VNRXAKVXGLHITG-IUKKYPGJSA-N 354.490 5.364 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CCCC(C)C)(c1ccccc1)CC2=O 587488752 LWYJSZSKGVFSJU-XMMPIXPASA-N 366.501 6.032 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccc(C)o3)s1)CC2=O 587492657 BFYIDJHNTPBAQA-KRWDZBQOSA-N 369.442 5.076 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCCC3)s1)CC2=O 587496439 XSZNVGGHZXOUMK-SFHVURJKSA-N 371.502 5.103 0 1 FKAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)cc1C 587628511 MVNCKAROTBOVQJ-UHFFFAOYSA-N 369.745 5.827 0 1 FKAF Fc1cc2c(C(F)(F)F)c(-c3c[nH]c4ccccc34)[nH]c2cc1Cl 587629751 GFDRDBKBDNISSG-UHFFFAOYSA-N 352.718 6.128 0 1 FKAF O=C(O)CCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc(F)c12 587632675 HCWYEHBTPJKBQC-UHFFFAOYSA-N 352.192 5.298 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cc(OC)c(F)cc3[nH]2)c1 587780382 RIHSCAMTQSGJJX-UHFFFAOYSA-N 362.404 5.443 0 1 FKAF CC(C)=CCC[C@H](C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821035 SGQDUTVRMGLZHB-LXIYXOSZSA-N 354.307 5.546 0 1 FKAF COc1ccc(C2(c3nc4cnc5ccccc5c4[nH]3)CC3(CCC3)C2)cc1 587936678 YFIYVNPAADSRQF-UHFFFAOYSA-N 369.468 5.370 0 1 FKAF COc1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 587956818 BOBCKVXUGOLYCS-UHFFFAOYSA-N 360.498 5.490 0 1 FKAF Cc1cccnc1-c1ccc2c(c1)CC[C@H](C)[C@H]2C(=O)c1ccc(O)cc1O 653633710 PNMORMAFEGBQRP-RCDICMHDSA-N 373.452 5.017 0 1 FKAF CCOC(=O)[C@@H](CC(C)(C)C)[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962667683 PJSXYINKVDMZBV-FCHUYYIVSA-N 365.517 5.156 0 1 FKAF CCc1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(C)c34)cc2)c1 1772600128 MDFHFYALOAZVKP-UHFFFAOYSA-N 371.444 5.140 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C)CCC[C@](C)(O)[C@@H]2[C@@H]1OC(=O)C=Cc1ccccc1 2356451259 YPCMOCVARABHRT-QJRASEFVSA-N 370.533 5.235 0 1 FKAF CCC=CCC=CCC=CCC=CCC[C@H](OC(C)=O)[C@@H](C)NC(C)=O 2356685837 HQDNKZPSRKEKML-KNQAVFIVSA-N 361.526 5.028 0 1 FKAF COc1ccc([C@H]2[C@H](CCCc3ccccc3)C(=O)N2c2ccccc2)cc1 606311 NCYJLENYYMZQHU-ZEQRLZLVSA-N 371.480 5.422 0 1 FKAF CC(C)[C@H](C)NC(=O)c1c(C(C)(C)C)noc1-c1cccc2ccccc12 2483720 RWYCMWYTFWVEFH-HNNXBMFYSA-N 364.489 5.567 0 1 FKAF COc1ccc([C@H](Cc2ccncc2)c2ccoc2)cc1OC1CCCC1 13441999 VXEVYFDHTGJVMR-NRFANRHFSA-N 363.457 5.379 0 1 FKAF CC(C)c1c(Cl)cc2c(c1Cl)CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]21C 14411006 RKQWIQSTFSBVMQ-BEVDRBHNSA-N 369.332 6.212 0 1 FKAF biogenic CCOC(=O)c1ccc(/C=C(C)/C=C/C2=C(C)CCCC2(C)C)c(F)c1 28756521 GNBGMTGABWNHBC-KDKDSYKCSA-N 356.481 6.489 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCCC 38146678 UFBCBSNKWKPSRJ-LUDVVXGUSA-N 359.598 7.048 0 1 FKAF CCCCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 40891823 CDQFRJZKDWMEDO-UHFFFAOYSA-N 371.550 5.138 0 1 FKAF Cc1ccc(C(c2c[nH]c3ccc(F)cc23)c2c[nH]c3ccc(F)cc23)cc1 45291643 SDHNORLJWGHVPA-UHFFFAOYSA-N 372.418 6.416 0 1 FKAF Cc1ccc(-c2nocc2-c2cc(-c3ccccc3)sc2C(=O)O)cc1 58603517 BCEVAYMTEHQZSW-UHFFFAOYSA-N 361.422 5.744 0 1 FKAF C[C@@H]1C[C@@H](Nc2cncc(Oc3cccc4cccnc34)n2)CC(C)(C)C1 82068850 CYQXDVWAQVZYCP-NVXWUHKLSA-N 362.477 5.444 0 1 FKAF CC(=O)C[C@H](C)c1ccc(OC2CN(c3ccc(C(C)(C)C)cc3)C2)cc1 96172823 CQBIZGAQQGSYRP-KRWDZBQOSA-N 365.517 5.334 0 1 FKAF CCCCn1cc(C(=O)Cc2cccc3ccccc23)c2cccc(O)c21 96905999 ORZAHPFPHCLAHP-UHFFFAOYSA-N 357.453 5.726 0 1 FKAF O=C(O)c1ccncc1NC[C@H]1CCCc2cc(Oc3ccccc3)ccc21 221405276 RUIDTLFWDJICDV-QGZVFWFLSA-N 374.440 5.104 0 1 FKAF Cc1cc(Cl)cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016276 TZKCSWJSDUGGJA-UHFFFAOYSA-N 360.269 5.969 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Cl)cc(C)c2[nH]1 587044477 CZHLAEYIGLNGEG-UHFFFAOYSA-N 371.651 5.516 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cnncc2[nH]1 587070517 HLRREGMVHCPGQW-XMXILSIWSA-N 359.260 5.026 0 1 FKAF Cn1c2ccc(Cl)cc2c2cc(-c3cc4c5c(cccc5n3)CC4)ccc21 587208877 CYUQDWFOFIOGJM-UHFFFAOYSA-N 368.867 6.299 0 1 FKAF COc1cccc(-c2c(CCCN(C)C)c(C)nc3c2oc2ccccc23)c1 587360164 JSCXOLNSMHEDMC-UHFFFAOYSA-N 374.484 5.459 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(C)(C)c1c[nH]c3ccccc13)O2 587395991 HWVMBKBVYQXINR-HSZRJFAPSA-N 362.473 5.150 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)c(Cl)c1)CC2=O 587463524 YEZKYPNUWWUQRW-IBGZPJMESA-N 360.837 5.103 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1c1ccc(C)cc1)CC2=O 587481668 NHQMIAVRGRTHAV-WMZHIEFXSA-N 350.458 5.325 0 1 FKAF Cc1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587548008 OQYKMTVVPIREAK-RXVVDRJESA-N 366.800 5.057 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(Br)c(F)c1 587629423 PKJKRVCQQFVHOM-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(CCC(=O)O)c2c1 587642670 UIPZLTKEXURCGK-ZDUSSCGKSA-N 355.865 6.019 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2Cl)N1 587728430 SCFQHCAZJHVXHR-VPTHRUTESA-N 372.640 5.004 0 1 FKAF Cc1ccc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587802509 MGABJEJYDBWIRZ-WLRWDXFRSA-N 373.269 5.002 0 1 FKAF CC(C)=CC1(C=C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814904 JCWKLQKNSGHZOE-CYBMUJFWSA-N 352.291 5.250 0 1 FKAF Brc1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2n1 587969126 QQAJVWWJSMTHKZ-DHZHZOJOSA-N 350.219 5.044 0 1 FKAF C/C=C/c1ccc(Nc2ncnc3ccc(-c4ccc(CO)o4)cc23)cc1 1772578391 KZVGISFXKBEDBH-NSCUHMNNSA-N 357.413 5.159 0 1 FKAF COc1ccc(-c2c(Nc3ccc(C)cc3)c3ccc(O)cc3oc2=O)cc1 1772616842 NAFXKEZBQYEKCX-UHFFFAOYSA-N 373.408 5.226 0 1 FKAF CO[C@@H](C1CCCCC1)[C@H](C)C=CCC(=O)OCCCc1ccccc1 1857623337 WFDPQRQYLWKFNQ-AUSIDOKSSA-N 358.522 5.340 0 1 FKAF Cc1ccccc1-c1c([C@H](OC(C)(C)C)C(=O)O)c(C)nc2ccccc12 1857654798 PZZKUMAYWLWVSB-NRFANRHFSA-N 363.457 5.459 0 1 FKAF C[C@H]1C[C@@H](C)C[C@]2(C)[C@H]1c1c(O)ncc(-c3ccc(O)cc3)c1O[C@@H]2C 2356874312 YUVRNJMVVICARN-UZWVWVCPSA-N 353.462 5.097 0 1 FKAF CCCCC/C=C\C/C=C\CCCCCCCCN[C@H](C)c1ccccc1 2382226045 YNNIKBJGDUHFBQ-JAVPUQFISA-N 369.637 8.151 0 1 FKAF COc1cccc(CNc2ccc3ncnc(Nc4ccc(F)cc4)c3c2)c1 2382227846 MARZVOJPAQTGPT-UHFFFAOYSA-N 374.419 5.133 0 1 FKAF CC(C)[C@@H](C)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(F)cc1Cl 776206 XOKQAMTWHBNPHD-LLVKDONJSA-N 366.864 5.206 0 1 FKAF CSc1nnc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 13826661 XYDNKMMWPPZSKC-CMDGGOBGSA-N 362.564 5.731 0 1 FKAF CC[C@@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26386642 DAXMFHJYAYLAJM-QARZRZBBSA-N 373.581 5.081 0 1 FKAF COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1 28523456 BRQGSKIIBQXZSA-UHFFFAOYSA-N 360.244 5.390 0 1 FKAF CCOC(=O)C1=C(C)Nc2ccccc2S[C@H]1c1ccccc1Cl 43020605 YAJDXFSCFGRYET-SFHVURJKSA-N 359.878 5.436 0 1 FKAF COc1ccc2[nH]c(C)c(-c3ccnc(Nc4ccc(Cl)cc4)n3)c2c1 72141441 NIARUGPUHUTYPQ-UHFFFAOYSA-N 364.836 5.339 0 1 FKAF FC(F)(F)c1cccc(-c2nc3c(NCc4ccccc4)nccc3[nH]2)c1 82082138 KTOKKNYKOADCEG-UHFFFAOYSA-N 368.362 5.256 0 1 FKAF CCc1cc(C(SCCN)(c2ccccc2)c2ccccc2)ccc1C 95582572 BWKUTWAESKKHIC-UHFFFAOYSA-N 361.554 5.541 0 1 FKAF Cc1c(C=O)oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12 96933634 AONOMLNGJIWMIA-UHFFFAOYSA-N 372.420 5.712 0 1 FKAF CC/C=C/CCSC[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100666285 YDJGESKTURUXSO-QTCNPLHKSA-N 352.540 5.071 0 1 FKAF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118931711 BESWZNZZPZNJEO-GLRRTJSDSA-N 358.566 6.312 0 1 FKAF biogenic CCCN(CCC)c1cccc2nc(Nc3c(C)cc(C)cc3C)n(C)c12 136479726 AROLCVGOMJTDQA-UHFFFAOYSA-N 364.537 5.869 0 1 FKAF CCCC[C@@](C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O 169321117 VSSXHHCZDNVHRM-OAQYLSRUSA-N 366.567 6.113 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(OCCN(C)C)cc2[nH]1 586878155 CZTLKIVNNGYOIX-UHFFFAOYSA-N 371.484 5.146 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)cc1 586881520 XOGFHZLLEMWZQS-UHFFFAOYSA-N 365.795 5.287 0 1 FKAF CC(C)(C)[C@@H]1CCc2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O 586989602 CJYNCAKQMPXXBS-AWEZNQCLSA-N 371.480 5.693 0 1 FKAF CCc1cc(OCc2nc3cc(Cl)c(Cl)nc3[nH]2)ccc1Cl 587053023 YVRJPXCQCLLBAJ-UHFFFAOYSA-N 356.640 5.060 0 1 FKAF Cc1cnc2[nH]c([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 587068565 BBIFHRITOLEEBQ-LBRHBIIVSA-N 372.299 5.939 0 1 FKAF Cc1ccnc2[nH]c([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587068583 BHKDQJDHNNEUNB-AMKQFNALSA-N 372.299 5.939 0 1 FKAF CC(C)(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccc1 587206970 PTJYOOXTOKVMIA-UHFFFAOYSA-N 363.460 5.967 0 1 FKAF Fc1cc(Cl)c(Br)cc1-c1cc2c3c(cccc3n1)CC2 587210320 OFQRROSHPHDNTC-UHFFFAOYSA-N 362.629 5.555 0 1 FKAF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1cc2c3c(cccc3n1)CC2 587211013 JTQHXUUAZRBURS-FQEVSTJZSA-N 374.484 5.142 0 1 FKAF C[C@H]1CCC[C@@H](C)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349762 GWCAFXWPKFWWAG-INEOQGJTSA-N 354.421 5.085 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cccc1Oc1ccccc1)O2 587381324 HBYNSAAYQVYYHQ-HXUWFJFHSA-N 363.388 5.215 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cccc(Cl)c31)CC2=O 587461606 NOJFAUKZLOYJGB-NRFANRHFSA-N 356.849 5.195 0 1 FKAF CCCCC[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812800 KTGBQIMDLNWZPU-BFUOFWGJSA-N 370.350 5.944 0 1 FKAF Cc1ccc(C2CC3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 587816595 AVLSMNBOCUSJSF-CETSPDHXSA-N 374.297 5.204 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCCCCCC2)N1 587824650 YEILQUWLEHFSSI-KZULUSFZSA-N 354.307 5.524 0 1 FKAF CCCC[C@@H](CC)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862728 WYDXVJNYIWPMCM-CYBMUJFWSA-N 368.399 5.434 0 1 FKAF C[C@@H]1CCc2ccccc2[C@@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962701216 JRELPNBGTMWTSE-JTUHZDRVSA-N 367.533 5.015 0 1 FKAF CCC(CC)[C@@]1(Cc2ccccn2)c2c(F)cccc2C[C@H]2CCCN21 963106167 QVNHVUUFGBIEOV-OFNKIYASSA-N 352.497 5.115 0 1 FKAF CC(C)[C@]1(CSc2ccccc2)NCCc2c(Cl)cc(Cl)cc21 963127251 ZZTOEIWMSVJGLY-IBGZPJMESA-N 366.357 5.783 0 1 FKAF Cc1c(-c2ccc(-c3cccnc3F)cc2)nc2ccccc2c1C(=O)O 1857641522 PAHDTYXJIXBUQQ-UHFFFAOYSA-N 358.372 5.110 0 1 FKAF Cc1ccc(O)c(Cc2nc3ccccc3nc2-c2cccc(Cl)c2)c1 1662703 ORBIYVQLNXNTSJ-UHFFFAOYSA-N 360.844 5.555 0 1 FKAF Cc1ccc(Sc2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1 3658314 ZAFWENPXFIWAAP-UHFFFAOYSA-N 374.465 5.217 0 1 FKAF CSc1ccc2c(C)nc(CCCCCCC(=O)c3ccccc3)n2n1 5891725 PBRBZDQDZCRJQB-UHFFFAOYSA-N 367.518 5.136 0 1 FKAF COc1c2c(cc3c1[C@@H](OC)C[C@H](c1ccccc1)O3)OC(C)(C)C=C2 14885789 GFVVFOVUYZBZJA-AEFFLSMTSA-N 352.430 5.091 0 1 FKAF biogenic COc1ccccc1C(=O)c1oc2cc(-c3ccccc3)cc(O)c2c1C 27080486 BLWAQAUOOUPVKY-UHFFFAOYSA-N 358.393 5.353 0 1 FKAF Nc1c(C(=O)c2ccc(F)cc2F)sc2nc(-c3cccs3)ccc12 27088887 BHRUVOLNMCWFBW-UHFFFAOYSA-N 372.421 5.116 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)OC/C=C/c1ccccc1 28002394 JMDUEXMNHJFCKD-YIFANPNMSA-N 352.518 6.662 0 1 FKAF CCC[C@@]1(C(=O)O)CCCc2c1[nH]c1c(Cl)ccc(C(F)(F)F)c21 35966464 UJIFIPSJPHVBSG-MRXNPFEDSA-N 359.775 5.299 0 1 FKAF CCSc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1CC 40505752 KRRLHDNIOOIIBY-UHFFFAOYSA-N 368.502 5.366 0 1 FKAF Oc1cccc(Nc2ccnc3cc(-c4cc5ccccc5o4)ccc23)c1 45201802 ZCNLZEITJWQHKC-UHFFFAOYSA-N 352.393 6.097 0 1 FKAF CC(C)=CCC(=O)[C@@H](C)CCc1cc(C(=O)O)cc(CC=C(C)C)c1O 49181028 CLWPXUNAYCAYEA-INIZCTEOSA-N 358.478 5.093 0 1 FKAF biogenic CCCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3)cc2)c1 63298336 VAMDLIMJLAPZGX-QGZVFWFLSA-N 360.457 5.028 0 1 FKAF Fc1ccc(Oc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 72179278 PEGUQPIDQWFMIK-UHFFFAOYSA-N 357.599 5.388 0 1 FKAF CCCCc1ccc(-c2cc(NC3CCC(C(C)(C)C)CC3)ncn2)cc1 82162091 OINDHAZVJCDHKA-UHFFFAOYSA-N 365.565 6.503 0 1 FKAF Clc1ccc(Oc2nc(-c3c(Cl)cccc3Cl)cs2)cc1 103276368 YXUNUIZVIMKCBH-UHFFFAOYSA-N 356.661 6.563 0 1 FKAF O=C(O)c1cc(F)cc2[nH]c(-c3c(F)cc(-c4ccccc4)cc3F)nc12 113981874 LEIZIPNTVLITST-UHFFFAOYSA-N 368.314 5.012 0 1 FKAF CC(C)Oc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144442087 UQAWIRVDQFEQED-UHFFFAOYSA-N 364.420 5.177 0 1 FKAF CC/C=C\C/C=C\C/C=C\C=C/C/C=C/C/C=C\CCC(=O)NCC(=O)O 169345098 YBZWGRQEULPTCZ-QFFBTGJJSA-N 371.521 5.275 0 1 FKAF Cc1ccc(C(=O)c2cc(O)c(-c3cc(Cl)cc(Cl)c3)c(O)c2)cc1 473090712 ADRQNADVLXKXGU-UHFFFAOYSA-N 373.235 5.611 0 1 FKAF FC(F)(F)c1cc2nc(CCc3cc4ccccc4o3)[nH]c2cc1Cl 586903819 OYRBBZOLRHVKQI-UHFFFAOYSA-N 364.754 5.767 0 1 FKAF CC/C=C\CC1=C(C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992179 YPBRSUPPGFDLEP-PLNGDYQASA-N 367.448 5.838 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccccc3C3CC3)nc3ccc(O)c1c23 586992350 VVZBKFKUPBQAEN-UHFFFAOYSA-N 363.416 5.696 0 1 FKAF COc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587048030 FNIPUAOBXYBMAY-IUCAKERBSA-N 367.663 5.803 0 1 FKAF Cc1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2n1 587082208 IKXMICAFCWEZMC-UHFFFAOYSA-N 370.843 5.802 0 1 FKAF CC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587094619 FIIASMUJXJVNOM-UHFFFAOYSA-N 372.268 5.470 0 1 FKAF Fc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1F 587125455 QOLJLLLVXSXLNI-UTCJRWHESA-N 356.319 5.623 0 1 FKAF COc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1F 587164504 SOMBAFFHNLWVBW-NTEUORMPSA-N 368.408 5.500 0 1 FKAF O=C(Oc1ccccc1-c1cc2c3c(cccc3n1)CC2)c1ccccc1 587214619 UATUGOSBLLPVLM-UHFFFAOYSA-N 351.405 5.220 0 1 FKAF CC(C)CC1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353013 KTQQOXMQQHKDIF-NRFANRHFSA-N 370.464 5.721 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1C1CCCCC1)CC2=O 587479458 IHDKIRJMHWFLFB-XXBNENTESA-N 356.506 5.819 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c1oc1ccccc13)CC2=O 587485270 UUWPYRYYPRULMK-QFIPXVFZSA-N 372.420 5.951 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(SC(C)C)cc1)CC2=O 587493541 RVNSEPBZVJLTGZ-JOCHJYFZSA-N 370.514 5.726 0 1 FKAF CC(C)(C)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500954 FDEPFUSNOKUQIC-HSZRJFAPSA-N 352.449 5.611 0 1 FKAF CSc1scc2c1[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587532057 OKTCFSFJZCDCAN-NRFANRHFSA-N 370.539 5.546 0 1 FKAF CCCCCC[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587812640 KCIVMPXVTXPHPY-ACJLOTCBSA-N 356.323 5.698 0 1 FKAF Cc1ccc(-c2csc(-c3ccc(Br)cc3F)n2)cc1C 587921435 YMAJRQAWXKHAFE-UHFFFAOYSA-N 362.267 5.996 0 1 FKAF CCCc1nc(-c2ccccc2)[nH]c1CN[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C 653792988 XPBMESTYCKDASL-MJKGWSOKSA-N 351.538 5.190 0 1 FKAF COc1ccc2c(c1OC)[C@H]([C@@H](CC(C)C)c1ccccc1)N(C)[C@@H](C)C2 962616761 AODUIBNRHSWRTN-NYDSKATKSA-N 367.533 5.451 0 1 FKAF Fc1cccc2c1[C@@H](c1ccc(C(F)(F)F)c(Cl)c1)N1CCC[C@@H]1C2 963106783 NKBHIIYTXWSBCC-FZKQIMNGSA-N 369.789 5.608 0 1 FKAF COc1c(C)cc(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)cc1C 1772584967 KIQBTQUUMDDEIZ-GOSISDBHSA-N 367.470 5.042 0 1 FKAF CC(C)c1cc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n[nH]1 1857540948 ZMXUAPAMEVOJLW-UHFFFAOYSA-N 354.841 5.498 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(F)c3)nc3c2Cc2c(O)cccc2-3)c1 1857593059 LTFVXLGPXRAHAY-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CCCCCc1ccc(-c2cn(CCCOCc3ccccc3)nn2)cc1 15935169 YWRRDEYOZAJMIB-UHFFFAOYSA-N 363.505 5.285 0 3 FKAF CC(C)CCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774894 IVOSGTACGPVUPA-UHFFFAOYSA-N 374.893 5.499 0 1 FKAF CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c1ccccc1)c1cccc(Cl)c1 5978993 YTWKGFXEBNXNJP-UNWVZKJWSA-N 369.936 6.418 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)C3=CC[C@@]21C 33820764 FHWJRVFVJIUARH-JTRWTHHWSA-N 358.566 6.456 0 1 FKAF CCCCCCCCCCCCCCCCCCCC[C@H](OC)C(=O)O 85845618 WPWAEVSBFNBQSU-QFIPXVFZSA-N 370.618 7.518 0 1 FKAF biogenic CN(CCCCCCN1CCC(c2ccccc2)CC1)c1cccc(O)c1 169326014 DOYNNPHTWZNFPM-UHFFFAOYSA-N 366.549 5.268 0 1 FKAF COc1cc(N[C@H](C)CCCN)c2nccc(CCC3CCCCC3)c2c1 169326500 LXMVIIVTFTVQHB-QGZVFWFLSA-N 369.553 5.296 0 1 FKAF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1F)[C@H]1C(=O)CC(C)(C)CC1=N2 169722128 OTMUTOPOXJKLLB-NHCUHLMSSA-N 368.427 5.518 0 1 FKAF C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1 204750808 YLKDCSFIEDEUOJ-DYVFJYSZSA-N 366.852 5.293 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(F)ccc1CC3 586987265 CHZTXTVBQIQWOF-UHFFFAOYSA-N 367.379 5.057 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)cc2C1 587033189 GWFANOPUXKFHNH-MRVPVSSYSA-N 370.827 6.088 0 1 FKAF CCC[C@H](C)OC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098535 ZJNYUEWUQBCQBV-HNNXBMFYSA-N 373.452 5.029 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(F)c(F)c3[nH]2)c1 587237973 AOFMHRNRLNLBEL-UHFFFAOYSA-N 364.399 5.451 0 1 FKAF Cc1onc(-c2ccccc2Cl)c1C(=O)c1coc2ccc(Cl)cc12 587277798 CQYWEGDLISHTLV-UHFFFAOYSA-N 372.207 5.934 0 1 FKAF Cc1cc(Cl)cc(Cl)c1OCC(=O)c1coc2ccc(Cl)cc12 587279102 VWKCJYDBFCRKIY-UHFFFAOYSA-N 369.631 5.963 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3C)cc1)CC2=O 587478710 HHQOWQRUBFHJRX-DEOSSOPVSA-N 372.464 6.027 0 1 FKAF CC(C)(C)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500957 FDEPFUSNOKUQIC-QHCPKHFHSA-N 352.449 5.611 0 1 FKAF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c2ccccc12 587802839 NXIXLJJEFOKYGI-APBUJDDRSA-N 373.269 5.002 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Cl)cc1C 587861586 VFDREKNGVVEGIH-UHFFFAOYSA-N 366.770 5.529 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 587960296 YOKWUYXEOGQPPK-UHFFFAOYSA-N 367.374 5.543 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccccc2)(C2CCCCC2)N1 962957259 OFSVCTVCLJZEDB-LVXARBLLSA-N 372.556 6.111 0 1 FKAF C[C@]1([C@@H]2C[C@H]2c2c(F)cccc2Cl)c2c(F)cccc2C[C@H]2CCCN21 963108624 PGBICGQTFFVQQX-NXLNFEJXSA-N 373.874 5.658 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](NCc3ccc(O)cc3)CCC[C@@]21C 1857616014 BGLMVOJTEFCBHT-UTHIKGHZSA-N 371.609 6.529 0 1 FKAF COC(=O)C[C@@H](C)CCCC(C)=CCCc1coc(Cc2ccco2)c1 2356689506 LLSOQDIXKJXJRD-SFHVURJKSA-N 358.478 5.712 0 1 FKAF CC(C)(C)Cc1c(-c2ccc(F)cc2)nc2ccc(Br)cn12 61921023 ALDYXNMNNDAVSM-UHFFFAOYSA-N 361.258 5.492 0 3 FKAF Cc1ccccc1N1CCc2c1nc1c(C)cccc1c2Nc1ccccc1 13454998 PMRUHBGJDVXGPN-UHFFFAOYSA-N 365.480 6.289 0 1 FKAF c1ccc(CCCCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 28120954 UTILCGQEOQVGJN-PLQXJYEYSA-N 354.497 5.884 0 1 FKAF Cc1cccc(C/C=C/c2ccccc2C(=O)O)c1OCc1ccccc1 28134622 KHNXAINAIUZRFS-MDWZMJQESA-N 358.437 5.528 0 1 FKAF O=C(O)/C=C/c1ccccc1/C=C/Cc1cccc(OCc2ccccc2)c1 28339111 SWYMFKJLSFBFRK-BYLGNSDWSA-N 370.448 5.619 0 1 FKAF c1ccc(C2=N[C@H](c3cccs3)C(NC3CC3)=Nc3ccccc32)cc1 35876576 OJOYNAWULBNFKO-OAQYLSRUSA-N 357.482 5.122 0 1 FKAF C[C@H]1CCCN(C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)C1 45353537 AKRBCPCYMFKJLQ-LBPRGKRZSA-N 364.276 5.004 0 1 FKAF Cc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(F)cc2)cc1 84712243 VDFWNWKMJXSMRJ-UHFFFAOYSA-N 357.432 5.599 0 1 FKAF CCCCCc1cc(OC)c([C@@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)c(OC)c1 117486798 MBNXYBLSXLVBFB-HFXUHXBXSA-N 358.522 5.545 0 1 FKAF COC(=O)C[C@@H](C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=C[C@H](OC)C[C@H]12 144500937 FBXQLGSYECWVHN-PBXDEEKDSA-N 350.543 5.390 0 1 FKAF CCC(=O)C(CCCCCCCCCCc1ccc(O)cc1)C(=O)CC 169342194 YTUADTXEJQWRAO-UHFFFAOYSA-N 360.538 6.020 0 1 FKAF Oc1ccc2scc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c2c1 587031707 AFFDAUOIMLBUOJ-UHFFFAOYSA-N 372.449 5.729 0 1 FKAF Cc1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 587032530 UHCLJWUUTCPSSC-UHFFFAOYSA-N 358.264 5.098 0 1 FKAF Cc1cc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2cc1F 587073664 JCPULRRDBUPHHH-UHFFFAOYSA-N 350.824 6.306 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCc1ccccc1C4)-c1ccccc1C2=O 587099979 CBAKQYZRXDSZFD-UHFFFAOYSA-N 361.444 5.444 0 1 FKAF C[C@@H]1CC(C)(C)C[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351431 JUBPTJCRGDKIPQ-ODMCQALKSA-N 368.448 5.475 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)Nc1cccc(C(F)(F)F)c1 587625035 ZPRUKBKSYCGAOS-UHFFFAOYSA-N 366.770 5.709 0 1 FKAF Fc1cc2c(-c3ncc[nH]3)c(-c3ccc(Cl)cc3F)[nH]c2cc1Cl 587628915 BVAHJUMFCYBLGX-UHFFFAOYSA-N 364.182 5.810 0 1 FKAF CCN(Cc1[nH]c2cccc(F)c2c1-c1ccccc1)c1ccccc1C 587634817 FOWQANRGVGEZEF-UHFFFAOYSA-N 358.460 6.309 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(Cl)ccn1 587855677 QCSJDTADNFIXQX-UHFFFAOYSA-N 368.651 5.293 0 1 FKAF Cc1cc(Br)ccc1-c1nc(-c2ccc(F)c(F)c2)cs1 587921929 CDWJNHPKNIJWOM-UHFFFAOYSA-N 366.230 5.826 0 1 FKAF COc1ccc(/C=C\Cc2nc3ccc(C(C)(C)C)cc3[nH]2)c(OC)c1 587929763 PVGSVAJYIHDJLM-SREVYHEPSA-N 350.462 5.134 0 1 FKAF Fc1cc2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2cc1C(F)(F)F 587965019 MCEYBHUHRIJNLT-UHFFFAOYSA-N 350.359 5.560 0 1 FKAF Clc1cc2cc([C@@H]3NCCc4cccc(-c5ccccc5)c43)ccc2cn1 962671309 XDILQAOMIOROBC-DEOSSOPVSA-N 370.883 5.790 0 1 FKAF CN(C/C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)CCO2 1772572453 ZEMGIFYMXPOXAV-AATRIKPKSA-N 355.481 5.434 0 1 FKAF C/C=C1/CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772578964 KOUPGPJAHPLLTG-JRGFLGQOSA-N 355.610 6.440 0 1 FKAF Clc1ccc2sc(CCCCN3CC[C@@H]4CCCC[C@H]4C3)nc2c1 1772587572 IFPGADOWNOXLNQ-HOTGVXAUSA-N 362.970 5.785 0 1 FKAF C[C@@H]1C[C@H](C(=O)Nc2nc3cc(C(F)(F)F)ccc3s2)CC(C)(C)C1 1857767237 FJBMFFFOSCWZTA-MNOVXSKESA-N 370.440 5.716 0 1 FKAF C[C@](O)(c1cccc(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 61902927 OTNFBPKXXWMHOP-KRWDZBQOSA-N 367.367 5.224 0 3 FKAF CC(C)CNC(=O)/C=C/CCCCCC/C=C/c1ccc2c(c1)OCO2 14658331 DOGZABSTLUIXJO-WGDLNXRISA-N 357.494 5.098 0 1 FKAF biogenic,in-vitro FC(F)(F)c1ccc(-c2cc(Oc3cnc4ccccc4c3)ncn2)cc1 14974071 QFAWXBAAZMAAPR-UHFFFAOYSA-N 367.330 5.503 0 1 FKAF CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCCc1ccccc1 28567988 PQPOQASWNKXWGE-QUURXOELSA-N 365.561 5.793 0 1 FKAF Cc1cc(-c2cc(F)c(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C 29043327 PYHAWYQXRVXAHX-NSHDSACASA-N 374.862 6.773 0 1 FKAF CC1CCN(c2ccc(N)cc2C(=O)c2ccc(Cl)c(Cl)c2)CC1 29322562 IJOOIPMYOBPLDA-UHFFFAOYSA-N 363.288 5.043 0 1 FKAF C[C@@H]1CC[C@H]2[C@H](C1)c1c(O)cc(-c3cc4ccccc4o3)cc1OC2(C)C 32302037 HCVQRSCZRRQWTK-JLSDUUJJSA-N 362.469 6.496 0 1 FKAF biogenic CCCc1cc(N)c2cc(NC(=O)/C=C/c3cccc(Cl)c3)ccc2n1 36351814 BFLZUTXQMJOMAL-JXMROGBWSA-N 365.864 5.075 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCC(C)C 38146545 JDJGPYKZQFCHTJ-AIBIWWTJSA-N 359.598 6.904 0 1 FKAF CC1(C)C[C@@H](OC(c2ccccc2)c2ccccc2)CCN1c1ccccc1 40423612 ABRKAJGWYBBROK-DEOSSOPVSA-N 371.524 6.240 0 1 FKAF c1ccc([C@H](c2ccc(Nc3nc4ccccc4[nH]3)cc2)n2ccnc2)cc1 40873293 ZZMMQVBQBSLCLI-JOCHJYFZSA-N 365.440 5.141 0 1 FKAF CCC[C@@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc(OC)c1 45189145 GYHSDASACVYVDM-GOSISDBHSA-N 367.533 5.824 0 1 FKAF CCn1c2ccccc2c2c3c(ccc21)CN([C@@H](C)c1ccccc1)CO3 49808544 IZNMYFUKRYSZIA-KRWDZBQOSA-N 356.469 5.728 0 1 FKAF Cc1cc(C2=C(c3ccc(Cl)c(Cl)c3)C[C@H]3CC[C@@H]2S3)on1 66099446 UCZOFGRNAPWDMW-BZNIZROVSA-N 352.286 5.869 0 1 FKAF CC[C@H](C)Cn1c(C(C)C)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188713 CWERRRAGKSRBFJ-DLBZAZTESA-N 365.525 5.211 0 1 FKAF CCCOc1cc(C(C)C)ccc1[C@H]1COC(c2c(F)cccc2F)=N1 103286383 LBTDWSHURDHWSU-GOSISDBHSA-N 359.416 5.395 0 1 FKAF Cc1cccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 587015322 LZFLEKGJBZLWKE-UHFFFAOYSA-N 360.269 5.969 0 1 FKAF Clc1cc(Cl)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587048170 FZPUFLYTDSKNFT-IUCAKERBSA-N 372.082 6.448 0 1 FKAF Cc1ccc(/C=C/c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1F 587146480 NCNJNAGAMJETPV-SNAWJCMRSA-N 354.734 5.853 0 1 FKAF CC(C)[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)N(C)C 587199179 YOQCMPAUCRDVBF-SFHVURJKSA-N 350.491 5.098 0 1 FKAF CC1(C)[C@@H]2C[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352182 LZJFIFNPGCMBNG-NRLVQOBCSA-N 366.432 5.085 0 1 FKAF COc1ccc2c(c1)[C@H](C)[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587524304 LUULNNWHKCFICW-OWJWWREXSA-N 362.469 5.028 0 1 FKAF Cc1ccc(C2(c3ccc(C)o3)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587531977 JFQJJVIBMDZPSM-UHFFFAOYSA-N 362.425 5.277 0 1 FKAF CCC1(C)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603591 NYUHQEJEDMRVLU-XTWGIRIWSA-N 352.430 5.083 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc([C@@H](C)CC)cc12 587642988 XZVVSACVRINXRS-ZDUSSCGKSA-N 355.865 6.179 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3ccccc23)N1 587819514 INHWMWRUXHPKCO-FKIZINRSSA-N 370.265 5.365 0 1 FKAF Cc1ccc(-c2csc(-c3ccc(C(F)(F)F)c(F)c3)n2)cc1C 587920641 KDOXAHUBBWHFFW-UHFFFAOYSA-N 351.368 6.252 0 1 FKAF COc1ccc2cc(-c3nc(-c4ccc(F)c(F)c4)cs3)ccc2c1 587921894 FFDYHSCOZADQNA-UHFFFAOYSA-N 353.393 5.917 0 1 FKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccncc3)n2)cc1 587923518 UUJRAVLGAPSUTC-UHFFFAOYSA-N 371.440 6.160 0 1 FKAF CSc1ccc(-c2csc(-c3ccnc(OCC4CC4)c3)n2)cc1 587924815 KFXAIJSHYCRPBM-UHFFFAOYSA-N 354.500 5.383 0 1 FKAF FC(F)(F)Oc1cccc(-c2nnc3ccc(-c4cccs4)cn23)c1 653666583 IKRVFZZWCISSQQ-UHFFFAOYSA-N 361.348 5.023 0 1 FKAF Cc1cc(O)c(O)c(=O)cc1-c1cccc(-c2cccc3ccccc23)c1 1857543800 LXHBRQGDIGKMNA-UHFFFAOYSA-N 354.405 5.254 0 1 FKAF CC[C@H](C)C(=O)c1c(O)cc(O)cc1OCC[C@H](C)CCCC(C)C 1857630158 JZHRHSJPSFXPFK-CVEARBPZSA-N 350.499 5.558 0 1 FKAF CC(C)=CCCC(C)=CCC[C@@]1(C)Oc2cc(C)c(C=O)c(O)c2C[C@@H]1O 2356325544 YKPVOJYAYMWOJZ-JTHBVZDNSA-N 372.505 5.041 0 1 FKAF COc1cc([C@@H]2C=CCC[C@@H]2C=Cc2ccc(OC)c(OC)c2)ccc1O 2356482463 NNDAWFGRMQFDQC-IEBWSBKVSA-N 366.457 5.181 0 1 FKAF CCC1=C[C@H](c2ccccc2)[C@](C=C(C)C(=O)O)(CC)[C@@H]2[C@H](C)C[C@@H](C)[C@@H]12 2356762139 CCCHOLIIPIWUMK-OMBORVNXSA-N 366.545 6.456 0 1 FKAF Cc1cc(Cl)cc([C@@H](C)c2ccc3c(c2)Nc2ccccc2S3)c1 2382239474 LJNQXHVJAPVSPP-AWEZNQCLSA-N 351.902 7.008 0 1 FKAF COc1cccc(-c2sc3ccc(OC)cc3c2-c2ccc(O)cc2)c1 36388679 SXMCYZLUBNHAQI-UHFFFAOYSA-N 362.450 5.958 0 3 FKAF Cc1ccc(-c2cc(C(=O)Nc3ccccc3)c3ccccc3n2)cc1C 5942634 CHJVHQLPGXGROE-UHFFFAOYSA-N 352.437 5.771 0 1 FKAF O=C(NCC=C(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1 13451848 GFGFPUQDJQSNKH-UHFFFAOYSA-N 352.437 5.030 0 1 FKAF CNCC[C@H](Oc1cccc2ccccc12)c1cccc(C(F)(F)F)c1 13588067 NRBVOOUZUSJEKA-IBGZPJMESA-N 359.391 5.588 0 1 FKAF CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC3(CCCC3)C2)cc1 13745524 PMQKCWAUARTKGJ-UHFFFAOYSA-N 370.489 5.494 0 1 FKAF CCCN(CCC)CCc1c[nH]c2ccc(OCc3ccccc3)cc12 13760465 NGUXOFJZFALDHI-UHFFFAOYSA-N 350.506 5.411 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)OC(C)C 13797940 IZTAVISPABGUMJ-GKFVBPDJSA-N 361.570 6.877 0 1 FKAF Cc1cc(/C=C/C=C/c2ccc(C(=O)O)cc2)c2c(C)ccc(C(C)C)cc1-2 26843883 UZLVZDJMRJQONS-KQQUZDAGSA-N 370.492 6.956 0 1 FKAF COc1ccc([C@H](Sc2nc3ccccc3s2)c2cccnc2)cc1 43064969 BWXCRJRBGSICNQ-IBGZPJMESA-N 364.495 5.582 0 1 FKAF Cc1cccc(Oc2cccc(COc3ccc(CCC(=O)O)cc3)c2)c1 66114143 QVFXJBNJZWNSGZ-UHFFFAOYSA-N 362.425 5.384 0 1 FKAF O=C(Nc1ccccc1)c1cccc(Nc2ccc3c(c2)CCCCC3=O)c1 95579886 DOPKQLKNNFLSNN-UHFFFAOYSA-N 370.452 5.592 0 1 FKAF COc1ccc([C@@H]2CC3=Nc4ccc(Cl)cc4SC3=C(O)C2)cc1 100796376 QMRRONYSQZQNFU-GFCCVEGCSA-N 357.862 5.874 0 1 FKAF OC1=C2C(=Nc3ccnn3[C@H]2c2ccc(Cl)c(C(F)(F)F)c2)CCC1 100914074 ZZBRCHCUZICPAN-INIZCTEOSA-N 367.758 5.227 0 1 FKAF COc1ccc(NCCCOc2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 103268175 UBPWEWKNYNMPEK-UHFFFAOYSA-N 372.468 5.725 0 1 FKAF CCCCC1CCC(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CC1 586884504 NXLOUVURTTXZFV-UHFFFAOYSA-N 362.521 5.858 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587050744 LLPUNGLKLQFHGC-UHFFFAOYSA-N 357.240 6.414 0 1 FKAF Cc1cncc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587060728 SMBFAGRTOUGMJS-UHFFFAOYSA-N 370.843 5.802 0 1 FKAF C[C@@H](c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccccc1C(F)(F)F 587096467 BQKKVVNKXAFBMG-SECBINFHSA-N 358.285 5.752 0 1 FKAF Clc1cc(Cl)c2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1 587229410 GESKRZVDWPFZKI-UHFFFAOYSA-N 369.255 5.544 0 1 FKAF CC[C@H](C)[C@@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587365175 FIZTYSJYEYBTRJ-RDJZCZTQSA-N 371.480 6.418 0 1 FKAF CCCC[C@@H](OC)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399239 HMZASKMCSGFNSS-GGAORHGYSA-N 367.489 5.336 0 1 FKAF Cc1cc(C)cc(Oc2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587402701 GMVRDEOSJLSUNA-HSZRJFAPSA-N 373.452 5.693 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(O)c(C)c3)s1)O2 587410469 NHTVEXLGGGTXDZ-SFHVURJKSA-N 365.454 5.026 0 1 FKAF CCCC[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587461674 LPBXLMCEQCMIEJ-JOCHJYFZSA-N 372.892 6.049 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3)cc1)CC2=O 587482402 OBORLVROZKIELA-HSZRJFAPSA-N 358.437 5.718 0 1 FKAF CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2cc(Cl)c(F)cc12 587628569 OMVUBQQCMYHWBU-UHFFFAOYSA-N 366.219 5.381 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)c2c1 587642962 XUFGSRYORXAFIR-GFCCVEGCSA-N 354.881 6.204 0 1 FKAF O=C(O)c1cc(O)cc(-n2c(-c3ccccc3)ccc2-c2ccccc2)c1 587926786 NYYFRPNGYNPBFP-UHFFFAOYSA-N 355.393 5.215 0 1 FKAF CC(C)=CCC/C(C)=C/c1nc2cc(Br)c(F)c(F)c2[nH]1 587969525 YRNXCKRGGOXCOB-JXMROGBWSA-N 355.226 5.753 0 1 FKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@@H](SC)c1cccc(C)c1 653728139 YQBPZQZGBCFDTR-IBGZPJMESA-N 373.905 5.759 0 1 FKAF C[C@H]1CCC[C@H](C)C12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962954001 KUIDGFMYTPKNBU-GJZGRUSLSA-N 367.455 5.008 0 1 FKAF C/C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772649292 KOUPGPJAHPLLTG-MLQRBZSRSA-N 355.610 6.440 0 1 FKAF Clc1cccc(Cn2cc(C3=CCNCC3)c3ccc4cccnc4c32)c1 1857752019 SJNBBQFPXXWBOK-UHFFFAOYSA-N 373.887 5.268 0 1 FKAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2356315418 YNJRCCQKMDWYDP-RINWBABFSA-N 360.582 6.233 0 1 FKAF Clc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 2382244965 WNHWHMBSPFMPPM-BFWSBGTASA-N 359.900 6.790 0 1 FKAF Cc1c(C)c(C=O)c(C)c([C@@H](CCCCCC(=O)O)c2ccccc2)c1O 13456359 USVBAWGFPLBILY-IBGZPJMESA-N 368.473 5.297 0 1 FKAF C[C@H](C(=O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13863315 GGLFNJMAIWGZSW-QGZVFWFLSA-N 374.440 5.214 0 1 FKAF O=c1ccc(Nc2ccccc2-c2ccccc2)nn1-c1ccccc1Cl 40753492 UVCFMYUJAWNPKX-UHFFFAOYSA-N 373.843 5.297 0 1 FKAF Cc1cc(Cl)cc(Cl)c1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O 43060449 LWCKFYPITZLRTA-SECBINFHSA-N 372.683 5.227 0 1 FKAF CC(C)(N)c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)cc1 72118263 JOSGVLGSVGFPGN-UHFFFAOYSA-N 368.695 5.239 0 1 FKAF O=C(COc1ccccc1-c1cc2ccccc2o1)c1ccc(Cl)nc1 73168532 YSEUHLFKSMRIKS-UHFFFAOYSA-N 363.800 5.410 0 1 FKAF Cc1ccc(C2=NN[C@H](c3c(-c4ccccc4)nc4c(C)cccn34)C2)cc1 95591123 OJNLESUENLVXDI-NRFANRHFSA-N 366.468 5.057 0 1 FKAF Fc1ccc2[nH]c3c(c2c1)[C@H]1CCC[C@H](C3)N1CCCCc1ccccc1 100757918 KYBUUIZCDMRELX-AUSIDOKSSA-N 362.492 5.782 0 1 FKAF CC(C)(C)c1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586994780 CGFIQAMPSAVPTC-UHFFFAOYSA-N 372.310 5.278 0 1 FKAF Cc1ccc(-c2nc(-c3nc4c(C)cnc(Cl)c4[nH]3)c(C)s2)cc1 587013113 HXNLGBZZBKKKKP-UHFFFAOYSA-N 354.866 5.327 0 1 FKAF Clc1cc(Cl)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 587021751 OMNAGNUHWBBSQT-UHFFFAOYSA-N 360.269 5.584 0 1 FKAF CCc1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 587031845 PUOGICLTYFQSHO-UHFFFAOYSA-N 372.291 5.352 0 1 FKAF Cc1c(Br)ccc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc12 587034088 OSLRMRFUPBQXKW-VIFPVBQESA-N 361.308 5.487 0 1 FKAF COc1cccc(-c2ccc(-c3nc4cc(C)cc(F)c4[nH]3)c(Cl)c2)c1 587051986 IAGVJWLHWCIPNM-UHFFFAOYSA-N 366.823 6.006 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H](C)c1ccccc1C4)-c1ccccc1C2=O 587100502 LIZCXESWKMDSFE-OAHLLOKOSA-N 361.444 5.811 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC[C@@H](C(C)(C)C)C4)-c1ccccc1C2=O 587102162 YXFQPHDRFOISKR-MRXNPFEDSA-N 369.508 6.296 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 587109413 OUTGSJFFELXJCZ-UHFFFAOYSA-N 362.351 5.244 0 1 FKAF CSc1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587135356 XREHXRWHYFTKBO-HWKANZROSA-N 356.319 5.151 0 1 FKAF Fc1ccc(-c2ccccc2-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1F 587145577 NEYZVWMQBKDXKI-UHFFFAOYSA-N 360.285 5.592 0 1 FKAF O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5CC4=C3CC[C@@H]12)CC7 587215145 BVSVARQLUKWUBM-OPHPKWAKSA-N 369.508 5.160 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(C)cc(F)c3[nH]2)c1 587238386 IAMFWRWKMMRUGP-UHFFFAOYSA-N 360.436 5.620 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1ccc(Cl)cc1)(C(C)C)O2 587379839 XQGVLSGXCXYMMT-OAQYLSRUSA-N 357.881 5.223 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cccc(Cl)c3nc1Cl)O2 587380208 QRRXIJULMMYSLX-INIZCTEOSA-N 373.239 5.139 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587443473 ALEFIHAKZMWDPW-GBXCKJPGSA-N 356.421 5.025 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC1CCCC1)(c1ccccc1)CC2=O 587478186 BJTYELVAYXCFDM-DEOSSOPVSA-N 364.485 5.786 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC3CCCC3)cc1)CC2=O 587489972 QFGDUXCEWADAAV-QFIPXVFZSA-N 366.457 5.373 0 1 FKAF CCc1ccc([C@@]2(CC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601499 GMOBVGXRKZGLMH-XUZZJYLKSA-N 374.436 5.222 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(C)cc3Cl)c2c1 587640168 FJOGWWJVEDTLGM-ZDUSSCGKSA-N 354.881 6.204 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)NC3C4CC5CC(C4)CC3C5)c2c1 587641541 GXWYYDARYSHHIH-HGZDCALTSA-N 364.533 5.544 0 1 FKAF Cc1[nH]c2ccccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587806172 VKGXWHGBROTDDA-OVWNDWIMSA-N 373.269 5.002 0 1 FKAF CC(C)=CCC/C(C)=C\[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821455 VDDZJNABHFXLAN-BZRLWNNQSA-N 366.318 5.856 0 1 FKAF Cc1ccc([C@H](C)C[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587826207 DJHSOYOOAZIRKJ-AGKHESDQSA-N 366.274 5.259 0 1 FKAF Fc1ccc(OCc2nc(-c3cccc(Cl)c3)cs2)c(Cl)c1 587920766 NZYDMDYWKQGAMO-UHFFFAOYSA-N 354.233 5.835 0 1 FKAF Cc1ccc(-c2csc(-c3ccccc3NC(=O)c3ccco3)n2)cc1C 587921461 YFDWKNXNJBYVKT-UHFFFAOYSA-N 374.465 5.939 0 1 FKAF COc1cc(C)ccc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587925216 KBPTZGFGFJEZFM-UHFFFAOYSA-N 371.465 5.824 0 1 FKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587927341 PMKLICREFZUAEV-LLVKDONJSA-N 365.260 5.429 0 1 FKAF CC[C@@]1(c2ccc(OC(F)F)cc2)c2c(F)cccc2C[C@H]2CCCN21 963114525 UOGQSVOZXHWUIT-IIBYNOLFSA-N 361.407 5.101 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3F)nc3c2Cc2cc(O)ccc2-3)c1 1857561811 RCSIWOVHINQYSP-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CCCCCCOc1cc(Cl)c(C(=O)CC[N@]2C[C@H]2C)cc1Cl 1857606398 FWEQPKVOKVCVSZ-LRTDBIEQSA-N 358.309 5.229 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)c5cc(O)ccc5C[C@H]4[C@@]3(C)CC[C@H]12 2356750798 FUFDFVFIOVENBX-SDOSLOSLSA-N 366.589 6.865 0 1 FKAF CCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 28710492 PNGUNNSUNSTFHO-UHFFFAOYSA-N 354.449 6.403 0 1 FKAF CC(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34506578 ZQDSXDIYKPVJHY-DRYQTVNKSA-N 374.653 7.079 0 1 FKAF biogenic O=c1c(-c2ccccc2Cl)cc(-c2ccccn2)cn1-c1ccccc1 38444481 QLYBJSAIVVWOPP-UHFFFAOYSA-N 358.828 5.220 0 1 FKAF Clc1ccc(COC2(c3ccc(Cl)cc3)C[C@@H]3CC[C@H](C2)N3)cc1 45245007 MHCNDBUONARPSD-YOFSQIOKSA-N 362.300 5.320 0 1 FKAF COc1cc(C(=O)O)c(O)c2ccc3c(c12)C=C[C@@](C)(CCC=C(C)C)O3 84710408 MPFRBGNULMTVEA-JOCHJYFZSA-N 368.429 5.163 0 1 FKAF biogenic Clc1ccc(Cc2nc(-c3c(Cl)cccc3Cl)cs2)cc1 103276370 KUSMDLOJVSSQFG-UHFFFAOYSA-N 354.689 6.361 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)OCCF 169315084 DXPTYLHBGODTLP-AVHBIOJASA-N 365.533 6.438 0 1 FKAF Cc1cc2ccccc2n1CCNC(=O)c1ccc(C2CCCCC2)cc1 169351813 PQRNMTLHCISJBX-UHFFFAOYSA-N 360.501 5.427 0 1 FKAF COc1cc2c(c(OC)c1CC=C(C)C)C=C(c1ccc(C)cc1O)CO2 202278136 JNDMZSWUYVXEQL-UHFFFAOYSA-N 366.457 5.160 0 1 FKAF CC(C)=CCCC1=CC[C@@]2(CC1)C(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)CC[C@H]12 238741938 AJMWIYWHXKOBKT-GSBYDVQLSA-N 368.561 6.838 0 1 FKAF O=C1O[C@@](c2ccccc2)(C2CC2)CC(O)=C1Sc1ccccc1Cl 299819309 AVWMVLFGEVWOMN-FQEVSTJZSA-N 372.873 5.454 0 1 FKAF Brc1ccc(-c2ncncc2-c2cc3ccccc3s2)s1 299863765 PZYANBGSMROFHA-UHFFFAOYSA-N 373.300 5.849 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586878405 HBJZSMZOWKTJHP-UHFFFAOYSA-N 370.349 6.363 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1 586963419 NGUKERQTLCYOFD-JTQLQIEISA-N 365.271 5.459 0 1 FKAF CCc1cc(OCc2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1Cl 587052760 LIJDXKSLFFHBFO-UHFFFAOYSA-N 354.759 5.377 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(C(F)(F)F)ncc2[nH]1 587062021 NOCBHMNUTZTRJL-GFCCVEGCSA-N 355.747 5.160 0 1 FKAF Fc1c(Cl)cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1F 587063062 MJUTXNIHQLYHHD-UHFFFAOYSA-N 366.154 5.470 0 1 FKAF FC(F)Oc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 587130663 NWZXRHURSYXZKR-UHFFFAOYSA-N 373.584 5.247 0 1 FKAF Cc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1F 587162512 CIDTXYVOBREJRH-XNTDXEJSSA-N 352.409 5.800 0 1 FKAF CCCCCC[C@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587402720 GYYATLKMUQHVKA-HSZRJFAPSA-N 367.489 5.417 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](C)Cc1ccc(C(C)(C)C)cc1)O2 587406691 UDWDTZQVIIUHIN-VFNWGFHPSA-N 351.490 5.087 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)c(C)c1)(C1CC1)CC2=O 587465458 DXENFDVWHRZSHS-JOCHJYFZSA-N 354.421 5.063 0 1 FKAF CCOc1ccc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500010 LCKBTWGPPFYPLI-FQEVSTJZSA-N 356.849 5.324 0 1 FKAF COc1ccc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587502462 DSFUMVQQWAAQGU-KRWDZBQOSA-N 360.812 5.073 0 1 FKAF O=C1C[C@](Cc2ccccc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587514178 HBRNZWIKSNKRNS-RUZDIDTESA-N 369.464 5.064 0 1 FKAF COc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1F 587949451 GYWYPFLOAXUEOW-QXMHVHEDSA-N 360.388 5.673 0 1 FKAF CC(C)c1nn(C)c2c1[C@H](c1cccc3c1sc1ccccc13)NCC2 962915372 HQHMQHHRKHCMQB-NRFANRHFSA-N 361.514 5.147 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccsc2Br)N1 962944938 GHBUTRGMRVDCEI-MEBBXXQBSA-N 361.308 5.006 0 1 FKAF Fc1ccc(Cl)c(F)c1-c1c(Cl)ncn1-c1ccc(Cl)cc1 1772632807 KBHZNYWCYYKEGH-UHFFFAOYSA-N 359.590 5.778 0 1 FKAF CC(C)CCCCCCCCCCc1c(O)cc(CC(C)C)oc1=O 2356455140 IOQJCTXUSYHBRM-UHFFFAOYSA-N 350.543 6.253 0 1 FKAF CC(=CCC[C@H](C)[C@@]1(O)CC=C(C)CCC=C(C)CCC=C(C)CC1)CO 2356605240 YSQWNHGXBZOTNJ-LOSJGSFVSA-N 374.609 6.656 0 1 FKAF CC(C)c1ccc(NC(=O)OC[C@@H]2CCCN(Cc3ccccc3)C2)cc1 2382253271 LNSFUBYHUNTELH-HXUWFJFHSA-N 366.505 5.271 0 1 FKAF Fc1ccc(-c2[nH]cc(C3=C[C@H]4CCCCN4CC3)c2-c2ccncc2)cc1 3994995 TZPIIYHXOQCLOA-OAQYLSRUSA-N 373.475 5.524 0 1 FKAF O=C(Nc1ccccc1Cl)Nc1nc(-c2ccccc2)nc2ccccc12 13672128 FVIHUPFBXYUTNY-UHFFFAOYSA-N 374.831 5.594 0 1 FKAF Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3c(C)cccc3o2)cc1 29049788 ZYHPDVCTCMKWBS-UHFFFAOYSA-N 372.424 5.129 0 1 FKAF Fc1ccccc1Oc1cc(NCc2cccc(C(F)(F)F)c2)ncn1 34227979 APBQLMBZYVWUAY-UHFFFAOYSA-N 363.314 5.039 0 1 FKAF Cc1nc2c(C)cccc2c(Nc2ccc(N3CCCN(C)C3)cc2)c1C 34801117 KUMLVCNUFRRWHR-UHFFFAOYSA-N 360.505 5.003 0 1 FKAF COc1cncc(-c2cc3ccc(OC)cc3cc2Cc2ccccc2)c1 40953981 UGPYCDBPIUIBHR-UHFFFAOYSA-N 355.437 5.510 0 1 FKAF COc1ccc(CCc2ccc(-c3c(C)[nH]c(C)c(Cl)c3=O)cc2)cc1 45190704 FLDSDDXDFUGGJO-UHFFFAOYSA-N 367.876 5.106 0 1 FKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CNC(C)C)cc4)cc3)nc12 45227573 UTRYHXKVUVLYCQ-UHFFFAOYSA-N 355.485 5.703 0 1 FKAF Clc1ccc(Sc2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1 72176135 ZMCMHCARABUDFL-UHFFFAOYSA-N 370.304 7.293 0 1 FKAF CC(C)(C)C1=NN(c2c(Cl)cccc2Cl)[C@@H](c2ccc(O)cc2)C1 299826012 DQAMXHMKBYEODA-MRXNPFEDSA-N 363.288 6.053 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C(Br)=CC4)-c1ccccc1C2=O 586994054 RVRLPXFSFXZDIA-UHFFFAOYSA-N 362.226 5.047 0 1 FKAF Cc1nc2c(C)ccc3c2c(c1Cc1cccc(F)c1)-c1ccccc1C3=O 586994908 GEGWTZWHRDKSJQ-UHFFFAOYSA-N 367.423 5.793 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@@H]4Cc1ccccc1)-c1ccccc1C2=O 587101323 SCSNJPXEYZKINR-KRWDZBQOSA-N 361.444 5.637 0 1 FKAF COc1ccc(OC)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587106142 FNBYTLWLQOAPMG-UHFFFAOYSA-N 367.404 5.130 0 1 FKAF FC(F)(F)Sc1ccc(/C=C/c2nc3cc(Cl)cnc3[nH]2)cc1 587125811 RZNMKSBOQUYAJN-ZZXKWVIFSA-N 355.772 5.394 0 1 FKAF Fc1ccc2c(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)coc2c1 587173995 FAKVWZJLSZHANV-UHFFFAOYSA-N 370.689 5.667 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)c1 587235101 LBCVLFAOZZSKCE-UHFFFAOYSA-N 352.800 5.126 0 1 FKAF COc1cccc(-c2cc(CCC(F)(F)F)nc3c2oc2ccccc23)c1 587358502 BXYOLJOCHLXDIG-UHFFFAOYSA-N 371.358 6.152 0 1 FKAF CC[C@]1(c2ccc(C)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359841 ZZFJXFCXGNOJFK-RBBKRZOGSA-N 366.388 5.097 0 1 FKAF Cc1ccsc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379515 YOYINSHSMTWEEK-NQIIRXRSSA-N 368.429 5.176 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cccnc3)c1)CC2=O 587490191 PCEGTTAYIXBEQF-JOCHJYFZSA-N 359.425 5.113 0 1 FKAF C[C@]1(c2cccc(C3CC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602069 IOZTVTALIMJASX-ZJSXRUAMSA-N 372.420 5.147 0 1 FKAF CC(C)C1CCC([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587602247 HDCRJNFZJSODMB-QFHNSRLUSA-N 366.457 5.185 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3F)c(C(=O)C(F)(F)F)c2c1 587640214 GKJRZUKPJOIXSV-NSHDSACASA-N 363.354 6.233 0 1 FKAF CSc1ccc(-c2csc(C(c3ccccc3)c3ccccc3)n2)cc1 587925291 QYTCSMFNUSMGBL-UHFFFAOYSA-N 373.546 6.712 0 1 FKAF Cc1cc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2cc1C 587956751 AFHLLDZEHBIPKG-UHFFFAOYSA-N 358.526 6.098 0 1 FKAF CC(C)(C)[C@@]1(c2ccc(F)cc2)NCCc2cc(-c3ccccc3)ccc21 962664143 IKQPFEBGBOWYCY-VWLOTQADSA-N 359.488 5.928 0 1 FKAF COc1ccc(-c2nc3ccccc3n2-c2ccc(Cl)cc2)cc1OC 1772580720 YYCLZIMBDIWSKR-UHFFFAOYSA-N 364.832 5.363 0 1 FKAF COc1cccc(C[C@H]2COC[C@@H]2Cc2ccc(Cl)c(Cl)c2)c1 1772619834 HEHGHZDRXUEBKK-HOTGVXAUSA-N 351.273 5.050 0 1 FKAF CC(=O)c1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1 1772646638 FNWXWFUCJHXEBB-UHFFFAOYSA-N 357.335 5.109 0 1 FKAF CC1=CCC(C)(C)C=CC[C@]2(C)Oc3cc(O)cc(C)c3C[C@@H]2C[C@@H]1O 2356690262 QTNDIUYXNQSFIE-MONBJTKQSA-N 356.506 5.084 0 1 FKAF COc1cccc2c1-c1ccc3c(c1[C@H](CC(C)C)O2)C(C)=CC(C)(C)N3 13470794 LUJGLEQFDNFEOE-FQEVSTJZSA-N 363.501 6.449 0 1 FKAF C[C@H]1[C@@H]2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 13493431 BZXKIAFEGKPVMG-WDNCENIBSA-N 360.545 5.233 0 1 FKAF CCCc1c(C(=O)SCC)c(C)nc(-c2ccccc2)c1C(=O)OCC 13672330 COIYLGMUGWDDPB-UHFFFAOYSA-N 371.502 5.080 0 1 FKAF O=C(c1cccc2ccccc12)c1cn(C[C@@H]2CCCCN2)c2ccccc12 13781970 ACDWUXBEEILJEI-IBGZPJMESA-N 368.480 5.168 0 1 FKAF O=C(O)C[C@@H](c1ccccc1)c1ccc(OCCCC(F)(F)F)cc1 14978832 QJIXDCHIRMADMB-KRWDZBQOSA-N 352.352 5.015 0 1 FKAF FC(F)(F)c1ccc([C@H](OCCCc2c[nH]cn2)c2ccccc2)cc1 26149921 VZWGQWGTUFCGEJ-LJQANCHMSA-N 360.379 5.167 0 1 FKAF Cc1cccc(C/C=C/c2ccccc2CC(=O)O)c1OCc1ccccc1 28125693 RFAZWIRMMSXQPG-RIYZIHGNSA-N 372.464 5.457 0 1 FKAF CCC[C@@H](C)Nc1ncnc2nc(-c3ccccc3)c(-c3ccccc3)nc12 28346770 FWJFPZZMLAQDFR-MRXNPFEDSA-N 369.472 5.354 0 1 FKAF CC[C@@H](Nc1cc(COC)ncn1)c1ccc(Oc2ccc(F)cc2)cc1 28887694 MFHUCMNYSLQDGV-HXUWFJFHSA-N 367.424 5.118 0 1 FKAF CSc1cnc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)(C)C)s1 45353004 NBZRALXNSKKPSX-ZDUSSCGKSA-N 354.928 5.287 0 1 FKAF Cc1csc(-c2nc(CC(C)C)[nH]c2-c2ccc3ncsc3c2)n1 95560345 VVPGCYJUHDLNJG-UHFFFAOYSA-N 354.504 5.317 0 1 FKAF CC1=C(CCc2nnn[nH]2)c2cc(F)ccc2/C1=C\c1ccc(C(C)C)cc1 98209061 XBRDZHUUARVXDN-MTJSOVHGSA-N 374.463 5.423 0 1 FKAF in-vitro CCc1ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1Br 586977670 OVYYCMHLMNZYRH-UHFFFAOYSA-N 371.612 5.486 0 1 FKAF O=C1c2ccccc2-c2cc(/C=C/c3ccccc3O)nc3ccc(O)c1c23 586991289 MKHIEUBZEQTVNN-MDZDMXLPSA-N 365.388 5.028 0 1 FKAF Cc1cnc(Cl)nc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586992652 IEZDUSAICZEQND-UHFFFAOYSA-N 371.827 5.173 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cnc3ccccc3c2[nH]1 587044697 PHPMMWQBSPJXKG-UHFFFAOYSA-N 374.227 5.102 0 1 FKAF CC(C)(Br)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102197 RYGXXPLKYARFKL-UHFFFAOYSA-N 352.231 5.076 0 1 FKAF CCOc1cc(/C=C\c2nc3cc(C)c(F)cc3[nH]2)ccc1OC(F)F 587131147 URDIZSGEBBRQGC-ALCCZGGFSA-N 362.351 5.181 0 1 FKAF Fc1c(Cl)cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1F 587229954 NDEGTUKAOVCBSN-UHFFFAOYSA-N 370.790 5.169 0 1 FKAF CCc1c(C(C)(C)C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366639 XVUOYUNDWXYFOL-UHFFFAOYSA-N 359.469 6.517 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4ccccc4)c1)[C@@H](C2)C3=O 587446094 TUYQZHJKHPNHEI-RDPSFJRHSA-N 356.421 5.025 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)c(C)cc1F)CC2=O 587468033 WFGDIVQNWLOZSQ-HXUWFJFHSA-N 362.828 5.326 0 1 FKAF CCCc1ccc([C@]2(C(C)C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587477984 ADPRYSRBGVCCTQ-XMMPIXPASA-N 366.501 5.814 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(C)cc1)(C1CC1)CC2=O 587479282 CXGCAWDZZDGACI-HSZRJFAPSA-N 350.458 5.010 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c4c(ccc13)CCC4)CC2=O 587486678 SQQCSJWBJAJWOD-NRFANRHFSA-N 361.441 5.021 0 1 FKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br 587497981 DVKGQIHZGOUCLL-IBGZPJMESA-N 371.274 5.343 0 1 FKAF Cc1onc(-c2ccccc2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528339 XLLKZFBOAOUTDR-FQEVSTJZSA-N 359.425 5.235 0 1 FKAF COc1ccc2sc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587536698 ZDWYYWYDWRXDCZ-LJQANCHMSA-N 364.466 5.495 0 1 FKAF Cc1ccc2[nH]c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587802100 JTCDYOZUPQSCFT-NSPYISDASA-N 373.269 5.002 0 1 FKAF CC1=C([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CCC1 587819190 HKMTXCWHYZUVQJ-KPZWWZAWSA-N 366.318 5.690 0 1 FKAF C[C@@H](CC1CCCCC1)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821441 VAUBSBBGRJENDO-XEKQOVJPSA-N 368.334 5.770 0 1 FKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587931770 STQJPIYFLAVOML-XIKOKIGWSA-N 364.342 5.175 0 1 FKAF CCC(=O)O[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@@]4(O)CC)[C@@H]2CC1 606575967 ODOMHABFTBNARE-QNXQKVEWSA-N 360.538 5.022 0 1 FKAF biogenic c1ccc(-c2cccc3c2[C@]2(C[C@@H]4CCCc5cccc2c54)NCC3)cc1 962674547 YAPCYBSONCKSNL-HFZDXXHNSA-N 351.493 5.567 0 1 FKAF Cc1ccc(C[C@@]2(C(F)(F)F)c3c(F)cccc3C[C@H]3CCCN32)cc1 963102981 TYUARDWNKRVSBI-XLIONFOSSA-N 363.398 5.155 0 1 FKAF Cc1ccc(-c2ccc([C@]3(C)NCCc4ccc(O)cc43)cc2)c(Cl)c1 963340871 JOPOEGUSPQRTNM-QHCPKHFHSA-N 363.888 5.430 0 1 FKAF Clc1ccc(Nc2nc(C3CC3)nc3sc4c(c23)CCCC4)cc1 1772608704 XPBYMVDUWQHPER-UHFFFAOYSA-N 355.894 5.845 0 1 FKAF Cc1ccc(-c2cc(Cl)c(Nc3ccccc3C(=O)O)c(Cl)c2)cc1 1857534968 QXHVBOAFFKZIDE-UHFFFAOYSA-N 372.251 6.411 0 1 FKAF O=C(Nc1cccnc1)c1ccccc1OCc1cc(Cl)ccc1Cl 1857550985 AYXRJTFBUPQAHJ-UHFFFAOYSA-N 373.239 5.220 0 1 FKAF CC/C(=C(\c1ccccc1)c1ccc(OCCN2CC2)cc1)c1ccccc1 27901702 HODDDQIAUQRFRB-QPLCGJKRSA-N 369.508 5.750 0 1 FKAF CCCCCSCC[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 40527519 AIXODEBHLBBHQA-OJTNQLQJSA-N 354.556 5.295 0 1 FKAF Cc1ccc2c(Nc3ccc(N4CCN(C)[C@@H](C)C4)cc3)c(C)c(C)nc2c1 52962028 LKVQAMHRWJYSED-KRWDZBQOSA-N 374.532 5.044 0 1 FKAF CCCCCCNC(=O)Oc1ccc2c(c1)CCCN2Cc1ccccc1 64573992 XAHCHJMRLSKADE-UHFFFAOYSA-N 366.505 5.308 0 1 FKAF O[C@H]1c2ccccc2CC[C@@]1(Cc1ccccc1)C1=Cc2ccccc2C1 71341855 OJQJHFSPUMBXJM-IZZNHLLZSA-N 352.477 5.535 0 1 FKAF C[n+]1c(/C=C\Nc2ccccc2)n(-c2ccccc2)c2ccc(Cl)cc21 101742322 WAIBPQZXBUNNLQ-UHFFFAOYSA-O 360.868 5.191 0 1 FKAF CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1ccc(Cl)cc1 104004665 YQBSZNODRDURIE-NRFANRHFSA-N 366.848 5.516 0 1 FKAF CCCCC[C@H](CC)OC(=O)CCCOc1ccc(Cl)cc1Cl 169304739 ZAPVNKQEZNTYQV-HNNXBMFYSA-N 361.309 6.055 0 1 FKAF Oc1c(F)cc2[nH]n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc1-2 169719172 PKKHBBQDKMWSAX-UHFFFAOYSA-N 353.102 5.081 0 1 FKAF O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccccc1 224915481 BXUJDNHEKUNFDS-UHFFFAOYSA-N 370.374 5.570 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586962032 AOHSGQCYZYPGBK-INIZCTEOSA-N 372.493 5.788 0 1 FKAF CCc1ccc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2c1 586976998 LPTNPVFNKPBFST-TWGQIWQCSA-N 357.251 5.067 0 1 FKAF C[C@@H](c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990740 GHJPHLSICGATEL-AWEZNQCLSA-N 351.405 5.304 0 1 FKAF Cc1cc(F)c2nc(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)[nH]c2c1 587030516 GEPFTLMLAPCBMK-ZDUSSCGKSA-N 365.477 5.969 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1ccsc1CC4)-c1ccccc1C2=O 587101844 NWBQUHDVMQUJFM-UHFFFAOYSA-N 353.446 5.582 0 1 FKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(Cl)nc3[nH]2)cc1F 587151006 OAZPWLNUGDUWAF-KRWDZBQOSA-N 371.774 5.058 0 1 FKAF COc1cccc(-c2cc(CC(=O)C3CCC3)nc3c2oc2ccccc23)c1 587366494 UPUZQWZBPMJLOP-UHFFFAOYSA-N 371.436 5.568 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)sc3ccccc13)CC2=O 587496028 RCVGAQGMFSFNCC-JOCHJYFZSA-N 366.482 5.748 0 1 FKAF O=C1C[C@@]2(CCc3c(C(F)(F)F)cccc32)Oc2c1ccc1c2CCCC1 587508416 OUXOYMCJKQORDU-OAQYLSRUSA-N 372.386 5.391 0 1 FKAF O=C1C[C@@H](c2ccc(Oc3ccccn3)cc2)Oc2c1ccc1c2CCCC1 587516572 YGKVNGKCLFTIIL-QFIPXVFZSA-N 371.436 5.459 0 1 FKAF CCC[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587521162 AQVLDBUVBHZUGG-XMMPIXPASA-N 359.469 5.708 0 1 FKAF CCCC/C=C\CCCCCCCCc1cnc2nc(O)nc(O)c2c1 587562261 UJPYDDMHHXSWTO-WAYWQWQTSA-N 357.498 5.456 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603088 KXIBBLGOUODVPA-AWCZTAGVSA-N 366.457 5.185 0 1 FKAF O=C(c1c(-c2cccs2)[nH]c2cc(F)ccc12)C(F)(F)C(F)(F)F 587634305 YENHPJAEEWEUOD-UHFFFAOYSA-N 363.282 5.416 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(Cc3c(C)[nH]c4c(C)cccc4c3=O)c2c1 587643281 CQTYFZKCIYCSEW-CQSZACIVSA-N 372.512 6.039 0 1 FKAF CC1=C(C)C[C@](C)([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587819783 NNMZTLSHHXKZMS-MJXNMMHHSA-N 366.318 5.690 0 1 FKAF Cc1cc(C)cc(C[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587821003 SFELWJLKEAXKDC-CXAGYDPISA-N 362.286 5.023 0 1 FKAF Cc1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2cc1Br 587966766 DIQYHBYXOHIOOC-KTKRTIGZSA-N 363.258 5.957 0 1 FKAF COc1ccc(C[C@@H](C)[C@H]2NCCc3cccc(-c4ccccc4)c32)cc1 962666906 UARLKDZHONFUGO-IQGLISFBSA-N 357.497 5.428 0 1 FKAF Fc1cccc(-c2ncc([C@H]3c4c(F)cccc4C[C@@H]4CCCN43)s2)c1 963097037 FGWCZLLCOZMPDG-JXFKEZNVSA-N 368.452 5.198 0 1 FKAF CCCC[C@@H]1[C@H](C(=O)CC)[C@@H](c2ccccc2)CCN1C(=O)OC(C)(C)C 1857616497 NFEFTKKLHVHLBP-SFHLNBCPSA-N 373.537 5.565 0 1 FKAF COC(=O)C=C(C)CC[C@@H]1[C@](C)(OC=O)CC[C@H]2C(C)(C)CCC[C@]21C 2356304372 CEHXOVCCJGHXEP-MOXQZVSFSA-N 364.526 5.060 0 1 FKAF CC(=CCC=C(C)[C@H](C)CC(=O)c1ccc(O)cc1O)Cc1cc(C)co1 2356512709 BULFJIKGJJCXFJ-GOSISDBHSA-N 368.473 5.734 0 1 FKAF Clc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 2382244968 WNHWHMBSPFMPPM-SOBALLDBSA-N 359.900 6.790 0 1 FKAF COc1ccc([C@](C)(O)c2nc(-c3csc4ccccc34)cs2)cc1 61926314 WRVKRHPUJCMGEV-FQEVSTJZSA-N 367.495 5.289 0 3 FKAF c1ccc(C2(c3ccccc3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)cc1 1564563 OYQBCSBMSFBKPF-FTJBHMTQSA-N 360.480 5.399 0 1 FKAF CS(=O)(=O)c1ccc(-c2cc3ccccc3cc2-c2ccccc2)cc1 3814818 FBDKUMTZJSNAKR-UHFFFAOYSA-N 358.462 5.577 0 1 FKAF O=C1CS[C@H](c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1Cl 5847834 ZVOOSKBMTOEWQD-QGZVFWFLSA-N 363.269 5.253 0 1 FKAF Cc1cc(Cc2nnc(Nc3ccc(Cl)cc3)c3ccccc23)cc(C)n1 13808837 PXVHGHAKRNHTTB-UHFFFAOYSA-N 374.875 5.629 0 1 FKAF CC(C)CCCCCCCCCCCCCCCCCC[C@H](O)C(=O)O 14489869 NNLYJQNQENRGBO-QFIPXVFZSA-N 370.618 7.110 0 1 FKAF biogenic CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C(C)(C)O)cc2C)c1C 14975007 ALRZAQSBUOSIIL-UHFFFAOYSA-N 371.521 5.902 0 1 FKAF Cc1cccc([C@H](c2ccccc2)N2CCC(O)(c3ccccc3)CC2)c1 28708176 ODFDCTDNLNJAAY-DEOSSOPVSA-N 357.497 5.068 0 1 FKAF in-vivo CC(C)(C)c1ccc([C@H](O[C@H](CN)c2ccccc2)c2ccccc2)cc1 45391509 FUAZOBTVSMDITA-DNQXCXABSA-N 359.513 5.790 0 1 FKAF COc1cccc([C@@H](C)NCc2cccc(-c3ccccc3Cl)c2)c1 58650057 OQHFIXRNQOQRHM-MRXNPFEDSA-N 351.877 5.866 0 1 FKAF CCC(C(=O)Oc1ccc(C(C)(C)C)cc1)(C(F)(F)F)C(F)(F)F 68572996 BPQALWRRRWIEOJ-UHFFFAOYSA-N 356.306 5.411 0 1 FKAF biogenic O=C(c1cccs1)N1CCC[C@@H]1c1ccc(-c2cccc(Cl)c2)nc1 72176623 ILFNJXKQDRVMOX-GOSISDBHSA-N 368.889 5.441 0 1 FKAF Clc1ccc(C(OC[C@H]2CCCCN2)c2ccc(Cl)cc2)cc1 84741582 KFHNLNACTABJSO-GOSISDBHSA-N 350.289 5.242 0 1 FKAF Fc1ccc([C@H]2C[C@@H]3CC[C@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1 101388954 LSHLQBBAJNMIOH-UDKICSLYSA-N 365.473 6.016 0 1 FKAF N[C@H]1CC[C@H](N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 150142942 BINXOHRETRQOCW-MHTWAQMVSA-N 374.450 5.088 0 1 FKAF Cc1nc(N[C@@H]2CCOc3ccccc32)cc(-c2ccc(Cl)c(C)c2)n1 205830074 ZXSWNIWWSFOUBR-GOSISDBHSA-N 365.864 5.350 0 1 FKAF O=C1O[C@H](c2cccc(Cl)c2)CC(O)=C1Sc1ccccc1Cl 299829062 HNHYZJLLAMGVGN-AWEZNQCLSA-N 367.253 5.543 0 1 FKAF CN(C)c1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1 299838813 WABPNSCYWRNHEU-UHFFFAOYSA-N 366.852 5.112 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(Cl)c(C)c3[nH]2)c1 586878245 FRRIQBLWVSKGDB-UHFFFAOYSA-N 374.871 6.040 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(F)c(C)c3[nH]2)c1 586879611 UTLZPLBGRSYSAD-UHFFFAOYSA-N 358.416 5.525 0 1 FKAF Cc1nccc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc12 587049211 IZLWUONBKLEESG-UHFFFAOYSA-N 369.855 6.407 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(-n4cccn4)cc3)nc3cccc1c23 587105011 LJAIPICUOGRASC-UHFFFAOYSA-N 373.415 5.299 0 1 FKAF Cc1c(Cl)ccc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 587113027 JAVZYWUKFBGTEI-SNVBAGLBSA-N 352.787 5.890 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4cccc(OC(F)(F)F)c4[nH]3)C2)c1 587131994 YZSFXWJVPSKMJW-UHFFFAOYSA-N 368.305 5.343 0 1 FKAF Fc1ccc(/C=C(/c2nc3cc(F)c(F)cc3[nH]2)c2cccs2)cc1 587163858 MACGUMYBGVDDOZ-MDWZMJQESA-N 356.372 5.631 0 1 FKAF CC/C=C/CCCc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366327 KYGLWIGCOQHEFB-SNAWJCMRSA-N 371.480 6.946 0 1 FKAF CC[C@]1(c2ccc3cc(N(C)C)ccc3c2)CC(=O)c2cc(C)cc(N)c2O1 587386797 KRJQZTAEOZJJDL-XMMPIXPASA-N 374.484 5.067 0 1 FKAF CCn1c2ccccc2c2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc21 587389552 IHLRUWYVAVFJCU-QHCPKHFHSA-N 370.452 5.412 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccccc3nc1Cl)CC2=O 587463061 VOBMULTZPQXDDZ-IBGZPJMESA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(C)(C)C)cc1)CC2=O 587482911 KRMGRIVQTQGYHF-FQEVSTJZSA-N 354.446 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C)c3ccccc13)CC2=O 587490630 SGVKUCPXOCLLAR-DEOSSOPVSA-N 360.453 5.687 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](C(c1ccccc1)c1ccccc1)CC2=O 587490676 TWEAFBUTSOQGRB-QHCPKHFHSA-N 372.464 5.511 0 1 FKAF CC[C@@]1(c2ccsc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613198 MSVGUHBOIPSXLF-RXVVDRJESA-N 366.438 5.029 0 1 FKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccc(Cl)cc1 587622039 VCHVLTAFQPWVTO-UHFFFAOYSA-N 374.669 5.359 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(F)cc(F)c3)c(CCC(=O)O)c2c1 587641408 IQECNHZGIXPPHT-LBPRGKRZSA-N 357.400 5.644 0 1 FKAF CCC[C@@H]1CC(C)=C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587818966 TWOQRMZOBMAFEW-LPMFXHHGSA-N 366.318 5.474 0 1 FKAF CC1=C([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CCC1 587819193 HKMTXCWHYZUVQJ-XIKOKIGWSA-N 366.318 5.690 0 1 FKAF CC(C)C[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587819620 VYTYBGIUARGIKG-BIENJYKASA-N 368.334 5.554 0 1 FKAF COCCc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923158 RUVKIHMTIGUNEA-UHFFFAOYSA-N 352.434 5.286 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(Br)c(C)c2[nH]1 587950631 NFHBSRYKTOIZHS-RBOXIYTFSA-N 365.315 5.680 0 1 FKAF CC1(C)CCC(Cc2nc3c(Br)cnc(Cl)c3[nH]2)CC1 587963231 LVJBHRFIVNMCJQ-UHFFFAOYSA-N 356.695 5.133 0 1 FKAF Fc1cc(Cl)cc(-c2ccc([C@H]3NCCc4cc(Cl)ccc43)cc2)c1 963390615 LMSUCTCUBNDVSU-OAQYLSRUSA-N 372.270 6.035 0 1 FKAF CC(=O)OCC=C(C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)O)[C@H]2CC[C@@H]1C 2356616966 MHVXKXKLJNXBPK-PWZKMPOXSA-N 362.510 5.140 0 1 FKAF COC(=O)CC[C@@]12C3=CCC[C@@H]3CC[C@H]3C=N[C@H]1[C@@H](C(C)C)CC[C@]32C 2356645039 CPDMKDOXBXJZGN-KDLOKWSHSA-N 357.538 5.198 0 1 FKAF CC(=O)O[C@@H](C=C(C)CCC=C(C)C)Cc1cocc2c(C=O)ccc1-2 2356684216 OHTVVNDAIHLKNH-FQEVSTJZSA-N 354.446 5.364 0 1 FKAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C)=CC[C@H]32)C1 2356748430 FDBPAKHHKJZPKD-ULMUWWLMSA-N 356.598 5.024 0 1 FKAF COc1ccc2oc([C@H](c3ccccc3)c3c[nH]c4ccccc34)cc2c1 2382257116 IFQXKRYTXKTPRJ-XMMPIXPASA-N 353.421 6.103 0 1 FKAF CCCCCCOc1nsnc1C1=C[C@]2(C)CCCC[C@@]2(C)N(C)C1 26288360 XRCZXVLJAJAWHZ-VQTJNVASSA-N 363.571 5.165 0 1 FKAF CCSC1=NC(c2ccccc2)=NN(c2ccccc2)c2ccccc21 45352474 ZDSWXUOXBVJWOH-UHFFFAOYSA-N 357.482 5.700 0 1 FKAF O=C(O)c1ccc2c(c1)[C@@H]1CCC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 49035464 PLFHELPYKSYXIL-VBHSOAQHSA-N 362.256 5.742 0 1 FKAF CCCCCOc1ccc([C@@](C)(O)/C=C/[C@@H]2C(C)=CCCC2(C)C)cc1 49066591 OGMUENNXEHXDIX-SYIYLKLRSA-N 356.550 6.402 0 1 FKAF CCCCCc1cc(OC(C)C)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 87722523 MLOLINWQJGXBEU-WOJBJXKFSA-N 356.550 6.817 0 1 FKAF Cc1cc(Oc2cccc(Cn3cc4ccccc4n3)c2)cc(C)c1Cl 95582957 BJIGFXVWYDPZSP-UHFFFAOYSA-N 362.860 6.147 0 1 FKAF COc1oc(=O)c2cc(NCc3cccc4ccccc34)ccc2c1Cl 95592659 ZUBFFMQZENJWIF-UHFFFAOYSA-N 365.816 5.220 0 1 FKAF c1ccc2sc(Oc3ccc4oc(CN5CCCCC5)cc4c3)nc2c1 95595429 JHJJCVVKKWGKRN-UHFFFAOYSA-N 364.470 5.821 0 1 FKAF CC[C@@H]1CCCCCCc2c1oc(O)c([C@@H](c1ccccc1)C1CC1)c2=O 100712848 WNGUQXPUAIUOMO-UZLBHIALSA-N 366.501 5.888 0 1 FKAF CCOC(=O)COc1ccc(-c2ccc(O)cc2)cc1CC1CCCCC1 103257585 DIEVRZYVYAAEEU-UHFFFAOYSA-N 368.473 5.124 0 1 FKAF CCc1ccc(CCOc2ccc(C3=NO[C@H](c4ccccc4)C3)cc2)nc1 103272594 MYLSIBBMVUSYKN-DEOSSOPVSA-N 372.468 5.131 0 1 FKAF CC1=Nc2nc3ccccc3n2[C@H](c2ccc(C)o2)/C1=C(\O)c1ccccc1 104052216 FSIIPUKDEIUSQA-SADKCHQCSA-N 369.424 5.602 0 1 FKAF Cc1ccccc1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991451 MWMQTJJWZUIXIX-UHFFFAOYSA-N 351.405 5.051 0 1 FKAF CC(C)(C)c1cccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 587135406 ZEHLXCFIOVIEBA-UHFFFAOYSA-N 354.372 5.373 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4ccnc(Cl)c4[nH]3)ccc2F)cc1 587139699 QSLZTQUGBLZUGZ-UHFFFAOYSA-N 365.795 5.287 0 1 FKAF COc1cccc(-c2cc(-c3nonc3C)nc3c2oc2ccccc23)c1 587364054 WMXRUFGZLJIBBW-UHFFFAOYSA-N 357.369 5.015 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccc(Cl)cc3)cs1)O2 587414685 UWCLKEITRLARMU-KRWDZBQOSA-N 370.861 5.061 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccccc3)cc1)CC2=O 587475530 AMFNIXNUUBYJJG-QHCPKHFHSA-N 374.436 5.844 0 1 FKAF CCCCc1oc2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587534851 ZZSVFRUOXPCRDR-QHCPKHFHSA-N 374.480 6.361 0 1 FKAF O=C(c1cccc2ccccc12)c1c(C(F)F)[nH]c2c(C(=O)O)cccc12 587637716 ONCGMQKTXAQAPP-UHFFFAOYSA-N 365.335 5.188 0 1 FKAF CSc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(C(=O)O)cccc12 587637897 QMBGKENXNZXION-UHFFFAOYSA-N 351.349 5.274 0 1 FKAF CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2ccc([C@@H](C)CC)cc12 587639842 DUMMUCMZRAPECX-ZDUSSCGKSA-N 355.865 6.179 0 1 FKAF COc1c(Cc2ccccc2)cc(O)n1-c1ccc(O)c(-c2ccccc2)c1 587924915 BWUXWINBKHQOQY-UHFFFAOYSA-N 371.436 5.155 0 1 FKAF CC[C@]1(Cc2nc3cc(C)c(Cl)cc3[nH]2)CC(=O)c2ccccc2C1 587958919 ADXPAVKPCUDEEX-OAQYLSRUSA-N 352.865 5.293 0 1 FKAF CCOC(=O)c1[nH]c2cc(OC)ccc2c1-c1ccc(C(F)(F)F)cc1 1857543714 OKXATEOUCGUYFR-UHFFFAOYSA-N 363.335 5.039 0 1 FKAF Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2-c2ccc3ccccc3c2N1C 1857762529 DLJUMLIZCIGZRP-HHHXNRCGSA-N 374.487 6.836 0 1 FKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OCC)[C@]2(C)[C@H]1C 2356493369 QVCCBGBILDRMPT-MOOQUACASA-N 360.494 5.152 0 1 FKAF CCCCC=CCCCCCCCCCCC[C@]1(O)C=C[C@H](O)[C@@H](O)C1 2356674200 ZDXBXVVAIFALIO-VABKMULXSA-N 366.586 5.437 0 1 FKAF CC1=CC[C@H]2[C@H](C1)c1c(O)cc([C@@H](C)[C@H](C)C3CCCC3)cc1OC2(C)C 26671972 USDMFBBEDJJVQK-USNOLKROSA-N 368.561 6.933 0 1 FKAF Oc1cc(-c2ccccc2)c(OCC2CCCCC2)c(O)c1-c1ccccc1 40874620 WMKWJAYTUYAYLG-UHFFFAOYSA-N 374.480 6.391 0 1 FKAF CN1CCN([C@H]2C[C@H](c3cccc(F)c3)c3ccc(Cl)cc32)CC1(C)C 59940974 OVWCWUCMWSYGNV-CTNGQTDRSA-N 372.915 5.082 0 1 FKAF O[C@@]1(Cc2ccc3ccccc3c2)c2ccccc2-c2nc3ccccc3n21 72124811 UXJGZACQZSALOC-VWLOTQADSA-N 362.432 5.106 0 1 FKAF CCc1nc(-c2ccc(Cl)cc2Cl)c(OC)nc1NC(CC)CC 72176370 CZDXCYFFUNLEAG-UHFFFAOYSA-N 368.308 5.622 0 1 FKAF CCCCNc1ncc(-c2ncc(CC)s2)c(-c2ccccc2C)n1 82177062 JZYLYVXOZFZEGE-UHFFFAOYSA-N 352.507 5.350 0 1 FKAF Cn1c2ccccc2c2cc([C@H]3CC(c4ccc(F)cc4F)=NN3)ccc21 84689986 IZNQIPVRRXMFCT-LJQANCHMSA-N 361.395 5.048 0 1 FKAF CCCCCCSC[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100666299 YHSIOGBAMKKEDO-LWJVKQMYSA-N 354.556 5.295 0 1 FKAF C1=CN2C(=NC3=C(CCC/C3=C\c3cccs3)[C@H]2c2cccs2)S1 102973961 DSKUFLMIVNWNEB-HHNLSAEISA-N 368.552 6.262 0 1 FKAF Cc1cccc2ccc3c4c(ccc3c12)[C@](C)([C@@H](C)CCCC(C)C)CC4 111475558 UKMKQDKERXPFHR-DCFHFQCYSA-N 358.569 7.968 0 1 FKAF biogenic CCCCCSCC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169344778 AIXODEBHLBBHQA-CLCQPTCASA-N 354.556 5.295 0 1 FKAF CC/C=C\CCSC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169728562 YDJGESKTURUXSO-CLUGSSEWSA-N 352.540 5.071 0 1 FKAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1 586993248 VXZPRXSSKVERBF-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cncc(Cl)c2[nH]1 587074106 QAASPBRFZUNRHL-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF Clc1ccc(C2(c3nc4cc(Cl)c(Cl)nc4[nH]3)CCC2)cc1 587077930 ZPAVSCUPARESSN-UHFFFAOYSA-N 352.652 5.388 0 1 FKAF COc1cccc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)c1 587098976 WJPHVCYPSHRHLC-UHFFFAOYSA-N 365.432 5.739 0 1 FKAF O=C(O)c1cccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587124192 JEWCZEOGMNOPRU-RMKNXTFCSA-N 364.348 5.043 0 1 FKAF CCc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc2c1 587143888 BZHOTHARINUBFF-UHFFFAOYSA-N 374.415 5.605 0 1 FKAF CC(C)(C)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354874 RWEFWBPFANEGTE-CKJNBZMOSA-N 354.421 5.085 0 1 FKAF Cc1ccc2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355550 VHJKOQMRFMHQSE-VWNXMTODSA-N 374.411 5.040 0 1 FKAF Cc1ccc(Oc2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587402465 DFHNRJUUWFLVSP-QFIPXVFZSA-N 359.425 5.384 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1c(OC(C)C)ccc4ccccc14)[C@@H](C2)C3=O 587442856 ZCICZXPBPPZZEX-UUOWRZLLSA-N 374.436 5.124 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)CCC(C)(C)O3)CC2=O 587485256 USOIDTOJRWOLEN-OAQYLSRUSA-N 366.457 5.155 0 1 FKAF COc1ccccc1[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587521058 ADEVPHNKGPGXCB-XMMPIXPASA-N 364.485 5.481 0 1 FKAF CC/C=C\CCCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602025 IDGWJLGVRRKMTM-QODVLYDNSA-N 366.457 5.639 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2F)N1 587713200 BSXMPRLSCZUAOB-ZKANADHPSA-N 372.640 5.004 0 1 FKAF CCCCC/C=C\CC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821600 WEUAFPXHCVELSO-FJZGUFSMSA-N 368.334 6.080 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C)(C)[C@H]1CC[C@]2(C)C1 587829688 SEQOBEOBZDGNJR-RZNOAFHXSA-N 366.318 5.164 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccccc2o1 587865719 GNTJHTIBSHAKAO-UHFFFAOYSA-N 373.334 5.098 0 1 FKAF CC(C)(C)c1cccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587951401 ZKXBBENIGHVZEM-MSUUIHNZSA-N 368.480 6.823 0 1 FKAF C(=C1C2CC3CC(C2)CC1C3)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587967153 LPFOJHFTYBARJF-UHFFFAOYSA-N 356.469 6.195 0 1 FKAF Cc1nc(C)c(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)s1 653709121 IQVOGCPBMZLZNT-UHFFFAOYSA-N 365.911 5.386 0 1 FKAF COc1ccc2c(c1)[C@](C)(c1ccc(-c3ccc(F)cc3)cc1)N[C@H]1CC[C@H]21 962994433 KMQODTKHBQYIOO-VJTSUQJLSA-N 373.471 5.614 0 1 FKAF CCC(C)(C)[C@@]1(c2cccc(F)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963101675 DXAPRANQVVRTMD-NZQKXSOJSA-N 355.472 5.665 0 1 FKAF N[C@H]1CC[C@H](N[C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 1772636337 BINXOHRETRQOCW-XSDIEEQYSA-N 374.450 5.088 0 1 FKAF COc1ccc(-c2ccc3c(C)nc4oc(-c5ccccc5)nc4c3n2)cc1 1857608203 OJUAFYMZBMPPTP-UHFFFAOYSA-N 367.408 5.422 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(O)cc3)c3oc4cc(O)ccc4c3n2)cc1 1857763314 WFJVNQYLMQYIOL-UHFFFAOYSA-N 369.376 5.432 0 1 FKAF CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(COC(=O)C=Cc3ccccc3)=C[C@@H]21 2356374982 LSWGCBZTDVMNJK-VPJOFFEXSA-N 368.517 5.013 0 1 FKAF COc1c(CC=C(C)C)cc(C(=O)O)cc1CC=C(C)[C@@H](O)CC=C(C)C 2356643307 ORQPUUZRMCIOGB-NRFANRHFSA-N 372.505 5.108 0 1 FKAF Cc1ccc(-c2ccc(-c3cc4ncccc4c(NCCCN)n3)cc2)cc1 13489167 OAVRODHKGRKOPG-UHFFFAOYSA-N 368.484 5.033 0 1 FKAF O=Nc1c(-c2c(O)[nH]c3ccccc23)[nH]c2cc(Br)ccc12 13559449 RVWLZHDKLNTBLM-UHFFFAOYSA-N 356.179 5.182 0 1 FKAF CCOC(=O)COc1ccc([C@H](CC)[C@H](CC)c2ccc(O)cc2)cc1 27518737 ZJWNLGXSPSSPFC-RTWAWAEBSA-N 356.462 5.022 0 1 FKAF CCCCSc1cnc2c(c1)CC[C@@H](c1ccc(Cl)c(Cl)c1)O2 29342461 XJVXACYZTOBQHF-KRWDZBQOSA-N 368.329 6.347 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820807 MNNXWAHJIFSHLF-XRFOOGGDSA-N 374.565 5.571 0 1 FKAF CCCCCc1cc2c(c(C(=O)NC)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 45357965 MZHNUMCPWUODDN-IEBWSBKVSA-N 355.522 5.390 0 1 FKAF O=C1/C(=C\c2ccccn2)c2ccccc2N1c1c(Cl)cccc1Cl 72141080 FFOJPWLKCHNOJO-QINSGFPZSA-N 367.235 5.607 0 1 FKAF CCCCOc1ccc(-c2nc(CN[C@@H]3C[C@H](C)CC(C)(C)C3)co2)cc1 72181930 SELQFKLKFUYJGF-PKOBYXMFSA-N 370.537 5.825 0 1 FKAF Cc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2c2nc(O)cs2)cc1 169728203 RIEKSGPLBJUSNI-LJQANCHMSA-N 363.486 5.130 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc(F)c4F)nc13)-c1ccccc1C2=O 586994686 BZDDUMXCCUYERH-UHFFFAOYSA-N 357.359 5.700 0 1 FKAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Cl)cc(Cl)c2[nH]1 587026769 HTHPMCCQTWXDSB-UHFFFAOYSA-N 364.257 5.485 0 1 FKAF Cc1nc2c(s1)-c1nc3c(C)ccc4c3c(c1CC2)-c1ccccc1C4=O 587102824 ZCTUDSSILXILET-UHFFFAOYSA-N 368.461 5.285 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](OC(C)C)C3)c1 587364475 AYMHMJBPNFWSGD-LJQANCHMSA-N 359.425 5.679 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccccc2)C[C@@H](C)C1 587484462 SEOVEIKNFVAMST-SDWUMEBZSA-N 364.485 5.653 0 1 FKAF O=C1C[C@]2(CCC[C@@H]2c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587498255 DLXFSYQRBHZCTA-OFNKIYASSA-N 366.888 5.891 0 1 FKAF CC[C@@H](C)Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525284 UKEDATLKRDLKCI-QRQCRPRQSA-N 350.458 5.449 0 1 FKAF O=C1C[C@@H](c2ccccc2-c2cccs2)Oc2c1ccc1c2CCCC1 587530540 FSOWBRKYUHSWAK-NRFANRHFSA-N 360.478 6.000 0 1 FKAF C[C@@]1(CSc2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587530682 DGQSLKIYXPEDJL-NRFANRHFSA-N 372.917 5.735 0 1 FKAF Cc1cc(Cl)cc2c(-c3cccnc3)c(-c3ccc(Cl)cc3)[nH]c12 587624454 MORPAMWCYWNPMQ-UHFFFAOYSA-N 353.252 6.512 0 1 FKAF COC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(C)cc(Cl)cc12 587624727 SWUVXSLXRWBUDA-UHFFFAOYSA-N 367.754 5.602 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(F)cc3)c2c1 587639773 CLBOHUZTAHQABR-LLVKDONJSA-N 363.354 6.070 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2C(C)(C)C2(C)C)N1 587813835 FAIGVXTWTCGKOP-XTZNXHDOSA-N 354.307 5.020 0 1 FKAF Cc1ccccc1/C=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817909 FLANSMGNPZKXTA-PXPBSWCZSA-N 360.270 5.185 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C)(C)[C@@H]1CC[C@@]2(C)C1 587819608 VMWPALSTKQDQDB-DZUZHBOMSA-N 366.318 5.164 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 587930090 CMGCLQQRIPAVAX-UHFFFAOYSA-N 370.786 5.837 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2ccnc(Cl)c2[nH]1 587957391 ZETMKOYSVYOOKW-UHFFFAOYSA-N 365.905 5.530 0 1 FKAF C[C@H]1CCC[C@@]2(C1)c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961778850 SXIHSSMCEXEFAB-QMHKHESXSA-N 370.537 5.243 0 1 FKAF CC1CCN(CCCCN2c3ccccc3Sc3ccc(F)cc32)CC1 1857651971 MYJJYWZYYKNTRK-UHFFFAOYSA-N 370.537 5.941 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1ccccc1O 2356690553 BYPHBUWSWHXTDK-UHFFFAOYSA-N 366.589 8.080 0 1 FKAF C[C@@H]([C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)CCC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356743704 YPQWFHQFYCBUGH-JCCNSGJISA-N 371.653 6.766 0 1 FKAF O[C@H](c1ccc(-c2ccccc2)cc1)c1nc(-c2ccccc2Cl)c[nH]1 61928654 JICDBMADQLHTRE-OAQYLSRUSA-N 360.844 5.479 0 3 FKAF CCCC1CCC2(CCCN2CCOC(=O)Nc2ccc(F)cc2)CC1 205709526 MIZHDMNMRDGGDC-UHFFFAOYSA-N 362.489 5.199 0 3 FKAF C[C@]12C[P@@](=O)(c3ccccc3)C[C@@H]1c1ccccc1[C@@H]2c1ccccc1 5852960 USAJZDLDKCTBFR-DDRRAVBJSA-N 358.421 5.624 0 1 FKAF CCCCCCC(=O)Nc1c(Sc2cc(C)cc(C)c2)c(C)c[nH]c1=O 5882936 ATELNWKCCCUOGM-UHFFFAOYSA-N 372.534 5.360 0 1 FKAF CC(C)=CCC/C(C)=C/CCCN1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)C1 13756380 XPAVEAFHECYFMX-WFHBFMCOSA-N 361.614 5.968 0 1 FKAF CCN(c1nc(C)cc(C)n1)c1ccc(C(C)(C)C)cc1Br 13794607 BXGUUWNBLCCDDR-UHFFFAOYSA-N 362.315 5.311 0 1 FKAF C/C(=C\c1ncc(C(=O)O)s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 26649488 WGOHVXKUHRUIRK-GXDHUFHOSA-N 369.530 6.059 0 1 FKAF CCCC(=O)c1cnc2c(C)cccc2c1Nc1ccc(Cl)cc1Cl 26670009 HWXNTMGYUMUZRZ-UHFFFAOYSA-N 373.283 6.576 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CCCC)C[C@@H]21 27630222 SNJBVPORAMXGQE-WOJBJXKFSA-N 356.550 6.906 0 1 FKAF Clc1ccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c(Cl)c1 28898110 ZMLZUOZGWUIJMT-UHFFFAOYSA-N 373.070 5.607 0 1 FKAF O=C1C[C@H](c2ccccc2)c2c(ccc3cc(Cc4ccccc4)ccc23)O1 29151529 PTVBTNTZIPECNL-HSZRJFAPSA-N 364.444 5.872 0 1 FKAF Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(N)=O 29335799 FHIFMOLACZXXBL-UHFFFAOYSA-N 356.400 5.115 0 1 FKAF O[C@](c1ccc(Cl)cc1)(c1cccnc1)c1ccc(Cl)cc1Cl 72102230 JOIXDSPLNONJOO-GOSISDBHSA-N 364.659 5.326 0 1 FKAF Fc1ccccc1-c1nc(CNCC(c2ccccc2)c2ccccc2)co1 72182976 ZCYMUYNLJBTDFV-UHFFFAOYSA-N 372.443 5.402 0 1 FKAF c1ccc(COc2ccc([C@H](C3CC3)n3cnc4ccccc43)cc2)cc1 96938115 CPYDLXDQIBWTRK-DEOSSOPVSA-N 354.453 5.615 0 1 FKAF CCCCNc1ccc2c(c1)[C@@H]1C[C@@H]2CCN1C(=O)OCc1ccccc1 100616565 RDJMQSPYRINBCE-AVRDEDQJSA-N 364.489 5.470 0 1 FKAF COCOc1ccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)cc1 166608939 KUWUTTNYMHAOQK-VGOFMYFVSA-N 372.424 5.508 0 1 FKAF C1CC[C@H]2C[C@H](N3CCCN([C@@H]4CC[C@H]5CCCC[C@@H]5C4)CC3)CC[C@@H]2C1 253639821 UGLVJORGECAOIY-RCYYMIMJSA-N 372.641 5.712 0 1 FKAF CCc1nc2ccccc2n1CCCCOc1ccc2sc(C)nc2c1 473249385 WHEONRODBKDGMU-UHFFFAOYSA-N 365.502 5.376 0 1 FKAF Cc1c(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)oc2c1[C@H](O)CCC2 586905288 JDFMLSTXIWLVID-GFCCVEGCSA-N 370.758 5.173 0 1 FKAF CCCCCCc1nc2ccc(O)c3c2c(c1CC)-c1ccccc1C3=O 586991790 QJUGZZZPQOLTCX-UHFFFAOYSA-N 359.469 5.837 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc4ccccc4c3)nc3ccc(O)c1c23 586992732 YRSQBERWQMGSPU-UHFFFAOYSA-N 373.411 5.972 0 1 FKAF CC(C)(C)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586996812 ZKNBJHQZMOSSQU-UHFFFAOYSA-N 372.310 5.278 0 1 FKAF Cc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2c1C 587031939 WUYTUXXSJDVBGM-AWEZNQCLSA-N 361.514 6.139 0 1 FKAF FC(F)(F)c1cc2nc(CNc3ccccc3Cl)[nH]c2cc1Cl 587061978 MKDUVBJAYJKYQU-UHFFFAOYSA-N 360.166 5.501 0 1 FKAF FC(F)(F)Oc1cccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 587075970 LDVWNONREIFFOV-UHFFFAOYSA-N 366.770 5.585 0 1 FKAF Cc1c(Br)ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 587088054 SNMRKMRYPFKFIN-UHFFFAOYSA-N 360.642 5.436 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(Cl)cs4)nc13)-c1ccccc1C2=O 587101963 KGGIGCLGOJWQRD-UHFFFAOYSA-N 361.853 6.137 0 1 FKAF CCc1c(-c2ccc(OC)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587107384 RTMPVPDDCLJBJQ-UHFFFAOYSA-N 365.432 5.684 0 1 FKAF Fc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c(F)c1F 587122916 AERQGTYPPCULAX-ZZXKWVIFSA-N 374.309 5.763 0 1 FKAF Cc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1F 587162511 CIDTXYVOBREJRH-GDNBJRDFSA-N 352.409 5.800 0 1 FKAF COc1ccc(NC(C)(C)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 587201846 XPBGPNFOOZCFQS-UHFFFAOYSA-N 367.346 5.077 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2ccc3c(c2[nH]1)CCCC3 587240957 SNWZCIOTHAJQET-UHFFFAOYSA-N 369.468 5.861 0 1 FKAF Cc1cc(Br)c2[nH]c(-c3cc(N)cc4ccccc34)nc2c1 587251285 AYWDXQULGSUNBA-UHFFFAOYSA-N 352.235 5.036 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347852 BKYIQVKBMGPGQE-RBQRDFNRSA-N 354.421 5.085 0 1 FKAF Cc1cc2c(cc1Cl)[C@]1(C=CO2)CC(=O)c2ccc3c(c2O1)CCCC3 587502757 SXROSZBGDAIWKY-QFIPXVFZSA-N 366.844 5.294 0 1 FKAF CC(C)(C)c1cc(O)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587532697 MYMSBDHGMQCZAH-OAQYLSRUSA-N 350.458 5.275 0 1 FKAF O=C1C[C@H](c2ccc([C@H]3CCCCO3)s2)Oc2c1ccc1c2CCCC1 587532779 SOOFNEVHYOMOTR-RTBURBONSA-N 368.498 5.575 0 1 FKAF O=Cc1cc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2s1 587537608 ITAFLBDLKLOFNP-QGZVFWFLSA-N 368.479 5.361 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(O)cc3)c2c1 587642516 SZUSMLLOPKBQJT-LLVKDONJSA-N 361.363 5.637 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587820587 ATAKSFXTICDOLC-BFDPJXHCSA-N 368.334 5.410 0 1 FKAF CC[C@@H]1CC[C@H](C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824066 TWFSNDHCFBRHRN-NMFBSDBYSA-N 354.307 5.164 0 1 FKAF CC(C)Oc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587949449 GWDLGTUTZIWXIX-QINSGFPZSA-N 370.452 6.313 0 1 FKAF O=C(O)c1cc(F)cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587949931 NZRUXFJHDCENOD-KHPPLWFESA-N 374.371 5.363 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(Br)c(C)c2[nH]1 587950629 NFHBSRYKTOIZHS-KFNAQCHYSA-N 365.315 5.680 0 1 FKAF Fc1cccc(-c2ncc([C@@H]3c4c(F)cccc4C[C@H]4CCCN34)s2)c1 963097045 FGWCZLLCOZMPDG-OXQOHEQNSA-N 368.452 5.198 0 1 FKAF Cc1cc2c(s1)CN(c1cc(C)c(NC(=O)CC(C)(C)C)c(C)c1)CC2 1857768521 DZFGKYDXYVBUQX-UHFFFAOYSA-N 370.562 5.611 0 1 FKAF CC(C)=C[C@@H]1C[C@@](C)(C=Cc2ccc3[nH]ccc3c2)c2cc3[nH]ccc3cc21 2356607201 FAQRBHZNMOOHPZ-QFQXNSOFSA-N 366.508 7.074 0 1 FKAF COC1=CC2=NC1=Cc1ccc([nH]1)CCCCCCC[C@H](C)c1ccc2[nH]1 2356698261 OSVAYRLEBVNTTC-INIZCTEOSA-N 363.505 5.717 0 1 FKAF CC1(C)C2=CC[C@H]3[C@@H]4CC[C@H](OC5CC5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O 25963052 MRAKBRVMYBYECZ-PGYWIENUSA-N 358.566 5.494 0 1 FKAF CCN(c1ccccc1)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C 28366938 JSAQITMAOIKWHG-UHFFFAOYSA-N 373.500 5.408 0 1 FKAF Cc1cc(-c2ccc(-c3cc4cc(Cl)ccc4o3)[nH]2)c(C)cc1C(=O)O 29472236 YFHRPWWCLNDVFW-UHFFFAOYSA-N 365.816 6.063 0 1 FKAF Cc1ccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc(C)cc3)C2)cc1 33421986 SHKIDIPLADPFRX-YGMDYZATSA-N 352.481 6.324 0 1 FKAF O=C1Nc2c(ccc(Cl)c2Cl)/C1=C/c1ccc(C(F)(F)F)cc1 45302240 VVVXHARGTONSKR-XFFZJAGNSA-N 358.146 5.505 0 1 FKAF CCO[C@H](c1ccc(C(F)(F)F)cc1)[C@@H](OC(C)(C)C)n1cnc(C)c1 45355895 OZBDUANXCWNNPS-IAGOWNOFSA-N 370.415 5.302 0 1 FKAF CCc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2cccc(C)c2)s1 82173018 PZUCAQJIEWYLQE-UHFFFAOYSA-N 366.534 5.230 0 1 FKAF O=C(NCc1ccc(Cl)cc1)N1c2ccccc2Oc2ccccc21 95578084 NWQIONLRQYGDAT-UHFFFAOYSA-N 350.805 5.494 0 1 FKAF CC(C)(NC(=O)Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 95579094 XITOHTVDJHEGNI-UHFFFAOYSA-N 364.876 6.064 0 1 FKAF c1ccc(-c2cc3c(CN4CCC(N5CCCCC5)CC4)cccc3o2)cc1 144290846 PBZFVNCEUTUVME-UHFFFAOYSA-N 374.528 5.550 0 1 FKAF O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc(Cl)c1 169702022 ATHCWKUWRUPNLF-NRFANRHFSA-N 360.844 5.332 0 1 FKAF CCc1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1CC 586878141 AJMWUJLKTNYNIC-UHFFFAOYSA-N 352.787 6.027 0 1 FKAF Clc1cc(Br)cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586886049 ZAURMFUOAQHVHK-WOLPVMLTSA-N 365.702 5.447 0 1 FKAF Cc1c(Cl)ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 586900482 KLFJTVCBEZFHBZ-UHFFFAOYSA-N 366.804 5.176 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586963857 RAFFRXGRKNGVFJ-SNVBAGLBSA-N 370.827 6.230 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 586963866 RGUOIWAAPQDTFL-LLVKDONJSA-N 352.381 5.456 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1C[C@H]3[C@@H]2CCC[C@@H]12 586990959 PDKMBPYGOKLWFI-AVRGHOLYSA-N 353.421 5.153 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587069876 LPLBJRQZGPIFEE-SECBINFHSA-N 367.758 5.007 0 1 FKAF CCC[C@@H]1CC(C)=Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587102173 YYZWPYLQNXWJEC-MRXNPFEDSA-N 353.465 6.445 0 1 FKAF COc1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587152224 YAPKCXREBRSSEK-FQEVSTJZSA-N 366.367 5.018 0 1 FKAF CC(C)(C)OC(=O)NCCc1c(-c2ccccc2)nc2cccc3c2c1CC3 587213361 QQVBHTGLUKSWOJ-UHFFFAOYSA-N 374.484 5.068 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C3CC3)c1F)CC2=O 587467040 PQYCSKCTZPBXTJ-QFIPXVFZSA-N 354.421 5.242 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3c1CCCC3)CC2=O 587490754 UPYKZTPEYMLXHK-HSZRJFAPSA-N 350.458 5.104 0 1 FKAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CC[C@H]2Cc2ccccc2C1 587529322 NSGRRBMCEAHFQZ-PMACEKPBSA-N 358.481 5.094 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C23CCC(CC2)CC3)N1 587816412 XXEOFBAIXWTYMX-RBNSSNJBSA-N 366.318 5.308 0 1 FKAF Cc1cc2c(n1Cc1nc3ccccc3n1Cc1cccc(F)c1)CCCC2 587944856 HYVZKKPZWXWZBI-UHFFFAOYSA-N 373.475 5.261 0 1 FKAF Clc1ccc2c(n1)[C@@]1(CCC2)NCCc2cc(-c3ccccc3)ccc21 962662976 DGHPHFYMIOAUFM-QHCPKHFHSA-N 360.888 5.128 0 1 FKAF C[C@@H]1C[C@@H]2[C@@H](C[C@]13c1ccsc1CCN3C(N)=O)C(C)(C)CCC2(C)C 962710549 MFMOWXDEGAZEQI-XCMNSTNTSA-N 374.594 5.389 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccccn1)c1cc(C)ccc1C 963241645 NCXFKJNBTBNMFO-LVXARBLLSA-N 370.540 5.647 0 1 FKAF CC(C)C=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356636527 LLZNEPOHLDVAHJ-UUBDCMHRSA-N 370.621 7.063 0 1 FKAF C[C@@H]1OC(=O)[C@@H](CCCCCCCCCCCCCc2ccccc2)[C@@H]1O 13462008 PBJHEIRFTYGACF-ACIOBRDBSA-N 374.565 5.833 0 1 FKAF biogenic CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](C)C(=O)NCCC 13761113 SVGIWYPVOLFGAQ-PZSIIWHGSA-N 359.598 6.904 0 1 FKAF CC(=O)c1c(O)cc(O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O 15214307 NUSMNXVXTBPRRY-JTCWOHKRSA-N 372.505 5.968 0 1 FKAF C/C(=C\CO)CC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 15253721 QVAALZYWZYXTTP-ZMLKYUJQSA-N 364.658 8.091 0 1 FKAF endogenous,in-man CCCCCCC1(c2ccc(-c3cc(C)cc(C)c3)c(O)c2)CCCCC1 28822072 FQXHXCCEMXXMEZ-UHFFFAOYSA-N 364.573 7.848 0 1 FKAF O=C(c1ccc(NCc2ccco2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 64549913 XLXCXSXSOSKIKT-WOJBJXKFSA-N 351.833 5.532 0 1 FKAF FC1CCN(Cc2cccc(-c3nc(-c4cccc(Cl)c4)c[nH]3)c2)CC1 66258663 MTCIULBIXFOUOR-UHFFFAOYSA-N 369.871 5.331 0 1 FKAF Cc1ccc2nc(-c3ccc(F)cc3)n([C@H]3CCCN4CCCC[C@H]34)c2c1 143665944 PXWAXMHUSGBDPN-RTWAWAEBSA-N 363.480 5.340 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(O)c3)nc(-c3ccccc3O)c2)cc1 299828514 JRVALYQWMPRZPG-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(C(F)(F)F)cnc2[nH]1 586878556 JPZGNEQPSHWUKT-UHFFFAOYSA-N 353.347 5.619 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(C)cc(C)cc4[nH]3)cc2)CC1 586879687 HMUFWCXHBVUDCJ-MXVIHJGJSA-N 360.545 7.311 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CCCC[C@H]31 586992208 ZQAYMMMYQIFJFB-KBPBESRZSA-N 355.437 5.372 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(F)c(F)c4O)nc13)-c1ccccc1C2=O 586996728 RTGJAKYIPZEYHF-UHFFFAOYSA-N 373.358 5.405 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc(F)cc4[nH]3)c21 587030881 MBPSSVMVZSRRPH-LLVKDONJSA-N 352.438 5.056 0 1 FKAF Oc1nccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587050436 QJPBFPQTMURXMT-UHFFFAOYSA-N 371.827 5.804 0 1 FKAF FC(F)(F)Oc1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587053296 BQAYHFNEYVUTPM-QPJJXVBHSA-N 373.161 5.939 0 1 FKAF Cc1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587071644 MGBNPXWQZHRUQR-IDHPINMPSA-N 371.311 6.544 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(N)ccnc2[nH]1 587072536 RTTXVAQSTDJHTG-PQEBEJDBSA-N 373.287 5.213 0 1 FKAF O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccc(Cl)c(Cl)c2)C1)CC4 587208812 AZXFNGJXENBQGL-HNNXBMFYSA-N 368.263 5.287 0 1 FKAF COc1cccc(-c2cc(-c3cnc(C)nc3)nc3c2oc2ccccc23)c1 587362934 JRADBERHIAOJEK-UHFFFAOYSA-N 367.408 5.422 0 1 FKAF CC[C@H](C(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587366721 YYCLRJIKVXBXSA-QGZVFWFLSA-N 359.425 5.739 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1C)CC2=O 587478199 BLGSOOQVMDPURH-VWLOTQADSA-N 372.464 5.562 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)C[C@@H](c2ccccc2)C1 587484454 SEOVEIKNFVAMST-BUKPSGGLSA-N 364.485 5.653 0 1 FKAF CC(C)[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587525749 PJMZGXUJCZUAKH-DEOSSOPVSA-N 359.469 5.563 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 587564932 QFYJWVOVMVNNQG-UHFFFAOYSA-N 364.276 5.531 0 1 FKAF CCOC(=O)c1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)c1ccccc1F 587639939 AVPJQSZNRMLOCG-ZDUSSCGKSA-N 367.420 5.228 0 1 FKAF CC[C@H](c1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820768 QTWJJAWEMRKGKQ-PEELUZDISA-N 362.286 5.357 0 1 FKAF CCCC/C=C/C=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821612 WMGAYYZITXCTES-WZHAGQGLSA-N 352.291 5.466 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cs2)N1 587844477 ARUAYBXAWXAJHQ-VXJOIVPMSA-N 374.706 5.101 0 1 FKAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@H]2c1ccccc1C1CC1 962696962 HIAADGPWIQFIFG-KSFYIVLOSA-N 353.506 5.156 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2C)(C2CCCCC2)N1 962953298 QPVVARURJDGVRT-IBVKSMDESA-N 372.556 6.225 0 1 FKAF COc1ccc(F)c(-c2c(Cl)ncn2-c2ccc(Cl)cc2)c1F 1772570557 QVJMRBSRLFBMGJ-UHFFFAOYSA-N 355.171 5.133 0 1 FKAF CC1=C2[C@H](/C=C(\C)C(=O)NCCc3ccc(F)cc3)CC[C@@H](C)[C@H]2CC1 1772652217 BGEKALKTMWNTQD-RFIQQHCTSA-N 355.497 5.203 0 1 FKAF N=c1[nH]c(-c2ccc(Cl)c(Cl)c2)c(-c2ccc3ncccc3n2)s1 1857646411 RZJLLJHSPKMODS-UHFFFAOYSA-N 373.268 5.140 0 1 FKAF CCC=CC=CC=CCCC=CC[C@@H](C(=O)O)[C@@]12C=C[C@H]3[C@H]4[C@@H](C[C@H]31)[C@H]42 2356663733 TVVSGJJGORSLDY-KWTHKWNPSA-N 350.502 5.560 0 1 FKAF CCO[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@@H](C)[C@]21C 2356691703 TWEHZCXWBLXVIK-XCMXTQDQSA-N 360.494 5.152 0 1 FKAF Cc1ccc(Nc2nc(NCc3cccs3)nc3ccsc23)c(C)c1 61906790 XTTHNUZTYKSGJM-UHFFFAOYSA-N 366.515 5.725 0 3 FKAF CC(C)CNC(=O)c1c(C(C)(C)C)noc1-c1cccc2ccccc12 776296 XYOSTQAOIYPOJM-UHFFFAOYSA-N 350.462 5.178 0 1 FKAF CCc1cc(-c2onc(C(F)(F)F)c2-c2ccccc2)c(O)cc1OC 1278307 DAKKNGVKCSCVQU-UHFFFAOYSA-N 363.335 5.304 0 1 FKAF CC(C)=CCc1c2c(cc3c1O[C@@H](c1ccccc1)CC3=O)C=CC(C)(C)O2 13460395 VBTDTADYYPMGAF-JOCHJYFZSA-N 374.480 6.086 0 1 FKAF biogenic CCCCC[C@H](C)OC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C 13738028 MXQMBLGAVBSISP-INIZCTEOSA-N 363.498 6.127 0 1 FKAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(C)cc(C)cc1C 13742182 HSLKFIPWTKMFBG-UHFFFAOYSA-N 362.473 5.895 0 1 FKAF CCN(CC)CCSC1=Cc2ccccc2Oc2ccc(SC)cc21 27557651 CJMWRASALJTHFV-UHFFFAOYSA-N 371.571 6.087 0 1 FKAF CC[C@H]1CCCCN1CCC[C@@H]1[C@H]2CCCC[C@@H]2C[C@@H]2C(=O)O[C@@H](C)[C@@H]21 28006658 WZYQNTPWCRAGPJ-CNOZFFSMSA-N 361.570 5.035 0 1 FKAF O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2cccnc2)o1 29136240 PERAMGSTEPXFQV-UHFFFAOYSA-N 354.409 5.219 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cnc(C)c1C 45366471 AWDICAUUCMTSSA-ZWKOTPCHSA-N 366.958 5.961 0 1 FKAF CC(C(=O)Nc1ccccc1-c1ccccc1)(C(F)(F)F)C(F)(F)F 68575148 CHGGBAMLIQDNER-UHFFFAOYSA-N 361.285 5.423 0 1 FKAF biogenic CC(C)(C)c1cc(C(C)(C)CNCc2ccccc2)cc(C(C)(C)C)c1O 95558193 MXHNPIHSSMHELW-UHFFFAOYSA-N 367.577 6.055 0 1 FKAF Cc1cncc(C2=CC[C@H]3[C@@H]4CC(=O)[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)c1 141029786 UXKNOTFQXCROJD-JCKJGOETSA-N 363.545 5.995 0 1 FKAF Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)[C@@H](C)C3)cc2)c1C 169356668 ONMSNZLMBSAGLW-KRWDZBQOSA-N 374.532 5.044 0 1 FKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@]12C 255222230 KBCDSNLTAKWEDU-SAUIGJIUSA-N 372.637 6.855 0 1 FKAF Cc1c(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905245 ICGPAKZLQHNEBS-NSHDSACASA-N 370.758 5.173 0 1 FKAF O=c1ccc2cc(-c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)ccc2o1 586916736 ZIABYCMUVAQYMP-UHFFFAOYSA-N 364.710 5.009 0 1 FKAF Cc1c(-c2ccc(F)c(F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987286 VDJDRCWDHQEDSZ-UHFFFAOYSA-N 373.358 5.405 0 1 FKAF COc1cccc(-c2ccc(-c3nc4cc(C)cc(C)c4[nH]3)c(Cl)c2)c1 587051345 CBTKCCKKMXVYOA-UHFFFAOYSA-N 362.860 6.176 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cnccc2[nH]1 587070278 GWPZOVPVQRCLJG-UHEBOXKZSA-N 358.272 5.631 0 1 FKAF CC(C)(C)c1cccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083410 SGGMFRZLLGNFNY-UHFFFAOYSA-N 370.283 6.382 0 1 FKAF CCc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587095183 RGDXQPCTZIRVFH-UHFFFAOYSA-N 358.285 5.830 0 1 FKAF Cc1ccc2c3c(cc(CCCCCCC(=O)O)nc13)-c1ccccc1C2=O 587100300 FYJWIFQVNFICJS-UHFFFAOYSA-N 373.452 5.332 0 1 FKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cc(F)cnc4[nH]3)c2)c1 587141408 QYWRXPKSQHSXRC-UHFFFAOYSA-N 371.387 5.335 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)cc1 587241865 CBRRWTXNMUDKRF-UHFFFAOYSA-N 371.227 5.381 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(c1ccccc1)CC2=O 587479230 CLLPPFNAAQVZEC-RUZDIDTESA-N 372.464 5.448 0 1 FKAF CCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587508825 UAUVRPYUFVSWJM-OAQYLSRUSA-N 370.876 5.714 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCCCCCCCC2 587602957 KDPQUDOAWVRDDF-FQEVSTJZSA-N 366.457 5.617 0 1 FKAF CCCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587817389 BQRLXVPDKJNYQO-BUXKBTBVSA-N 362.286 5.164 0 1 FKAF COc1ccc2c(c1)O[C@H](c1ccc(O)cc1)C[C@@H]2C=Cc1ccc(O)cc1 2356612002 RDUYMQQGTUMXQZ-MBSDFSHPSA-N 374.436 5.427 0 1 FKAF CC(C)=CCc1c(O)cccc1C(=O)c1cc2c(cc1O)OC(C)(C)C=C2 13411963 KOJDUQIWHNYJEM-UHFFFAOYSA-N 364.441 5.022 0 1 FKAF biogenic,in-vitro CCCCCC(=O)Oc1nc(-c2ccccc2)sc1-c1ccccc1 13822606 HQKAVFKKTZEFLJ-UHFFFAOYSA-N 351.471 5.963 0 1 FKAF in-vivo CN(C)CCCN1c2cc(C(F)(F)F)ccc2Sc2sccc21 26970787 ZBXISTBWUWBJRU-UHFFFAOYSA-N 358.454 5.321 0 1 FKAF CC1(C)C(C(=O)c2cn(CCc3ccsc3)c3ccccc23)C1(C)C 35930602 KWTXZVBKQWNQBB-UHFFFAOYSA-N 351.515 5.810 0 1 FKAF C1=C2C(=C(c3ccccc3)c3ccccc32)CN(CCCN2CCCCC2)C1 39223514 KSTRRJVZPPYWRU-UHFFFAOYSA-N 370.540 5.077 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)c1cnccc1-2 45196044 NJJWRIIXAACDRY-JKSUJKDBSA-N 353.506 6.402 0 1 FKAF CCN1CCC(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)=C[C@H]1C 49071726 ASPRKFLJNYTNON-MRXNPFEDSA-N 361.464 5.380 0 1 FKAF Clc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1Cl 68584036 CUDOFFKWICGYJW-UHFFFAOYSA-N 371.292 7.014 0 1 FKAF biogenic c1ccc2c(CCCCN3[C@@H]4CC[C@@H]3c3c([nH]c5ccccc35)C4)c[nH]c2c1 100757926 XNMOWIHSJLFIBW-HOYKHHGWSA-N 369.512 5.734 0 1 FKAF O=C(O)CCc1ccc2c(c1)c(Cc1ccccc1)cn2-c1ccccc1 142458861 ZGZNSFCEHWHAPP-UHFFFAOYSA-N 355.437 5.239 0 1 FKAF COc1cc2c(Cc3ccc4nc(C)ccc4c3)cnc(C)c2cc1OC 145138356 DOFUHGAMWMTVRX-UHFFFAOYSA-N 358.441 5.008 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)CC(F)(F)F 169289850 JXJKPSPTRKXBBX-AVHBIOJASA-N 370.499 7.654 0 1 FKAF CCCCCc1cc(OC)c([C@H]2[C@H]3CC[C@@](C)([C@@H]2O)C3(C)C)c(OC)c1 198457339 QLWFTMSARKCILR-WACMXJRTSA-N 360.538 5.337 0 1 FKAF CCSCCCCN[C@@H](CC(C)C)C1(c2ccc(Cl)cc2)CCC1 219110454 RRPTVDCSIRLPCO-FQEVSTJZSA-N 368.030 6.299 0 1 FKAF CC(C)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1 224868286 APGOHRPTJLNZEH-UHFFFAOYSA-N 364.489 5.581 0 1 FKAF COc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2c1 587031021 NPRJFMOCESXRQO-ZDUSSCGKSA-N 363.486 5.531 0 1 FKAF Cc1cc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2cc1C 587062831 BEFXRJCMPSRQDU-UHFFFAOYSA-N 362.860 6.079 0 1 FKAF Nc1ccc2oc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cc2c1 587252198 ACRJVPKGDZZNDW-UHFFFAOYSA-N 355.397 5.137 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1cccc(Oc4ccc(C)cc4)c1)[C@@H](C2)C3=O 587441758 IOHKGGDHSUTCMY-GBXCKJPGSA-N 372.420 5.285 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(O[C@@H](C)CC)c1)CC2=O 587478381 ARUACPIZWFFMIS-QKKBWIMNSA-N 354.446 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2occ(C)c21 587484112 RXIGKIWLVDPQBA-JOCHJYFZSA-N 354.446 5.079 0 1 FKAF O=C1C[C@H](c2ccnc3ccc(Cl)cc23)Oc2c1ccc1c2CCCC1 587501167 QZSWBXSMUMRHJE-OAQYLSRUSA-N 363.844 5.474 0 1 FKAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)cc1 587629881 MHPQLZBIVFQHEG-UHFFFAOYSA-N 355.718 5.681 0 1 FKAF Cc1ccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587800136 AHROPKVINHUTLA-WLRWDXFRSA-N 373.269 5.002 0 1 FKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587928981 FOIIDXZAZDAGJK-FZKQIMNGSA-N 364.342 5.175 0 1 FKAF FC(F)(F)c1cccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955287 GXKONDXWEUBSLP-QGZVFWFLSA-N 366.386 5.956 0 1 FKAF CC(C)N(Cc1ccccc1)CC(C)(C)C(=O)c1ccc2ccccc2c1 653853915 FRBZJANDDIDKFB-UHFFFAOYSA-N 359.513 5.959 0 1 FKAF CC(C)CC[C@@]1(C(C)(C)C)c2cccc(F)c2CCN1[C@H]1CCSC1 962694871 FFIXQDSAYDYUKC-JTSKRJEESA-N 363.586 5.867 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)nc3c2Cc2ccc(O)cc2-3)cc1 1857565390 QRERIYNEEBRSRM-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1cn(C)nc1-2 1857605857 HCCPRPIMAROCOR-UHFFFAOYSA-N 370.537 5.971 0 1 FKAF COc1cc(OC)c2c(-c3cccc(-c4cccc(C)c4)c3)cc(=O)oc2c1 13814124 XFNLJRDTRMHIEY-UHFFFAOYSA-N 372.420 5.453 0 3 FKAF aggregator C=C/C=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C 13524484 ZLFZRFFZFFSSEP-LFCTWGEHSA-N 356.594 7.866 0 1 FKAF Cc1c(C(=O)NCc2ccccc2)nc2ccccc2c1-c1ccccc1 13525332 NASCCIIJTKUYKE-UHFFFAOYSA-N 352.437 5.140 0 1 FKAF O=C(CCCCCCOc1ccc(Oc2ccccc2)cc1)C(F)(F)F 13860582 ZZPVOJAAHDFZNF-UHFFFAOYSA-N 366.379 5.940 0 1 FKAF in-vivo CCCCCc1cc2c(c(O)c1C(=O)O)[C@@H]1CC(C)=CC[C@@H]1C(C)(C)O2 14722861 YKKHSYLGQXKVMO-CVEARBPZSA-N 358.478 5.434 0 1 FKAF biogenic COc1ccc2c(Cc3ccc(F)cc3)ccc([C@H](C(=O)O)C(C)C)c2c1 26645002 CRTJUEAEZFDKEA-JOCHJYFZSA-N 366.432 5.403 0 1 FKAF CN(CCCCN1c2ccccc2CCc2ccccc21)Cc1ccccc1 26651250 CHLLDENMCUPFLH-UHFFFAOYSA-N 370.540 5.836 0 1 FKAF C1C2CC3CC1CC(Nc1nnc(C45CC6CC(CC(C6)C4)C5)s1)(C2)C3 28654863 DKWTXPZEIASXRU-UHFFFAOYSA-N 369.578 5.387 0 1 FKAF CCCCCCC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 39054220 IXGQGOKWSSZLJO-UFYKXHCUSA-N 366.545 5.980 0 1 FKAF O=c1oc(-c2ccccc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1 40424368 LPSAPTNHRCGVLV-UHFFFAOYSA-N 356.377 5.052 0 1 FKAF O=C(c1cccc(-c2cccc(F)c2)c1)N1CCc2c([nH]c3ccccc23)C1 40846785 DNQCJRNLJMCKBQ-UHFFFAOYSA-N 370.427 5.173 0 1 FKAF Clc1ccc(-c2cc(-c3ccsc3)nc(-c3ccccc3Cl)c2)o1 45339440 ACMCAICMEHVJKG-UHFFFAOYSA-N 372.276 7.044 0 1 FKAF CCCCN(C(C)=O)c1ccc2c(c1)[C@H]1C[C@@H]2CCN1Cc1ccccc1 61924187 VUVVUBCWFOOBRD-GBXCKJPGSA-N 362.517 5.274 0 1 FKAF COc1c([C@H](C)n2cnc3cc(Cl)ccc32)ccc2c1C=CC(C)(C)O2 72181620 GNHOSKMDPUEGKC-ZDUSSCGKSA-N 368.864 5.492 0 1 FKAF Fc1cccc(Oc2cc(NCc3ccccc3C(F)(F)F)ncn2)c1 82067345 XGVCOSXFSSZXAM-UHFFFAOYSA-N 363.314 5.039 0 1 FKAF CCCCc1ccc(-c2cc(NCc3ccc(F)c(F)c3)ncn2)cc1 82160459 VORNMNZXPXWAQW-UHFFFAOYSA-N 353.416 5.377 0 1 FKAF O=C(Nc1cccc(Cl)c1)Nc1cc(C2CCC2)nn1-c1ccccc1 96273848 TVNJCCQHEJCRNN-UHFFFAOYSA-N 366.852 5.437 0 1 FKAF C[C@H]1C[C@H]2[C@@H](C1)[C@]2(c1cccc(Cl)c1)N1CCN(c2ccccc2)CC1 101511250 HQUMRIMZYIEYKN-WKJJFCIUSA-N 366.936 5.033 0 1 FKAF C/C=C(/C)C(=O)O[C@@H]1C/C=C(\C)CCCC(C)(C)[C@@H](OC(C)=O)/C=C\1C 102064869 DJZAMDRFIUQAJH-AGGZLJBWSA-N 362.510 5.289 0 1 FKAF CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C)s2)C2=C(O)CCCC2=N1 103873101 UXONDMGIPZPFRA-FQEVSTJZSA-N 371.502 5.351 0 1 FKAF COc1cc2cncc(Cc3cc4ccccc4nc3Cl)c2cc1OC 145137553 LUHRJTCZTBMBGB-UHFFFAOYSA-N 364.832 5.044 0 1 FKAF CCOc1ccc(C2=C(c3ccccc3)CCCc3cc(O)ccc32)cc1 169353723 KJTZITGZMHOKOP-UHFFFAOYSA-N 356.465 6.086 0 1 FKAF CCC/C=C/CSC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169360443 QXBFRDGMYMBQMJ-POGDJOTMSA-N 352.540 5.071 0 1 FKAF COc1cc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c2cc1C 586881111 SJXZVUCUUKWYLP-UHFFFAOYSA-N 356.425 5.417 0 1 FKAF Cc1ccc(SCc2nc3ccc(OC(F)(F)F)cc3[nH]2)c(C)c1 586963474 JUCOKUGCHDQROR-UHFFFAOYSA-N 352.381 5.371 0 1 FKAF CCc1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1 587047056 AAAVCGHVELXQFB-UHFFFAOYSA-N 367.279 6.766 0 1 FKAF Clc1ccccc1-c1ccc(Cc2nc3cc4cn[nH]c4cc3[nH]2)cc1 587062182 DOVNCXZFEFFLCQ-UHFFFAOYSA-N 358.832 5.350 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 587070735 WAHDBVDVLICKAB-ZDUSSCGKSA-N 352.865 5.472 0 1 FKAF Cc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1Cl 587076701 LUTHOIROXMTPIF-UHFFFAOYSA-N 373.243 5.013 0 1 FKAF COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1O 587097635 MSLCTCJMZHOEFK-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF COc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Cl 587113593 NQICQXMLFYFDMP-SNVBAGLBSA-N 368.786 5.590 0 1 FKAF Cc1cccc(COc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c1 587214526 RRFUHEIJVXBDFY-UHFFFAOYSA-N 351.449 5.888 0 1 FKAF O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)c1coc2ccccc12 587280878 FNGHQOUVBLLAKE-UHFFFAOYSA-N 358.237 5.701 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)c(Cl)cc(C)c1Cl)O2 587374908 KIVBWKXXGBGYQY-IBGZPJMESA-N 364.272 5.381 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OC3CCCCC3)cc1)O2 587403192 KTWZXAJHBOCKAV-QHCPKHFHSA-N 365.473 5.169 0 1 FKAF CC(C)[C@]1(c2cc3ccccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587533330 PMSIJXGLUYTDDH-DEOSSOPVSA-N 360.453 5.828 0 1 FKAF C[C@]1(CCC2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604153 UPYYHPMQMYZEBM-SIKLNZKXSA-N 352.430 5.083 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2s1 587616934 HOALULSXQBSQQS-DENIHFKCSA-N 374.417 5.310 0 1 FKAF O=C(c1ccc(Cl)c(Cl)c1)c1c(C(F)F)[nH]c2cc(F)ccc12 587633702 JQTWJOHGDLRBPH-UHFFFAOYSA-N 358.146 5.782 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccccc2F)N1 587725045 BICDAIZLEYQCIQ-CHWGLKMVSA-N 364.233 5.016 0 1 FKAF Cc1cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587821430 VABLFJMMAXAETD-BFUOFWGJSA-N 362.286 5.137 0 1 FKAF CC[C@]1(Cc2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587853734 RETAESSJKUZMOL-PIGZYNQJSA-N 368.315 5.032 0 1 FKAF CC1(C)CCC[C@@]2(C)C1=C[C@H]1C(=O)O[C@H](c3ccc(Cl)c(Cl)c3)[C@H]12 653806079 RSRVREKKDVYQRY-VWHWKWRLSA-N 365.300 5.980 0 1 FKAF CCc1ccc([C@@H]2CCC[C@@]3(C2)N[C@H](CC)Cc2c3[nH]c3ccccc23)cc1 962942880 CSRNGICTMQUMDC-YPCDYVTLSA-N 372.556 6.208 0 1 FKAF O=C(O)CCc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)o1 1857570080 PLZNGFUUTCVSOM-UHFFFAOYSA-N 362.212 5.333 0 1 FKAF O=C(Nc1ccc2sc(-c3ccc(F)c(F)c3)nc2c1)N1CCCCC1 1857628685 DKCKKHJHWKRWRG-UHFFFAOYSA-N 373.428 5.259 0 1 FKAF CC(=CCC[C@@]1(C)CCc2c(C)cc(O)cc2O1)CCC=C(C)C(=O)O 2356571949 KPGLBIOCBVOVMN-QFIPXVFZSA-N 358.478 5.322 0 1 FKAF C[C@H](C=CC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 2356791366 GPCPYOKNADTDDL-JZPZWAJLSA-N 354.490 5.141 0 1 FKAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=N)N)CC[C@]4(C)[C@@H]3CC[C@@]12C 254100940 BVOSELRYSDLZIT-YUINZIOUSA-N 374.594 5.150 0 3 FKAF CCCCCC[C@@H](N)Cc1ccc(OC)c(OCCc2ccccc2)c1 13801100 ATWSAMSDOYXNEX-OAQYLSRUSA-N 355.522 5.157 0 1 FKAF O=C1N(CCCCCCOc2ccc(Cl)cc2)CCN1c1ccccc1 29401534 MUXSUGUSDKNOMJ-UHFFFAOYSA-N 372.896 5.221 0 1 FKAF Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1-c1ccc(Cl)cc1 31871237 BLVFWOZMTGSELI-UHFFFAOYSA-N 374.846 6.457 0 1 FKAF CC(C)(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@]1(C)C[C@H]1C1CCCCC1 38179240 SLBCYAVRCBSFCW-NNMXDRDESA-N 361.957 6.150 0 1 FKAF COc1cc2nccc(Oc3cc(C)c(Cl)cc3C(C)=O)c2cc1OC 40973752 KDPORFRLXYMHCG-UHFFFAOYSA-N 371.820 5.209 0 1 FKAF CC(=O)CCCc1c(Br)oc2ccc3c(c12)CCC(C)(C)O3 42921298 MQVLPCHVFFWJMO-UHFFFAOYSA-N 365.267 5.211 0 1 FKAF N=C(N)c1cc2cc(-c3cccc(OCCc4ccccc4)c3)ccc2s1 45390782 BVYUHVHWZYUWRD-UHFFFAOYSA-N 372.493 5.474 0 1 FKAF O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(Cl)cc2)cc1 96908280 VHDBTNWKGVYASI-FQEVSTJZSA-N 352.817 5.082 0 1 FKAF CCCCN(C(C)=O)c1ccc2c(c1)[C@@H]1C[C@@H]2CCN1Cc1ccccc1 103056994 VUVVUBCWFOOBRD-RDPSFJRHSA-N 362.517 5.274 0 1 FKAF Cc1cc(C2=NN[C@@H](c3cc4cccc(C)c4nc3Cl)C2)c(C)s1 103205152 WXXHNOOHMOGPNY-QGZVFWFLSA-N 355.894 5.314 0 1 FKAF Cc1cc(N2CCc3ccsc3C2)cc(C)c1NC(=O)CC(C)(C)C 207507337 XHWGIJWEJMMALH-UHFFFAOYSA-N 356.535 5.302 0 1 FKAF CC(C)=CCC[C@@](C)(O)[C@H]1C/C=C(\CO)CC/C=C(/C)CC/C=C(\C)CC1 238759343 PHHSGMBMOUQBFV-WJYLLEABSA-N 374.609 6.656 0 1 FKAF CCCCCSCC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253636717 AIXODEBHLBBHQA-QWQROMQYSA-N 354.556 5.295 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 586962738 GZZOWAOWMHTQOY-LLVKDONJSA-N 352.381 5.456 0 1 FKAF CC(C)(C)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 587081599 RBXZJGCQIBMQNA-UHFFFAOYSA-N 355.869 5.114 0 1 FKAF Cc1cnc2[nH]c(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)nc2c1 587082708 CFPCAYRMWGOBCH-UHFFFAOYSA-N 374.831 5.703 0 1 FKAF Cc1ccc2c3c(c(Cc4ccc(O)cc4)cnc13)-c1ccccc1C2=O 587101420 NAIDGNLKUHZIJT-UHFFFAOYSA-N 351.405 5.051 0 1 FKAF CSc1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2c1 587241831 KOALACUBSSWMAN-UHFFFAOYSA-N 371.462 5.004 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCC3CCCCC3)c1)O2 587401791 YNJHMSUAIDXWOQ-JOCHJYFZSA-N 365.473 5.243 0 1 FKAF CCCCCCOc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587440926 IOHCMMUZBXDVMJ-AUSIDOKSSA-N 366.457 5.143 0 1 FKAF CC[C@]1(CCCC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598581 BRBJVWBVOLESJY-DENIHFKCSA-N 354.446 5.329 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1CCC1 587602925 LQMZPQTZCNEYBM-URXFXBBRSA-N 372.420 5.049 0 1 FKAF Fc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3cccc(F)c23)cc1F 587634484 GVBJICXYJADFRA-UHFFFAOYSA-N 357.762 6.573 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)c(Br)c3)c(C)c2c1 587640871 FQFUEVIHQOGCEY-NSHDSACASA-N 360.270 6.558 0 1 FKAF Cc1ccccc1[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587816441 YFPPFDVSEOWNKD-XCLFUZPHSA-N 374.297 5.084 0 1 FKAF CCC[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587819116 GRIFHUIWEOYADL-WPKBUWHJSA-N 354.307 5.308 0 1 FKAF Cc1ccc2oc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587833743 OUINNHRXNWWWFG-NSPYISDASA-N 374.253 5.266 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccccc1Cl 587860775 CEPHPNUSWNUIOD-UHFFFAOYSA-N 352.743 5.220 0 1 FKAF O=C([C@H]1C[C@H]1c1ccc(Cl)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873883 LDOXUFXXFHJKEK-KBPBESRZSA-N 354.768 4.892 0 1 FKAF CC/C(=C\c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)c1ccc(C)cc1 587968033 RXHPXCHKONIQHX-JQIJEIRASA-N 368.484 5.653 0 1 FKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)C1 587968340 AHOWCPCLFCYVLV-RKDXNWHRSA-N 357.242 5.533 0 1 FKAF Fc1cc(-c2cccc3nccn23)cc(F)c1Oc1nccc2occc12 1857573048 DAYFKRZGFYQTIO-UHFFFAOYSA-N 363.323 5.213 0 1 FKAF CC(=O)O[C@@H]1OC(=O)C2=CCC=C(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@H]21 2356566879 YFMNECJVGMKBNA-UYKQMDHISA-N 360.494 5.104 0 1 FKAF CC[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1)c1cc(OC)cc(OC)c1 203463388 KLTLDWRYXQPAOS-HXUWFJFHSA-N 371.477 5.593 0 3 FKAF O[C@@H](CCCCCCOc1cccc(-c2ccccc2)c1)c1ncco1 13587177 RNAZYOXFKRQFCF-NRFANRHFSA-N 351.446 5.405 0 1 FKAF c1ccc(-p2c(-c3ccccn3)c3c(c2-c2ccccn2)CCCC3)cc1 35837003 GSKNNHAAFLPYHG-UHFFFAOYSA-N 368.420 6.665 0 1 FKAF in-vivo Cc1ccc(Nc2cc(NC(=O)C3CCCCC3)c3ccccc3n2)cc1 40898194 PAWUNJPNTOOVIN-UHFFFAOYSA-N 359.473 5.806 0 1 FKAF Cc1ccc(N[C@@H](C(=O)CCc2ccncc2)c2ccccc2)c(Cl)c1 52594958 RAUBPCDTTLPMGO-JOCHJYFZSA-N 364.876 5.399 0 1 FKAF FCCCCSc1nnc(-c2cccc(-c3cccc(Cl)c3)c2)o1 64417140 SYZFIMMLEZHVJJ-UHFFFAOYSA-N 362.857 5.899 0 1 FKAF COc1cccc(NCC[C@@]2(c3cccc(F)c3)CCOC(C)(C)C2)c1 72112010 NZHDXAPYOUFMIY-JOCHJYFZSA-N 357.469 5.163 0 1 FKAF COc1ccc(Nc2nccc3[nH]c(-c4ccsc4)cc23)cc1OC 74386829 ZNJREUNYPXELFR-UHFFFAOYSA-N 351.431 5.052 0 1 FKAF CCCc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1 84619925 YCFSKQRZJMJUPV-UHFFFAOYSA-N 361.554 5.623 0 1 FKAF COc1ccc(-c2nccc(NCc3ccc(Cl)c(Cl)c3)n2)cc1 96271408 JLTYKUIKHRAMGL-UHFFFAOYSA-N 360.244 5.071 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccsc2)C[C@@H](c2ccccc2)C1 104703458 JDFRVCXAQQIUDR-UZUQRXQVSA-N 372.493 6.377 0 1 FKAF C/C1=C/CC(C)(C)C[C@@H](OC(=O)/C=C/c2ccc(O)cc2)C/C(C)=C/CC1 169304593 SPBVSJHMHZCQRT-GLKYTHBFSA-N 368.517 6.200 0 1 FKAF O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCc2ccc3ccccc3c2O1 169348143 IJPIYDRMJCOBBT-GOSISDBHSA-N 371.358 5.191 0 1 FKAF Cc1ccc(Nc2cc(C)nc(SCc3nc4ccccc4[nH]3)n2)cc1 169349034 SIWDNYDIZCHNKD-UHFFFAOYSA-N 361.474 5.006 0 1 FKAF Cc1cccc(C)c1-n1[nH]c(CC(c2ccccc2)c2ccccc2)cc1=O 169721512 UKQIPWMVLBZOJP-UHFFFAOYSA-N 368.480 5.157 0 1 FKAF CCCC(Br)(CCC)c1nc2c(Cl)cnc(Cl)c2[nH]1 586970994 NGQQZPDFNYCRNY-UHFFFAOYSA-N 365.102 5.455 0 1 FKAF CCCCCc1c(CCC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991507 NUOANRLVJNKNBO-UHFFFAOYSA-N 359.469 5.837 0 1 FKAF c1csc(SCc2c(-c3nc4cncnc4[nH]3)oc3ccccc23)c1 587011675 QJZQQEOEDNCTHC-UHFFFAOYSA-N 364.455 5.120 0 1 FKAF Cc1ccc(-c2nc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c(C)s2)cc1 587012514 BGBQJCXCOXQUJY-UHFFFAOYSA-N 373.403 5.989 0 1 FKAF Clc1cccc(/C=C\c2nc3c(Cl)c(Cl)cnc3[nH]2)c1Cl 587054009 KHWKKRJUJZDQCD-PLNGDYQASA-N 359.043 5.742 0 1 FKAF N[C@@H](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccccc1Cl 587056791 LIRNWSAVQSUJNM-LBPRGKRZSA-N 371.815 5.071 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H](c1cccnc1)CC4)-c1ccccc1C2=O 587097059 NZSSHCCIZMNTHH-INIZCTEOSA-N 362.432 5.228 0 1 FKAF FC(F)(F)Sc1ccc(/C=C/c2nc3ccc4ncccc4c3[nH]2)cc1 587125237 OWHNUSNKPWAYQP-BJMVGYQFSA-N 371.387 5.893 0 1 FKAF Cc1ccc(-c2cc3c4c(cccc4n2)CC3)c(OCc2ccccc2)c1 587214185 MYHXATXDQUHEMQ-UHFFFAOYSA-N 351.449 5.888 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c(Cl)cccc13)CC2=O 587463313 WMGKJLRQIFYFDD-SFHVURJKSA-N 355.821 5.186 0 1 FKAF O=C1C[C@@]2(CCCC[C@@H]2N2CCCCCC2)Oc2c1ccc1c2CCCC1 587514890 QCAYLUFLIKTHIG-LADGPHEKSA-N 367.533 5.088 0 1 FKAF O=C1C[C@]2(CS[C@@H](c3cccs3)C2)Oc2c1ccc1c2CCCC1 587533000 SUWVJBLWQDGCRG-QUCCMNQESA-N 356.512 5.209 0 1 FKAF O=C(c1cccc(F)c1)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587628803 QGOQDUUVGJBXIM-UHFFFAOYSA-N 359.681 5.349 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cc(C)oc3C)c2c1 587642934 XABGNGJEKFPYKL-JTQLQIEISA-N 363.379 6.141 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2Cl)N1 587701688 XOSMHJPETTXHMX-DYZYQPBXSA-N 368.677 5.039 0 1 FKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc3ccccc3cc2[nH]1 587781870 DTYKDEGEPCTDFU-UHFFFAOYSA-N 366.420 5.668 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2C(C)(C)C2(C)C)N1 587813163 BQVJSSSNYBEYHB-MLCYQJTMSA-N 354.307 5.020 0 1 FKAF Clc1ccc2c(c1)CCN[C@]2(CCc1ccccc1)Cc1ccccc1 963381297 UHYKHIMPBFYMPA-XMMPIXPASA-N 361.916 5.557 0 1 FKAF CC(C)c1ccccc1NC(=O)Nc1nc([C@@H](N)C2CCCCC2)cs1 1857576504 OQGUWJNGPYRHHL-SFHVURJKSA-N 372.538 5.491 0 1 FKAF COc1ccc(Cl)c(-c2ccc(NC(=O)Cc3ccccc3F)cc2)c1 1857640346 ADVUDEJZHDNILT-UHFFFAOYSA-N 369.823 5.336 0 1 FKAF Cc1c(CN2CCC[C@H](O)C2)cc(-c2ccc(C(C)C)cc2)n1C(C)C 1857655558 BZDRMHVGYDHUDE-QFIPXVFZSA-N 354.538 5.125 0 1 FKAF CCN=c1cc(-c2ccc(NC(=O)Nc3c(C)cccc3C)cc2C)cc[nH]1 1857766596 BDXLHPFQPYFDAS-UHFFFAOYSA-N 374.488 5.172 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C=CCC[C@]4(C)[C@H]3C=C[C@]21C 2356662798 HAJOVCDDHUOYQO-LYTBACDRSA-N 354.534 6.008 0 1 FKAF CN(C)c1cccc(Nc2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)c1 61927919 HJIRUHQVVJOLBI-UHFFFAOYSA-N 373.378 5.457 0 3 FKAF CC(C)c1ccc(Nc2nccc3[nH]c(-c4ccccc4Cl)nc23)cc1 74386410 DJYWDILSPYENKA-UHFFFAOYSA-N 362.864 6.145 0 3 FKAF CCCC1CCC2(CCCN2CCOC(=O)Nc2ccccc2C)CC1 205709613 LSCFAZUDCNQFAQ-UHFFFAOYSA-N 358.526 5.368 0 3 FKAF N=C(N)c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Cl 603005 FEKRWNWZMOSVBX-UHFFFAOYSA-N 361.832 5.145 0 1 FKAF in-vivo O=C(c1ccc(N2CCCCC2)cc1Cl)N1CCCCc2ccccc21 13835105 LZJSZHFQIZDMPK-UHFFFAOYSA-N 368.908 5.313 0 1 FKAF Oc1cc(Cl)ccc1Oc1ccc(NCc2ccccc2)cc1Cl 28562911 IDUJVIOMOVCMIS-UHFFFAOYSA-N 360.240 6.103 0 1 FKAF FC(F)(F)c1cccc(-c2c[nH]c(-c3cccc(C(F)(F)F)c3)n2)c1 40835743 JBFQRHXWMOVCLP-UHFFFAOYSA-N 356.269 5.781 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCC(=O)O)C(C)(C)CCC1 42966503 NBUQUJTWRSGUMQ-LYKFAKFTSA-N 371.521 5.109 0 1 FKAF COc1ccc([C@@H]2Cc3ccccc3N=C(c3ccccc3)N2C)cc1OC 49649976 NJGQPGOPNFFSCP-NRFANRHFSA-N 372.468 5.011 0 1 FKAF Cc1c(-c2ccccc2)nn(-c2ccc(C(=O)O)s2)c1-c1ccccc1 103249877 NSYLJLBUTSTMFP-UHFFFAOYSA-N 360.438 5.274 0 1 FKAF CCCOc1cc(C(C)(C)C)ccc1[C@H]1COC(c2c(F)cccc2F)=N1 103287957 NSGUEFADNIENEO-GOSISDBHSA-N 373.443 5.569 0 1 FKAF Cc1cccc(Nc2nc(-c3ccc(-c4ccncc4C)cc3)cs2)n1 145283099 IHKSNFNPAAKYEF-UHFFFAOYSA-N 358.470 5.628 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCCC 231934334 UFBCBSNKWKPSRJ-PPDQLEQOSA-N 359.598 7.048 0 1 FKAF Nc1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 428714286 VCNGYHRXHZXMSZ-UHFFFAOYSA-N 368.889 5.467 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1ccc(F)c(F)c1C4)-c1ccccc1C2=O 586995562 IITZYWKVHCSMJA-UHFFFAOYSA-N 369.370 5.604 0 1 FKAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(C(C)(C)C)cccc3[nH]2)s1 587023458 QHYAYPASNDNKQN-UHFFFAOYSA-N 372.494 5.331 0 1 FKAF COc1cc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Cl 587096894 DLTXHQISFOOTIQ-VIFPVBQESA-N 354.759 5.396 0 1 FKAF COc1c(C)cccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098989 WORMWVXHENYVDB-UHFFFAOYSA-N 365.432 5.739 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(Cl)cc3[nH]2)c1 587238759 OPCOEKHSJTWYHD-UHFFFAOYSA-N 362.864 5.826 0 1 FKAF COc1cccc(-c2cc([C@H]3CCCNC3)nc3c2oc2ccccc23)c1 587362880 MKPKIKGUZGKXOC-INIZCTEOSA-N 358.441 5.124 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(C)c(Cl)c1)O2 587377377 WWSXAXRNZDWJHY-FQEVSTJZSA-N 366.848 5.036 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(OC3CCCCC3)c1)O2 587381546 ITLJZUMQDMKYFA-HXUWFJFHSA-N 369.436 5.134 0 1 FKAF CC[C@@]1(c2ccc3cc(OC)ccc3c2)CC(=O)c2cc(C)cc(N)c2O1 587403791 RAAHWFVBLWDHPP-QHCPKHFHSA-N 361.441 5.010 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCC(C)C)cc1)CC2=O 587484476 RYMUKQHTLFTUFZ-JOCHJYFZSA-N 368.473 5.476 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(C(C)(C)c1ccccc1)CC2=O 587490741 UNPGQNJNYUWPTF-QHCPKHFHSA-N 352.474 5.437 0 1 FKAF CCCCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522430 LTJOFIDVGNHBBH-DEOSSOPVSA-N 364.485 5.625 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)Nc3cccnc3)c(-c3ccccc3)[nH]c12 587626856 IQROQAOIWRKJBD-UHFFFAOYSA-N 361.832 5.444 0 1 FKAF C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cccc(F)c2c1-c1ccccc1 587635821 UCNQSDLUOMNXHX-ZDUSSCGKSA-N 354.425 5.560 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c2)cc1O 587786250 KKXHJMKTCZHUMO-UHFFFAOYSA-N 372.468 5.909 0 1 FKAF Cc1cc2c(cc1F)[C@@](c1ccc(C(F)(F)F)cc1)(C(C)(C)C)NCC2 962089853 HZTCWATWWWGCCT-FQEVSTJZSA-N 365.414 5.588 0 1 FKAF C[C@]1([C@@H]2C[C@@H]2c2c(F)cccc2Cl)c2c(F)cccc2C[C@H]2CCCN21 963108598 PGBICGQTFFVQQX-IGMOGCDKSA-N 373.874 5.658 0 1 FKAF Cc1cc2[nH]c([C@H](O)C3CCCCC3)c(-c3ccccc3)c2cc1C(=O)O 1772654744 NSUWOTVDIGJCDL-JOCHJYFZSA-N 363.457 5.455 0 1 FKAF O=C(c1ccccc1Cl)c1sccc1-c1cccc(-c2ccccc2)c1 1857766626 KYPANLMQCCJUPH-UHFFFAOYSA-N 374.892 6.967 0 1 FKAF CCCCCC=CCCCCCCC=CC=CC(=O)NCCCC(C)C 2356630410 OQYWYNYZGPSILS-UHFFFAOYSA-N 361.614 7.128 0 1 FKAF C[C@@H]([C@@H]1CC[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)CCC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356692367 SZIOQOXLFOEUNT-JCCNSGJISA-N 369.637 6.542 0 1 FKAF CON(C)CCCCCCCCCCCCCCCC1=CN(C)[CH]C=C1 2356819419 AMLBQWMVXMJZCQ-UHFFFAOYSA-N 363.610 6.488 0 1 FKAF Clc1cccc(Cl)c1CSc1nnc(-c2ccncc2)s1 1045852 QDASLHQFRODNKM-UHFFFAOYSA-N 354.287 5.199 0 3 FKAF O=C(Nc1cccc(Cl)c1)O[C@H]1CCC12CCC(c1ccccc1)CC2 96019235 OSZKHVKWVHBNNC-DHHCDUQHSA-N 369.892 6.395 0 3 FKAF CC(C)(C)CC(C)(C)NC(=O)[C@@H](Nc1ccccc1)c1ccccc1F 206049485 ZNMAKKZSKRYLND-IBGZPJMESA-N 356.485 5.310 0 3 FKAF CC1(c2cc(NC(=O)Nc3ccccc3)n(-c3ccccc3)n2)CCCCC1 13474631 FIGYKDVBCKXPEA-UHFFFAOYSA-N 374.488 5.738 0 1 FKAF COc1ccc(CCC2=N[C@H](c3ccccc3)c3ccccc3CN2C)cc1 13600223 HOMJVOLHOZINBG-RUZDIDTESA-N 370.496 5.261 0 1 FKAF FC(F)(F)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1 13684410 JUJSXTHOUVCQGB-UHFFFAOYSA-N 366.346 5.220 0 1 FKAF CC(C)=C1CC[C@H](C)[C@](C)(Cc2c[nH]c3ccccc23)[C@@H]1CCC(=O)O 14718221 GVPCTDRGYRLXLX-YBVWCTEOSA-N 353.506 5.964 0 1 FKAF biogenic Cc1cc(C[C@H](C)[C@@H]2CC[C@@H](C)[C@@H](c3ccc(O)c(C)c3)C2)ccc1O 17325536 VLPXHDDRKFSEFV-HRSBRNJNSA-N 352.518 6.113 0 1 FKAF COc1ccc2c(Cc3cccc(Cl)c3)ccc([C@@H](C)C(=O)O)c2c1 26652645 IGWCDVMVVLJUGA-CYBMUJFWSA-N 354.833 5.281 0 1 FKAF CCc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1ccccc1 28641013 QWEAPFGYVYVOOH-UHFFFAOYSA-N 372.295 5.357 0 1 FKAF C=C(c1cc(Cl)ccc1O[C@H](CCC)c1ccccc1)n1ccnc1 28765421 CCICQPYJDAUYAF-HXUWFJFHSA-N 352.865 5.976 0 1 FKAF O=C1/C(=C\c2ccncc2)c2ccccc2N1Cc1cccc2ccccc12 29124508 RQHXYHCZQACUQV-KQWNVCNZSA-N 362.432 5.322 0 1 FKAF O=C(NC1CCCCC1)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1 45227168 SMRXRLNDEAEQLU-UHFFFAOYSA-N 363.379 5.141 0 1 FKAF CCCc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(C)=O)cc3)cc2)cc1 45261123 XLOCOAMWTNHUNQ-SFHVURJKSA-N 373.496 6.296 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(=O)CC1=C2C[C@H](C)CC1 59944359 LSFAPUUSJYJVHB-MRXNPFEDSA-N 370.533 6.523 0 1 FKAF CC[C@H](COc1cccc(C(F)(F)F)c1)OC(=O)Nc1ccccc1 103192563 OSAKQNBACLVIGL-OAHLLOKOSA-N 353.340 5.112 0 1 FKAF CC(C)(C)n1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144876727 SRKXDSOUHQTTIR-FQEVSTJZSA-N 372.390 5.084 0 1 FKAF O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)cc1F)c1ccsc12 167755868 APQZROBSQMPWLJ-UHFFFAOYSA-N 356.353 5.170 0 1 FKAF COc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](N1CCCC1)CC2 199682886 FTDOGARXMALEGF-VXKWHMMOSA-N 355.909 5.086 0 1 FKAF Cc1c(Br)cc2nc(-c3csc4ccc(O)cc34)[nH]c2c1C 587033383 UFWZLIYKXJQFIA-UHFFFAOYSA-N 373.275 5.530 0 1 FKAF Clc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cn1 587062195 FEYKSNRLMFIDGG-UHFFFAOYSA-N 354.240 5.523 0 1 FKAF Cc1cc(F)c2[nH]c(-c3c(C)cccc3-c3ccc(Cl)cc3)nc2c1 587073343 CFFDEYGAJBTKBP-UHFFFAOYSA-N 350.824 6.306 0 1 FKAF Cc1ccc(/C=C/c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1F 587146174 CDUIUNKGHWDXDO-VOTSOKGWSA-N 359.242 5.560 0 1 FKAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc3c(c2[nH]1)CCCC3)C1CCCC1 587227548 ZOCOTXHYHVOVOD-GOSISDBHSA-N 369.509 5.198 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)c1 587232984 GZQRTKNAGLHQLO-UHFFFAOYSA-N 350.425 5.487 0 1 FKAF O=C1c2ccccc2-c2c1cccc2C(=O)c1coc2ccc(Cl)cc12 587277795 CILWWKNMTISLDS-UHFFFAOYSA-N 358.780 5.529 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc4ocnc4c3)cc1)O2 587394363 FQNRUHBEYJEWQE-QFIPXVFZSA-N 370.408 5.092 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc3cccnc13)CC2=O 587462439 OTNGMRBEXAECTD-IBGZPJMESA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3C)cc1)CC2=O 587478714 HHQOWQRUBFHJRX-XMMPIXPASA-N 372.464 6.027 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3ccc(C(C)C)cc31)CC2=O 587480379 JTTPUMVQHPBIMF-DEOSSOPVSA-N 364.485 5.665 0 1 FKAF COc1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587783677 FBALZNQELDBSPG-NTCAYCPXSA-N 356.425 5.321 0 1 FKAF O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1 587951524 NKBJVWBESMAGJU-UHFFFAOYSA-N 368.436 5.392 0 1 FKAF Fc1c(Cl)cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1F 587955969 MTKKUYVRWMZALQ-HNNXBMFYSA-N 368.814 5.869 0 1 FKAF Cc1ccoc1C(=O)Nc1ccc(N2CCc3ccccc32)c(Cl)c1 653739226 FWIWSPGYSIRQPP-UHFFFAOYSA-N 352.821 5.188 0 1 FKAF Cc1c(F)ccc2c1[C@H](c1ccc3ccn(Cc4ccccc4)c3c1)NCC2 962092293 MOYRQZKGSYEKKP-VWLOTQADSA-N 370.471 5.372 0 1 FKAF Cc1sc(-c2ccc(Cl)cc2)nc1OCCCN1CCCCC1 1857766620 IRJFHCLGFHOMDB-UHFFFAOYSA-N 350.915 5.027 0 1 FKAF COCC[C@H](C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)OC)[C@@H]2CC[C@@H]1C 2356377787 LRXQVKNEISJCOG-SQBPBYRNSA-N 350.543 5.391 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCC[C@@H]1CCc2cc(O)ccc2O1 2356497026 WSTGHGHPTQPFAP-XMMPIXPASA-N 368.561 7.285 0 1 FKAF CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1 2356656800 ZTDNKQJEIFATQN-YTVPJUIYSA-N 358.614 5.104 0 1 FKAF CCCCc1ccc([C@H](C)c2ccc3c(c2)Nc2ccccc2S3)cc1 2382261660 GDXHJYUNUXZEHY-KRWDZBQOSA-N 359.538 7.389 0 1 FKAF CC(C)(C)NC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)[C@@](C)(CC[C@@H]21)C3 36387889 NEOONGYNIJYGRY-LRYNBKOMSA-N 373.581 5.273 0 3 FKAF C(=C/c1cncc(OCCCc2c[nH]c3ccccc23)c1)\c1ccncc1 14957665 VYPYCUAFXDWFHP-BQYQJAHWSA-N 355.441 5.140 0 1 FKAF CSCn1c(C/C=C(\C)CCC=C(C)C)c(C)c(=O)c2ccccc21 15120602 FCBIZSREMFDNPR-GHRIWEEISA-N 355.547 5.866 0 1 FKAF CCCCCOC(=O)Cc1nc(-c2ccccc2)oc1-c1ccsc1 27082586 IYVRNIKVPNDPIT-UHFFFAOYSA-N 355.459 5.346 0 1 FKAF CCN(CC)CC[C@H]1C(c2ccccc2)=NN(C)[C@H]1c1ccc(Cl)cc1 28520238 KATLIWHBKOOPTD-UNMCSNQZSA-N 369.940 5.079 0 1 FKAF Cc1c(-c2ccc(O)cc2)n(Cc2ccccc2Cl)c2ccc(O)cc12 28767846 WNJSPQJLTNRPAX-UHFFFAOYSA-N 363.844 5.730 0 1 FKAF O=C(c1ccco1)[C@@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40972894 LJSXUNFLSHJCEQ-NRFANRHFSA-N 369.376 5.124 0 1 FKAF O=C(c1cc2ccccc2o1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 71318352 BLXNZXIHYBBFMU-OAQYLSRUSA-N 366.420 5.424 0 1 FKAF CCCC[C@@H](C)[C@@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(C)[C@H](O)C3)CCC[C@]12C 96142491 MGADROAPTBMHLU-GUYKJFRASA-N 374.609 6.034 0 1 FKAF O=c1c2c(oc(O)c1C(c1ccccc1)c1ccccc1)CCCCCC2 101210513 CBSGETPIAPUNRD-UHFFFAOYSA-N 360.453 5.185 0 1 FKAF CCOC(=O)c1ccc(OCC(Cc2ccccc2)Cc2ccccc2)cc1 103179068 OTLCLUFKTINFKF-UHFFFAOYSA-N 374.480 5.344 0 1 FKAF CC[C@@H](COc1ccc(Cl)c(Cl)c1)OC(=O)NCc1ccccc1 103193996 MIGIJAJHKGNUPX-AWEZNQCLSA-N 368.260 5.077 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C2c1ccccc1 118916848 SINAMTXBCYKFDL-HBDHKRTHSA-N 350.546 6.084 0 1 FKAF Cc1ccc(Oc2cc(C(=O)Nc3cnc(C)cn3)cc3oc(C)cc23)cc1 169329195 AUFVGKLMXAAARH-UHFFFAOYSA-N 373.412 5.193 0 1 FKAF CC[C@H](Nc1cc(-c2cccc(OC)c2)nc(C)n1)c1cccc(OC)c1 205831807 LDDOTNINPSBYSC-FQEVSTJZSA-N 363.461 5.032 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 586881000 JITJCXFCZGCFAX-UHFFFAOYSA-N 370.496 6.497 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cccc(C(F)(F)F)c2[nH]1 587065833 ABRNZMBUQADRRF-SNVBAGLBSA-N 354.759 5.684 0 1 FKAF COc1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587123343 DANUWYKJBCVOQE-RUDMXATFSA-N 350.365 5.354 0 1 FKAF CC(C)(C)c1cccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587127038 LDFOMBRCSBFTOW-UHFFFAOYSA-N 374.366 5.302 0 1 FKAF Cc1cccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587151104 QAWWRTQVDHICED-FQEVSTJZSA-N 350.368 5.318 0 1 FKAF Fc1cc(Br)c2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2c1 587152803 RCXNZPKAVYIGDW-UWVGGRQHSA-N 367.168 5.014 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587156555 VJYBTBSMYGJFTN-HXUWFJFHSA-N 374.415 5.463 0 1 FKAF FC(F)(F)c1ccc(-c2cc3c4c(cccc4n2)CC3)c(C(F)(F)F)c1 587210035 BKYBAQZAJDFYGV-UHFFFAOYSA-N 367.292 6.038 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(F)cc(F)c3[nH]2)c1 587237963 ABLXENCWLXYQLT-UHFFFAOYSA-N 364.399 5.451 0 1 FKAF CCC[C@@]1(c2ccc(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587377300 VZDWTMKWTUTLPG-IBGZPJMESA-N 364.272 5.545 0 1 FKAF CC[C@@]1(c2ccc(C(F)(F)F)cc2F)CC(=O)c2cc(C)cc(N)c2O1 587381118 GDWPWZOXMBFXBP-SFHVURJKSA-N 367.342 5.006 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](C)Cc1ccc(C(C)(C)C)cc1)O2 587406688 UDWDTZQVIIUHIN-BTYIYWSLSA-N 351.490 5.087 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)ccc1Cl)CC2=O 587460364 FPWQUCZTKBGOQT-LJQANCHMSA-N 365.256 5.532 0 1 FKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(F)F 587508966 UOMIUCQWLVFWJL-IBGZPJMESA-N 358.384 5.182 0 1 FKAF CC(C)=CCC/C(C)=C\CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526492 VNDVSQGBFXNWMT-DHAXOPHPSA-N 366.545 6.762 0 1 FKAF O=C1C[C@H](c2ccc(Cc3ccccc3)s2)Oc2c1ccc1c2CCCC1 587533224 VJUFSLBPCWBDCM-JOCHJYFZSA-N 374.505 5.924 0 1 FKAF Cc1nn(C)cc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C 587628486 UCQLLMLGVJGRSZ-UHFFFAOYSA-N 361.289 5.223 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(COc3ccccc3)c2c1 587640072 BMLOITQMTHVCKS-KRWDZBQOSA-N 373.471 7.067 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2C(C)(C)C2(C)C)N1 587813837 FAIGVXTWTCGKOP-YPMLDQLKSA-N 354.307 5.020 0 1 FKAF CC(C)C/C=C(/C(C)C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587818240 HAIKOJYFLCTOGE-GQISJSLFSA-N 368.334 5.792 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@]12CCc1cc(Cl)c(Cl)cc12 963236892 GTBRVCCFCUEIML-QKKBWIMNSA-N 360.328 5.840 0 1 FKAF CCN(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 1857597403 JVGNXUZVRFUYLO-UHFFFAOYSA-N 365.517 6.200 0 1 FKAF O=C(NCc1cccs1)c1ccc(-c2ccc(F)c(F)c2)c2ccoc12 61906112 GFEISNIYZRFSNX-UHFFFAOYSA-N 369.392 5.370 0 3 FKAF Cc1ccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc32)cc1 5892370 DQTTUNSZUXDXSQ-UHFFFAOYSA-N 370.077 5.462 0 1 FKAF CC(C)=CC[C@@H](OC(=O)C=C(C)C)c1coc(-c2cc(O)ccc2O)c1 13432865 MIIXCJKPPPUPOJ-LJQANCHMSA-N 356.418 5.265 0 1 FKAF biogenic,in-vitro CCc1cccc(CC)c1NC(=O)NCC1(c2ccccc2)CCCC1 13833498 CJZDQJPGMSQIRC-UHFFFAOYSA-N 350.506 5.445 0 1 FKAF O=c1ccc2c(-c3cccnc3)cccc2n1-c1c(Cl)cccc1Cl 29125615 JSDPNWIQDRSLBS-UHFFFAOYSA-N 367.235 5.360 0 1 FKAF CCN[C@H](COCc1cc(C)cc(C)c1)C(c1ccccc1)c1ccccc1 29555622 SNRPTOFWJUUQPQ-RUZDIDTESA-N 373.540 5.630 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 33820757 ZKGCEXPUCJDWMB-ZRDLOGARSA-N 374.565 5.715 0 1 FKAF Cc1cccc(-c2cccc(NCc3cncn3Cc3ccccc3)c2)c1 40937572 STZOIJVVDVUFRG-UHFFFAOYSA-N 353.469 5.519 0 1 FKAF Fc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCCC1 40949752 RXKQBKBYIYFQEZ-UHFFFAOYSA-N 369.871 5.757 0 1 FKAF Fc1cccc(Cl)c1-c1nc(-c2ccc(Oc3ccccc3)cc2)c[nH]1 64549073 RFFFOBZNDHLUAV-UHFFFAOYSA-N 364.807 6.329 0 1 FKAF O=C(NC(C(F)(F)F)C(F)(F)F)N(c1ccccc1)c1ccccc1 68573443 RUGJNJRECKOUNQ-UHFFFAOYSA-N 362.273 5.028 0 1 FKAF biogenic CCCCCCC1=C(c2ccccc2)[C@]2(OC[C@H](C)CC)CCC[C@@H]2C1 71319147 RMTGTFVDFHBPQH-XRODADMRSA-N 354.578 7.416 0 1 FKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)C(=O)NCC(=O)O 85589949 ILSMDNVBZYGMDG-GBESFXJTSA-N 355.563 5.262 0 1 FKAF endogenous,in-man Clc1ccc(C2=NO[C@@H](c3ccc(Cl)cc3)N2c2ccccc2)cc1 103184136 ITEYZGVPFOPHIE-FQEVSTJZSA-N 369.251 5.891 0 1 FKAF CCOc1cc2cncc(Cc3cnc4ccccc4c3)c2cc1OCC 145077378 TXDVANKJMVJTSI-UHFFFAOYSA-N 358.441 5.171 0 1 FKAF CCCCCCC(=O)CC[C@]1(C)[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 169321790 RAPFVZADTBJFJP-WXFUMESZSA-N 371.565 5.236 0 1 FKAF Cc1cc(OCCCN2C(C)(C)CCCC2(C)C)nc(-c2ccccc2)n1 299821212 BUBZNVDCGJNOPR-UHFFFAOYSA-N 367.537 5.264 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586879555 TVGOZEZTFPJVCG-UHFFFAOYSA-N 356.322 5.762 0 1 FKAF Cc1cc(Br)cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586883270 AJLHQXAEBXKTIS-KXBFYZLASA-N 353.263 5.005 0 1 FKAF COc1cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2cc1OC 586896908 ULTGIISNLYOPFN-UHFFFAOYSA-N 354.450 5.200 0 1 FKAF CCOC(=O)Cc1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587027675 ZYAZGMYJZCFZGQ-UHFFFAOYSA-N 362.454 5.064 0 1 FKAF Cc1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1C 587032942 WFUUVBYUKLOTHI-UHFFFAOYSA-N 372.291 5.406 0 1 FKAF COc1cc(OC)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587049530 MLEBXTSEWLITBJ-MNOVXSKESA-N 363.244 5.158 0 1 FKAF CCc1c(-c2c(C)n[nH]c2C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098323 XDUCUNVEHSJSOO-UHFFFAOYSA-N 367.452 5.324 0 1 FKAF Cc1ccc(NC2(c3nc4cc(C(F)(F)F)cnc4[nH]3)CCCC2)cc1 587236592 AZNRNGIQVXKDIP-UHFFFAOYSA-N 360.383 5.167 0 1 FKAF COc1cc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2cc1C 587240578 KSHPWCUZSALWKW-UHFFFAOYSA-N 359.429 5.299 0 1 FKAF CC[C@@]1(CCCC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354849 OWMSLOXNZXHZIB-GGAORHGYSA-N 370.464 5.865 0 1 FKAF CC(C)[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587356003 XSKGVQPYZFLDEJ-HNKPZJSLSA-N 368.448 5.475 0 1 FKAF COc1cccc(-c2cc([C@@]3(C)CCCO3)nc3c2oc2ccccc23)c1 587367638 XIZPPYCYWWOPMS-HSZRJFAPSA-N 359.425 5.682 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(Cl)cc3)o1)O2 587380589 WOFIJTFDWBBKNP-IBGZPJMESA-N 353.805 5.197 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)ccc(C)c1F)CC2=O 587465994 IRMQLKFEMHKYEL-HXUWFJFHSA-N 362.828 5.326 0 1 FKAF O=C1C[C@H](c2c(F)cccc2N2CCCC2)Oc2c1ccc1c2CCCC1 587501207 AVIYUDBNSODQMS-OAQYLSRUSA-N 365.448 5.011 0 1 FKAF O=C1C[C@H](c2ccc(OCCCF)cc2)Oc2c1ccc1c2CCCC1 587507184 OSEFLWXBUUFKBU-OAQYLSRUSA-N 354.421 5.010 0 1 FKAF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)cc1C 587628866 BCFOJQJQWDLKFW-UHFFFAOYSA-N 351.755 5.692 0 1 FKAF CCCCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2cc(F)ccc12 587633402 ASDCGVPBOICCAZ-UHFFFAOYSA-N 351.343 6.215 0 1 FKAF CC/C=C\CCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587818840 KFMLMEDTZOSOLG-SCVPAZLYSA-N 354.307 5.690 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2CCCC3)N1 587819511 IMMCTBFLYSSNNL-ODXCJYRJSA-N 374.297 5.091 0 1 FKAF Cc1ccc(-c2nc(-c3ccc(C)c(C)c3)cs2)c(Br)c1 587921063 QPHQDRIEKCXXFL-UHFFFAOYSA-N 358.304 6.165 0 1 FKAF CCC[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(C)C 587954651 DGVXTINOSZPVHU-SECBINFHSA-N 363.221 5.884 0 1 FKAF CC[C@]1(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587959572 HALFPPBYGRJDEB-HXUWFJFHSA-N 373.283 5.638 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(Cl)c(N)c2)n1 653748688 ATMHIEASJFZHHI-LJQANCHMSA-N 364.880 5.177 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2csc(-c3cccs3)n2)N1 962961647 XVQAGVGAHRXCAU-CWTRNNRKSA-N 365.527 5.367 0 1 FKAF O=C(O)c1ccccc1Nc1c(Cl)cc(-c2ccccc2)cc1Cl 1857569545 DEHYHIDFFCEJLJ-UHFFFAOYSA-N 358.224 6.102 0 1 FKAF Clc1ccc2c(c1)C=C1CCCCC3=Cc4cc(Cl)ccc4OC13O2 1911570596 GTAWRDYWAQXVRH-UHFFFAOYSA-N 371.263 6.516 0 1 FKAF CC(=O)CC[C@H]1C(C)(C)CCC[C@]1(C)C(=O)CCC(C)=CCOC(C)=O 2356685904 KHGRKRPUNMGKCC-UGKGYDQZSA-N 364.526 5.047 0 1 FKAF Cc1cccc2ccc3c(c12)CC[C@]1(C)C3=CC[C@@H]1[C@@H](C)C=C[C@H](C)C(C)C 2356719708 FPQQKAKTGXPOSV-MVHPXJMOSA-N 372.596 7.988 0 1 FKAF CCCCN(CCCC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1 13759951 YDIVVGPEMJITAB-UHFFFAOYSA-N 355.530 5.255 0 1 FKAF CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C(=O)OC 14974961 PUOVJBZYXIARHB-UHFFFAOYSA-N 371.477 5.462 0 1 FKAF C[C@H]1CN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)C[C@@H](C)N1C 22937960 JQBCJANIMSRFBC-AUKWGBGVSA-N 372.915 5.080 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 33820840 RECYEDMAPDKCSM-LVARZUFQSA-N 358.566 6.601 0 1 FKAF COc1ccc(CNCCC=C(c2ccccc2)c2ccccc2)cc1O 40900839 WEZXNINTRZYZHE-UHFFFAOYSA-N 359.469 5.012 0 1 FKAF O=C(c1ccc2ccccc2c1)N(Cc1ccncc1)c1ccc(F)cc1 49072460 JWSRXJUODGKWIE-UHFFFAOYSA-N 356.400 5.221 0 1 FKAF Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3ccccc3)n2)cc1 82163312 MBOBIYQGAYETRW-UHFFFAOYSA-N 356.429 5.028 0 1 FKAF Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1-c1ccc(/C=C/C(=O)O)cc1 95597486 VYBSVNAXVRYRMJ-RMKNXTFCSA-N 374.392 5.229 0 1 FKAF CCCCCNCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C 96938969 AKVCNLGPOGONDM-UHFFFAOYSA-N 369.459 5.406 0 1 FKAF CC1(C)[C@H]2CC[C@@H](CNc3cc(Oc4ccc5ccccc5c4)ncn3)[C@@H]1C2 104930399 IMBHTTDSYOSSNM-ZJOUEHCJSA-N 373.500 5.906 0 1 FKAF COc1cncc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1 143198693 NZXCUBHPNOCKLM-UHFFFAOYSA-N 370.412 5.083 0 1 FKAF CN(C)C1(c2ccccc2)CCC2(CCCc3c2[nH]c2ccccc32)CC1 166500219 ILTZVTAZTZJNJS-UHFFFAOYSA-N 358.529 5.773 0 1 FKAF FC(F)(F)c1ccc(NC[C@@H]2CCc3ccc4ccccc4c3O2)cc1 169333245 ZQDNPHMQILFORH-SFHVURJKSA-N 357.375 5.664 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cncc(Br)c2[nH]1 586878520 JGXOTZAGNZALTP-UHFFFAOYSA-N 364.246 5.363 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2cc(Br)cc(Cl)c2[nH]1 586884595 UTSHLCHRBRBDJI-UHFFFAOYSA-N 371.665 6.107 0 1 FKAF COc1cccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586975059 JQBGDHZLHZUKII-UHFFFAOYSA-N 372.049 5.308 0 1 FKAF Cc1ccc2c3c(cc(-c4cccnc4Cl)nc13)-c1ccccc1C2=O 586993742 QOPCKIOGGNPVKM-UHFFFAOYSA-N 356.812 5.470 0 1 FKAF Brc1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)o1 587006030 ADPJKGWNGCTSIP-UHFFFAOYSA-N 355.191 5.378 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(O)c2[nH]1 587072778 WVHNKFLVFPVCJM-YZJMHRKOSA-N 373.283 5.941 0 1 FKAF Cc1cc(Br)cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587084432 AKACBXDOMKEUKV-UHFFFAOYSA-N 372.653 5.502 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](OCc1ccccc1)C3 587107050 MHNNQXJRXJYLMU-NRFANRHFSA-N 363.416 5.260 0 1 FKAF CC(C)[C@H]1c2ccccc2-c2nc3cccc4c3c(c21)-c1ccccc1C4=O 587206303 CGJHVWXUWVWWMJ-NRFANRHFSA-N 361.444 6.215 0 1 FKAF N[C@@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1cccc2ccccc12 587258511 FLYMKYXCFGJRIL-INIZCTEOSA-N 373.353 5.117 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3cc(C)c(C)cc3o1)CC2=O 587482062 OIUSADXKBXZDHV-QHCPKHFHSA-N 364.441 5.588 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CCC)(CCc1ccccc1)CC2=O 587491329 WQWJWHHTBGHRPI-QHCPKHFHSA-N 352.474 5.482 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3ccccc3)cs1)CC2=O 587496765 UJPWATFFKYSRTB-LJQANCHMSA-N 365.454 5.175 0 1 FKAF CC(C)[C@]1(Cc2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501880 AKOIEFUEAUDBSZ-QHCPKHFHSA-N 352.449 5.307 0 1 FKAF Cc1coc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)C2 587529431 CDKJPSLRAIBVCZ-QHCPKHFHSA-N 350.458 5.300 0 1 FKAF O=C1C[C@@](Cc2ccccc2)(c2cccs2)Oc2c1ccc1c2CCCC1 587529709 BHAOVKCFJWTHCZ-DEOSSOPVSA-N 374.505 5.730 0 1 FKAF O=C1C[C@](/C=C2\CCCO2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587530555 DKEQOSRKURZFOY-SIAYCOCNSA-N 360.453 5.120 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]3CCCC[C@H]32)N1 587826024 GBURXCZJTKTGRT-DZDCQFRTSA-N 366.318 5.308 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc2ccccc2n1 587863156 SJGJQPXAOXEOKR-UHFFFAOYSA-N 369.346 5.115 0 1 FKAF COc1cccc([C@H](C)Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587932936 XJDYCIBGXVCVCZ-SNVBAGLBSA-N 352.331 5.076 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccsc2)(C2CCCC2)N1 962953815 WHQPCDCPAOXCJO-VGSWGCGISA-N 350.531 5.588 0 1 FKAF COc1cc([C@@H]2C=CCC[C@H]2C=Cc2ccc(OC)c(OC)c2)ccc1O 2356482465 NNDAWFGRMQFDQC-PKOBYXMFSA-N 366.457 5.181 0 1 FKAF CC1(C)C[C@@H](Cc2ccccc2C(F)(F)F)N(C(=O)OC(C)(C)C)C1 95600026 MQQMIQZIDJFVLX-CQSZACIVSA-N 357.416 5.284 0 3 FKAF O=Cc1c(-c2cc(Cl)sc2Cl)nc2sc3ccccc3n12 1527977 BXJRMUVAUKSPHS-UHFFFAOYSA-N 353.255 5.397 0 1 FKAF COC(=O)c1c(C)c2c(c(C)c1C(=O)OC)-c1c(C)ccc3ccc(C)c-2c13 1654065 GDGBSSOXLHZDQI-UHFFFAOYSA-N 374.436 5.294 0 1 FKAF CCO[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)c2c1cc(C(C)C)c(OC)c2O 13302680 MGAOUXBZMKOBML-PNCHPQGNSA-N 360.538 6.090 0 1 FKAF biogenic O=c1cc(CCCCCCCCc2ccccc2)oc2cccc(O)c12 14504202 CMLCLJURVZTMAX-UHFFFAOYSA-N 350.458 5.624 0 1 FKAF biogenic O=C(O)[C@H]1CCCN(CCC/C=C/c2ccccc2-c2ccccc2F)C1 95594806 YZSVWUOOVODXFM-WQASTYQWSA-N 367.464 5.083 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N1CCOCC1 169323062 RUKZVIXSXGGFHW-MLFLMRJSSA-N 373.581 5.991 0 1 FKAF CCCCC[C@@H](C)SC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169344714 JPUVEYMMQIVSGF-GYSFKUIOSA-N 368.583 5.683 0 1 FKAF CC(C)c1cccc(NC(=O)c2cccc(N3CCc4ccncc4C3)c2)c1 169710120 RHNRCAGSWLRFCY-UHFFFAOYSA-N 371.484 5.020 0 1 FKAF Cc1cc(Br)cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586883256 AJLHQXAEBXKTIS-BEFAXECRSA-N 353.263 5.005 0 1 FKAF CCCCOc1cc2nc([C@H]3C[C@]3(C)CC)[nH]c2cc1Br 586890882 PMXGBMMOBZPVAS-DIFFPNOSSA-N 351.288 5.408 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1 586964099 USINUKZDBVHQQL-JTQLQIEISA-N 365.271 5.459 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc4ccccc4[nH]3)nc3ccc(O)c1c23 586989177 AGYFWKASOZUIBW-UHFFFAOYSA-N 362.388 5.300 0 1 FKAF Clc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c(Cl)n1 587047946 CDGODNXREIRITE-RQJHMYQMSA-N 373.070 5.843 0 1 FKAF Cc1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2c1 587141241 OGMNKTDOOUDFJX-UHFFFAOYSA-N 366.436 6.109 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)c1 587160169 KANODIWAKMFEAX-UHFFFAOYSA-N 370.786 5.837 0 1 FKAF Brc1ccc(-c2cc3c4c(cccc4n2)CC3)c2ccccc12 587208342 QKDWCDRTDATJQF-UHFFFAOYSA-N 360.254 5.916 0 1 FKAF O=C(c1cccc(F)c1Br)c1coc2ccc(Cl)cc12 587278787 UHTZPGKULXOUCN-UHFFFAOYSA-N 353.574 5.219 0 1 FKAF CCOC1=Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CC1 587364185 YVSCLUCQAJPFOM-UHFFFAOYSA-N 371.436 5.980 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Cl)c(Cl)c1Cl)O2 587372780 ANCQTDYPKMWNNQ-QGZVFWFLSA-N 370.663 5.418 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(Cl)c(Cl)c1)CC2=O 587468369 WQIJRSWPODYSJK-MRXNPFEDSA-N 369.219 5.497 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(C)o1)CC2=O 587479896 JZUKCXSTKJIFEV-JOCHJYFZSA-N 362.425 5.620 0 1 FKAF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)s1 587630310 YJLBHMJIXMEOFR-UHFFFAOYSA-N 361.747 5.742 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]1CCCC[C@@H]1C2(C)C 587830656 VUYUSORISDJSEI-KTFSFXJSSA-N 366.318 5.164 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2cc(F)c(F)cc2[nH]1 587957562 NQPHKKSHLANMMC-UHFFFAOYSA-N 366.452 5.759 0 1 FKAF Cc1ccccc1[C@@]1(C2CC2)c2cccc(F)c2CCN1[C@H]1CCSC1 962696984 AQLWMKKIWKOQQK-MBSDFSHPSA-N 367.533 5.151 0 1 FKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C=CC4=CC=CC[C@]4(C)[C@H]3CC[C@]12C 2356503721 QIKNIWLZQDIZOC-FDEHDPPTSA-N 366.633 7.970 0 1 FKAF CC[C@@]1(C=C(C)C(=O)O)[C@H]2[C@@H](C)C[C@@H](C)[C@H]2C(C)=C[C@H]1c1ccccc1 2356542207 NZZHSJZMHIQBPW-YIAXSNJASA-N 352.518 6.066 0 1 FKAF CO[C@@H]1CC[C@@H]2[C@H](CC[C@@H]3CC4=CC[C@@H]5C[C@H](O)CC[C@@H]5[C@H]4CC[C@H]32)C1 2356623256 SZAJWRKZJNIUSA-LCXWLZPGSA-N 358.566 5.351 0 1 FKAF COc1c(C)ccc2c1-c1cccc3c1[C@@H](C2)N(Cc1ccccc1)CC3 13757603 REHZDUZJCOTDRK-JOCHJYFZSA-N 355.481 5.326 0 1 FKAF C/C(=C\CO)CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 15253712 QVAALZYWZYXTTP-XGJSTYNISA-N 364.658 8.091 0 1 FKAF endogenous,in-man CC/C(=C(/CC)c1cccc(OC(C)=O)c1)c1cccc(OC(C)=O)c1 29230377 BCJYOQZVKCFYCV-QURGRASLSA-N 352.430 5.268 0 1 FKAF COC(=O)C1=C(C)N(c2cccc(Cl)c2)C=C(C)[C@@H]1c1ccccc1 52566325 ZJSHLUYNMIWAKU-LJQANCHMSA-N 353.849 5.295 0 1 FKAF O=C1CCCC[C@@H]1[C@H](Nc1cccc2ccccc12)c1cc2ccccc2o1 66262120 HGKWHIVQQLOUTG-CPJSRVTESA-N 369.464 6.499 0 1 FKAF O=C1Oc2ccc3ccccc3c2C[C@H]1C(=O)c1cc2ccccc2s1 72172197 ZWMQUUGJBUIOPI-KRWDZBQOSA-N 358.418 5.015 0 1 FKAF C[C@H]1[C@H]2Cc3ccc(Br)cc3[C@@]1(C)CCN2Cc1ccccc1 169338242 RFIKUGPYXNCFAU-RVHYNSKXSA-N 370.334 5.174 0 1 FKAF Oc1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)cc1F 299865407 NRUHLDCINUOMCF-UHFFFAOYSA-N 366.323 5.180 0 1 FKAF COC(=O)c1cc2[nH]c(-c3c(C)cccc3-c3ccccc3)nc2cc1OC 586878258 FXGPMKVYZBFAJH-UHFFFAOYSA-N 372.424 5.001 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(N)c(N)cc4[nH]3)cc2)CC1 586878821 BESADXFHPZPXIO-WKILWMFISA-N 362.521 5.858 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 586880118 YSLSGSGQUYTGFM-UHFFFAOYSA-N 368.358 6.104 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(F)cc(Br)cc4[nH]3)cc2)o1 586903777 VETXLSBLYQEMFK-UHFFFAOYSA-N 371.209 5.700 0 1 FKAF CCc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1Br 586976471 FPFVLJXIUSYKHU-UHFFFAOYSA-N 371.065 5.257 0 1 FKAF Cc1c(-c2cc(F)ccc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986377 LOSAHVNAKGPATG-UHFFFAOYSA-N 373.358 5.405 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2c(Cl)cnc(Cl)c2[nH]1 587063016 ZPIXYNYHSDHJNK-JTQLQIEISA-N 356.640 5.448 0 1 FKAF Cc1ccnc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 587112783 ZKVLZXPNMXNWIR-UHFFFAOYSA-N 373.300 5.089 0 1 FKAF COc1cc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2cc1F 587240173 AEDYNQJZNURUMR-UHFFFAOYSA-N 363.392 5.130 0 1 FKAF COc1cccc(-c2cc([C@@H]3CCCCC3=O)nc3c2oc2ccccc23)c1 587366404 MAVSHHQLOUJTIZ-KRWDZBQOSA-N 371.436 5.883 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(F)c(Cl)c1)CC2=O 587468926 ZMJANPJWZBEGKS-MRXNPFEDSA-N 369.219 5.497 0 1 FKAF CCCC[C@@]1([C@H]2CCOC(C)(C)C2)CC(=O)c2ccc(O)c(CCC)c2O1 587485486 WBCPNMVBQPMYGS-HJPURHCSSA-N 374.521 5.444 0 1 FKAF COc1cc(Cl)cc(F)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501360 BHRRCTGDTKUKED-GOSISDBHSA-N 360.812 5.073 0 1 FKAF O=C1C[C@H](c2cnc(C3CCCCC3)nc2)Oc2c1ccc1c2CCCC1 587516660 ZDEDUCJHIQLLAE-OAQYLSRUSA-N 362.473 5.110 0 1 FKAF COc1ccc([C@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527507 VYNHRKHCEOTLDU-HSZRJFAPSA-N 350.458 5.091 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603100 KXIBBLGOUODVPA-OCZPFTLSSA-N 366.457 5.185 0 1 FKAF CCc1c(-c2cc(Br)ccc2F)[nH]c2c(C)cc(Cl)cc12 587624399 JGPMXEBBFJGKLK-UHFFFAOYSA-N 366.661 6.261 0 1 FKAF Cc1ccc(C)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 587783523 BTZHSIRAQGQBHF-NTCAYCPXSA-N 354.453 5.929 0 1 FKAF CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=C(C)C)CC1 587816777 DBPUQUIRKXRXCX-BFUOFWGJSA-N 364.302 5.394 0 1 FKAF CC(C)[C@@]1(C)CC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587819167 GYNGHYMVXWJTBT-OCBCSQNSSA-N 354.307 5.164 0 1 FKAF FC(F)(F)c1cnc2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 587955903 LZGVQRYLMNIXGM-QGZVFWFLSA-N 367.374 5.351 0 1 FKAF CC(C)=CCC/C(C)=C\c1nc2c(Br)cnc(Cl)c2[nH]1 587969534 YZMHYLXCDVYIPJ-YFHOEESVSA-N 354.679 5.524 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc(Cl)c(O)cc1Cl 963226866 IDGOVALBESQCAX-BUXKBTBVSA-N 350.289 5.445 0 1 FKAF O=C(NCc1cccc(Cl)c1)c1ccc(-c2cccnc2)c2ccoc12 61902272 TXUFTJZWGVMZBG-UHFFFAOYSA-N 362.816 5.078 0 3 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC[C@H]1n1cnnc1 13586648 MRJVMRQEDQFTGR-FQOPZOEXSA-N 367.493 5.045 0 1 FKAF COCCC/C=C/Cc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 27753071 QVMBZYVOASLQMK-GGUXULKNSA-N 356.506 5.528 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](CCC(=O)O)OC 28342329 UAHUQBJMSAKKNP-KLQBPHMYSA-N 358.522 6.174 0 1 FKAF O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1 29561785 CSSPRVUSIKJSLW-UHFFFAOYSA-N 351.016 5.258 0 1 FKAF CC1CCN(Cc2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)CC1 40865774 DTQQVJLJZAQLBK-UHFFFAOYSA-N 362.561 5.571 0 1 FKAF CC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1cccc(Cl)c1 45256040 NNLKAIQGXPBQIA-UHFFFAOYSA-N 355.865 5.467 0 1 FKAF Cc1ccc(C(=O)c2sc(Nc3ccccc3)nc2-c2ccccc2)cc1 45339386 FJMIUNJCELHTHX-UHFFFAOYSA-N 370.477 6.093 0 1 FKAF in-vitro Cc1cccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 79917294 JTYUEDSCPRDQKQ-UHFFFAOYSA-N 371.524 5.143 0 1 FKAF Cc1ccc([C@H]2N=C(c3ccc(F)cc3)Oc3ccc4ccccc4c32)cc1 84731336 UGQUWDQWWJRSSM-XMMPIXPASA-N 367.423 6.216 0 1 FKAF CCC1(CC)C[C@@](CCNCc2ccccc2)(c2ccc(F)cc2)CCO1 96940355 STWFUAGIYHEJBN-QHCPKHFHSA-N 369.524 5.613 0 1 FKAF Clc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)s2)c1 103185618 RYGYXLMEXHEEKA-UHFFFAOYSA-N 358.879 5.027 0 1 FKAF COc1cc2nc(-c3ccccc3)cc(-c3ccccc3)c2c(OC)c1OC 196048058 IBAJUZQTJRHQKS-UHFFFAOYSA-N 371.436 5.595 0 1 FKAF Clc1ccccc1-c1nc2ccc(Nc3ncnc4ccccc34)cc2[nH]1 299833638 VJLYSHWBHKHQIH-UHFFFAOYSA-N 371.831 5.570 0 1 FKAF Cc1ccc2c3c(cc(C(Cl)(Cl)Cl)nc13)-c1ccccc1C2=O 586994280 XCGCZCGVURLSNU-UHFFFAOYSA-N 362.643 5.581 0 1 FKAF Cc1c(-c2cc(F)ccc2O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586997383 XJNFLVLPZGHVHA-UHFFFAOYSA-N 369.395 5.575 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2n1 587031726 AIXASXMCGPNKJW-UHFFFAOYSA-N 362.502 5.263 0 1 FKAF Clc1cc(Br)c2[nH]c(CCc3ccccc3Cl)nc2c1 587059687 UFUONYFITUBDKO-UHFFFAOYSA-N 370.077 5.417 0 1 FKAF Cc1cnc(Cl)c2[nH]c([C@@H](C)Cc3cccc(C(F)(F)F)c3)nc12 587112058 CZMZACRIOAXBQY-VIFPVBQESA-N 353.775 5.285 0 1 FKAF CCc1ccc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c2c1 587139574 PTZGOFYDXVLRKI-UHFFFAOYSA-N 358.416 5.801 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)c1 587234842 JHLINDOOKXLQJG-UHFFFAOYSA-N 353.347 5.356 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(C)ccc1C)O2 587405948 OLHLQSUIKHCXFU-XMMPIXPASA-N 357.453 5.103 0 1 FKAF COc1ccc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587522814 HUYDMFLAJKCIMM-VWLOTQADSA-N 372.464 5.608 0 1 FKAF CCc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528445 ZWGQOJSNJRAUMH-QFIPXVFZSA-N 372.468 5.224 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccccn3)c(-c3ccc(C(=O)O)cc3)[nH]c12 587626044 CBIBOOVMUNQKIK-UHFFFAOYSA-N 362.816 5.557 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(Cl)cc1Br 587628502 UIKHBPCMMQZMKC-UHFFFAOYSA-N 373.052 6.352 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(C)(C)C)(C2CC2)N1 587815786 QEZODDRFJRMHIL-ZMZPIMSZSA-N 354.307 5.164 0 1 FKAF Cc1cc(C)cc(C[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587821008 SFELWJLKEAXKDC-SUMWQHHRSA-N 362.286 5.023 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2C(C)(C)C)N1 587824830 ZAZWEGCZJBKPEK-QHLBDZCJSA-N 368.334 5.554 0 1 FKAF CCCC/C=C/c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587964738 BTZOCUUTKLVPFQ-AATRIKPKSA-N 363.177 5.427 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2csc(-c3cccs3)n2)N1 962961653 XVQAGVGAHRXCAU-HXPMCKFVSA-N 365.527 5.367 0 1 FKAF CCCCCCC(=O)Nc1ccc2c(ccn2Cc2ccc(O)cc2)c1 1857554058 ZHGLPKDZOFGCPU-UHFFFAOYSA-N 350.462 5.304 0 1 FKAF C[C@@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccccc4)cc3c21 1857612229 AUUVINFSHCZJRY-INIZCTEOSA-N 350.425 5.256 0 1 FKAF Cc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)cc1 95566348 ASZHBGONSJCMHE-UHFFFAOYSA-N 354.478 6.115 0 3 FKAF Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccc2c1-c1ccccc1 602958 LMAZVQQMVXMTEY-UHFFFAOYSA-N 366.464 5.482 0 1 FKAF C[C@@]1(Cc2ccccc2)C(=S)Nc2ccc(-c3cccc(Cl)c3)cc21 13488896 UDPWGYPGCKGVEH-QFIPXVFZSA-N 363.913 6.260 0 1 FKAF O=C(CCC[n+]1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 13558999 KAPIKUHBALFONG-UHFFFAOYSA-N 354.832 5.097 0 1 FKAF O=C(O)C[C@@H]1CC[C@@H](c2ccc(OCc3ccc4ccccc4n3)cc2)C1 26675349 QLCYDOOHNFRQMA-VQIMIIECSA-N 361.441 5.172 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CCC4=C(SCCl)C(=O)CC[C@@]43C)[C@@H]1CCC2=O 29343076 KEVDHIRSYSCSSY-QEUSRBKZSA-N 366.954 5.345 0 1 FKAF CCC(C)(C)C1CCC(N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)CC1 64437212 OPRXBLIAOOZDAC-OBFZPWGMSA-N 368.565 5.429 0 1 FKAF c1ccc2c(c1)oc1ccc(Oc3cncc(NCC4CCCCC4)n3)cc12 82068625 IZMYWTVBEMNGMT-UHFFFAOYSA-N 373.456 6.161 0 1 FKAF COc1ccc(Nc2c(-c3ccc(OC)cc3)cnc3ccccc23)cc1 84687741 ZZQULEFFKJHEPJ-UHFFFAOYSA-N 356.425 5.663 0 1 FKAF COc1ccc(-c2csc(NC(=O)Nc3ccccc3)c2)cc1OC 96282748 UPOKDIRWWVQRJE-UHFFFAOYSA-N 354.431 5.076 0 1 FKAF c1ccc([C@@H](c2ccc3oc4ccccc4c3c2)n2cnc3ccccc32)cc1 96914434 KTACBVGGWRDAFX-SANMLTNESA-N 374.443 6.573 0 1 FKAF COc1ccc(-c2cnc3c(-c4csc5ccccc45)cnn3c2)cc1 96926995 OKIMNEZJSJBLJY-UHFFFAOYSA-N 357.438 5.287 0 1 FKAF Nc1cc(-c2cccs2)nc2nc(-c3ccccc3)cc(C(F)(F)F)c12 103202073 OVOKJMUSMTVZLL-UHFFFAOYSA-N 371.387 5.626 0 1 FKAF S=c1[nH]c2c(c(=S)[nH]1)[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2 103290841 JTWKDJAZKVUSDU-INIZCTEOSA-N 374.490 6.241 0 1 FKAF C[C@@]12C[C@](C)(C=C1/C=C/C=C/c1ccco1)C(=O)C[C@@H]2/C=C/c1ccco1 169298018 UQMOFGNDJAVHLT-NNOYIMBYSA-N 360.453 6.087 0 1 FKAF CC(C)[C@@]12CC[C@@]3(CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]3C1)[C@@H](CN)C2 254074510 CFSIKOAGZWBLPX-NWVMWTAYSA-N 361.570 5.085 0 1 FKAF Nc1ccc(-c2nc3ccc(-c4ccc5nc(N)sc5c4)cc3s2)cc1 299833730 ZKXHHINXLMOEIN-UHFFFAOYSA-N 374.494 5.404 0 1 FKAF Clc1ccc(-c2ccc(CN3C4=NCCN4c4ccccc43)cc2)cc1 299834515 YMBUOIGJLSZUKQ-UHFFFAOYSA-N 359.860 5.203 0 1 FKAF Cc1cc(-c2nc3c(F)c(F)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880460 ZJRVLZSLODTQTL-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF Cc1ncc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(C)c1Br 586979297 WDZKEEWFYSPFRR-UHFFFAOYSA-N 371.065 5.311 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(Cl)cc1C3 586986208 PGTYPQNHRYDTHA-UHFFFAOYSA-N 369.807 5.376 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc(F)c3Cl)nc3cccc1c23 587104511 XRZCNXCMSNNJQS-UHFFFAOYSA-N 359.787 5.906 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587169996 HDQGRHFSUSNJIE-SNVBAGLBSA-N 370.371 5.496 0 1 FKAF COc1cccc(-c2cc(C[C@H](C)CC(C)C)nc3c2oc2ccccc23)c1 587364496 BTULBANWTPJTMD-QGZVFWFLSA-N 373.496 6.881 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(=O)[C@H](C)CC3)c1 587367850 YDFXJMRDRBQSMQ-CYBMUJFWSA-N 357.409 5.422 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C)s3)s1)O2 587413523 PCMZHADDGGKIFV-HNNXBMFYSA-N 355.484 5.382 0 1 FKAF Cc1ccc(Cl)c2c1[C@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587499654 MCONRQIGPJPOHG-QFIPXVFZSA-N 368.860 5.170 0 1 FKAF CO[C@@H](C)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523725 OZQIUCCEFATQQO-WNSKOXEYSA-N 350.458 5.153 0 1 FKAF O=C1C[C@]2(CCNc3cc4ccccc4cc32)Oc2c1ccc1c2CCCC1 587525615 OJYMICLLBXQHCB-VWLOTQADSA-N 369.464 5.395 0 1 FKAF Cc1cccc(OCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1C 587564184 MXUHOZAARFAEQK-UHFFFAOYSA-N 370.758 5.311 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1Cc1ccc(Br)cc1 587628988 XKAJWZHHJRFCJX-UHFFFAOYSA-N 352.634 5.622 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(-c3ccccc3)c2c1 587639600 ALWMOCJWGSXINQ-INIZCTEOSA-N 359.900 7.669 0 1 FKAF Cc1ccc(NC(=O)Cc2nc(-c3cccc(Cl)c3)cs2)c(C)c1 587920674 NBGGHIINNOXPGQ-UHFFFAOYSA-N 356.878 5.262 0 1 FKAF FC(F)(F)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587950403 LKCOSKYSJZEXFH-UHFFFAOYSA-N 350.384 5.067 0 1 FKAF Cc1c(F)cc(Cl)c([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1F 963103840 OFIAALZKYTXNGO-DJJJIMSYSA-N 351.799 5.176 0 1 FKAF CCc1ccc(-c2c(O)ccc3c2CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)cc1 1772589915 OTQMJHBGYYIQAT-UYDMNARISA-N 374.524 6.047 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(F)c3)nc3c2Cc2ccc(O)cc2-3)cc1 1857556526 IGDWDKCADNUBAC-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CC(C)C1=C[C@H]2[C@](C)(CC1)[C@H](O)CC[C@@]2(C)OC(=O)C=Cc1ccccc1 2356560886 IHVHEWJJIVUKSI-SGKWCMOWSA-N 368.517 5.155 0 1 FKAF CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@H]2[C@H](OC(=O)C=Cc2ccccc2)C1 2356687054 BSHLGQPIUIDMJX-ONTLXTELSA-N 368.517 5.155 0 1 FKAF COc1ccc([C@@H](c2ccccc2)[C@H](C)C(=O)c2c(C)cc(C)cc2C)cc1 1629262 FODRFNKXXDTGIV-NBGIEHNGSA-N 372.508 6.271 0 1 FKAF C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccccc1)Oc1ccccc1-3 13796865 QXSLSLICSJPAFZ-WNSKOXEYSA-N 369.464 5.712 0 1 FKAF c1ccc(-c2nc(N3CCCCC3)c3[nH]c(-c4ccccc4)cc3n2)cc1 13834941 NHFQJRDRWIEHTM-UHFFFAOYSA-N 354.457 5.282 0 1 FKAF O=C(CCCCSCc1ccccc1)c1ncc(-c2ccccn2)o1 14980053 NLMGKBWZZZUXAF-UHFFFAOYSA-N 352.459 5.023 0 1 FKAF FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCCCC4)cn23)c1 29133858 DEAKLAODOGHDJO-UHFFFAOYSA-N 360.383 5.160 0 1 FKAF CCCCSCSC[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 40641484 WQIBDBVSAJGYND-RRJWWHKXSA-N 372.596 5.205 0 1 FKAF CCCCCNCc1ccc(-c2ccc(CNCCCCC)cc2)cc1 40762758 WKHHRHIRSPSWRO-UHFFFAOYSA-N 352.566 5.913 0 1 FKAF O=C(CCc1nnc(Cc2ccccc2)o1)c1ccc(-c2ccccc2)cc1 43059492 UVSKCRZQJWLBLM-UHFFFAOYSA-N 368.436 5.143 0 1 FKAF Clc1cccc(-c2cc(-c3ccc(Cl)o3)cc(-c3ccsc3)n2)c1 45335801 CBGLYYBLSYBYNA-UHFFFAOYSA-N 372.276 7.044 0 1 FKAF CC(=O)Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1 66111479 VKZLIDKDUZMGHE-UHFFFAOYSA-N 369.420 5.543 0 1 FKAF CCCc1ccccc1-c1ccc(O[C@H](Cc2ccccc2)C(=O)O)cc1 95596963 VQZHGVRISATOSM-HSZRJFAPSA-N 360.453 5.381 0 1 FKAF CCCCN[C@H]1CC[C@@H](c2ccc(OCCCN3CCCCC3)cc2)CC1 101437302 YSFJQETUBNXLQX-AFARHQOCSA-N 372.597 5.357 0 1 FKAF O=C(O)CCCCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 102184837 CKZGRGZXFFNECL-TUMLHVDRSA-N 360.582 6.680 0 1 FKAF C1=CN2C(=NC3=C(CCC/C3=C\c3ccccc3)[C@H]2c2ccccc2)S1 102929128 ROLNZFSJFPBXCB-BENYOCTQSA-N 356.494 6.139 0 1 FKAF C[C@]12C[P@](=O)(c3ccccc3)C[C@@H]1c1ccccc1[C@H]2c1ccccc1 105511922 USAJZDLDKCTBFR-BIATYSSJSA-N 358.421 5.624 0 1 FKAF CCCCCc1cc(OC)c(C2=C[C@@H]3CC[C@@]2(C(=O)O)C3(C)C)c(OC)c1 117466073 WCZNJFCRMLMUIK-QMHKHESXSA-N 372.505 5.341 0 1 FKAF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)[C@H]1C(=O)CCCC1=N2 169722027 SWZGDUAWMLWJDS-UXHICEINSA-N 356.828 5.396 0 1 FKAF CCCC/C=C\c1cc2ccc(Cl)cc2n1C(=O)C[C@H](C)CC(=O)O 299838970 PDJASCSKSNEQFL-AFNCTOJWSA-N 361.869 5.639 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(Cl)cncc4[nH]3)cc2)CC1 586879939 IYUFHDXFONJDTH-WKILWMFISA-N 367.924 6.742 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(OC)ccc4[nH]3)cc2)CC1 586881176 QTRUDCRUTDZORQ-IYARVYRRSA-N 362.517 6.703 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2cccc(OCc3ccccc3)c2[nH]1 586882856 CFHFNYIDCXELPH-UHFFFAOYSA-N 364.448 6.271 0 1 FKAF FC(F)(F)c1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Cl 586885464 VBSHEMWWXMUCDS-BHGXRVDKSA-N 354.803 5.703 0 1 FKAF CCCC(Br)(CCC)c1nc2cc(OC)c(Cl)cc2[nH]1 586970574 GPMJGJJWLBRQBC-UHFFFAOYSA-N 359.695 5.415 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc12 587015899 XJUHSJTWOALGCD-UHFFFAOYSA-N 374.296 6.277 0 1 FKAF COc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1F 587050674 QPNZPIGFYSJFEL-RKDXNWHRSA-N 351.208 5.289 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2c(Cl)c(Cl)cnc2[nH]1 587062265 PQRULOYGBXMCNZ-SNVBAGLBSA-N 356.640 5.448 0 1 FKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(F)c(F)c2[nH]1 587148381 CIEYGBGIYSCCHE-SFHVURJKSA-N 353.347 5.182 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)s1)CC2=O 587463408 ABDVNANGKDRTGL-CYBMUJFWSA-N 356.365 5.132 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)ccc1C)CC2=O 587463968 DXEBBNFWWBELDO-SFHVURJKSA-N 364.363 5.378 0 1 FKAF CC(C)[C@H]1CCc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527962 XYUAETPXYLZZRJ-BWKNWUBXSA-N 360.497 5.645 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCC(F)(F)F)N1 587708995 GZHAPIPGORVELR-OTYXRUKQSA-N 368.212 5.070 0 1 FKAF CCCOc1cccc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587777514 AAAZFHLXRIIYFH-UHFFFAOYSA-N 372.468 5.522 0 1 FKAF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 587827567 KMCFICSDIFZBDE-YPMLDQLKSA-N 374.253 5.266 0 1 FKAF CCCCOc1ccc([C@H]2c3cc(OC)ccc3CCN2C(C)C)cc1 962085917 BBIMYQLFBFWVFA-QHCPKHFHSA-N 353.506 5.230 0 1 FKAF COc1ccc([C@@H]2NCCc3c2sc(C)c3C)cc1O[C@H]1C=CCCC1 963023096 LDHQEYGYOMIXLH-UWJYYQICSA-N 369.530 5.096 0 1 FKAF Fc1ccc2c(CN3CCC(F)(F)[C@H](CCc4ccccc4)C3)c[nH]c2c1 1772600644 PFOWCBUJJWGNHA-GOSISDBHSA-N 372.434 5.397 0 1 FKAF CC(C)(C)c1ccc(C(=O)NCc2ccc(SC(F)(F)F)cc2)cc1 1772616018 MFYGHPJRKUWMLB-UHFFFAOYSA-N 367.436 5.526 0 1 FKAF O=C(O)c1ccc(-c2ccnc(Nc3cccc(-c4ccccc4)c3)n2)cc1 1857752641 UHSGKZKFUUFRPH-UHFFFAOYSA-N 367.408 5.252 0 1 FKAF CC=C(C)C(=O)OCc1ccc(-c2ccc(-c3cccs3)s2)s1 2356428742 VHSFAQBXEAXNTQ-UHFFFAOYSA-N 360.525 6.215 0 1 FKAF O[C@H](c1ccc(F)cc1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 61907903 HEAXPRLCJSVWQR-OAHLLOKOSA-N 353.340 5.050 0 3 FKAF Cc1ccccc1Nc1nc(C(Cl)(Cl)Cl)nc2ccccc12 5590106 NLJIUNSXQNSYTN-UHFFFAOYSA-N 352.652 5.509 0 1 FKAF COc1c(C(C)=O)c(O)c(OCc2ccc3ccccc3c2)c2occc12 13682248 DQOZWNUMCZSXBX-UHFFFAOYSA-N 362.381 5.082 0 1 FKAF O=C1CCCCCCCCCCCCCCCCCCCCCCCO1 14510333 SICXJMTZGHQPDU-UHFFFAOYSA-N 366.630 8.125 0 1 FKAF biogenic Fc1ccc(-c2nc(SC(F)(F)F)[nH]c2-c2ccc(F)cc2)cc1 28220512 OOIBHJONYFZSOW-UHFFFAOYSA-N 356.319 5.634 0 1 FKAF Cc1c(OCCCCOc2ccccc2)ccc(C(=O)CC(C)C)c1O 28345446 XTUHVYJHTALVBU-UHFFFAOYSA-N 356.462 5.167 0 1 FKAF Cc1cc2c(CC(=O)O)coc2c(C)c1Oc1ccc(O)c(C(C)C)c1 28948160 XGIXEBKNKXHCMD-UHFFFAOYSA-N 354.402 5.298 0 1 FKAF C[C@]12CC=C3[C@H](CCC4=C(SCCl)C(=O)CC[C@]34C)[C@H]1CCC2=O 29342395 IJJJTAZQYVCQBF-RDPGKOORSA-N 364.938 5.265 0 1 FKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)(C)C1 33825624 RTKUCVAYNSXMMS-IAGOWNOFSA-N 370.577 7.457 0 1 FKAF C[C@@H](Nc1ncnc2[nH]c(-c3ccc(F)cc3)cc12)c1ccc(F)cc1 73196911 BRUXXKMYGZJMRS-GFCCVEGCSA-N 350.372 5.076 0 1 FKAF CCCCCCc1ccc([C@H]2COC(c3c(F)cccc3F)=N2)cc1F 103287661 LJDUFUFRQHJWCQ-LJQANCHMSA-N 361.407 5.745 0 1 FKAF CO[C@@H]1C[C@H]2[C@@H]3CC=C(n4ccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H]3C[C@]312 203685932 UEVQTGRVYPBALF-LGUSBTLXSA-N 352.522 5.002 0 1 FKAF COc1cc2c(cc1OC)[C@H](c1sc3cccc(C)c3c1Cl)NCC2 204775029 KDSXZMLAZLMRPM-LJQANCHMSA-N 373.905 5.115 0 1 FKAF CCCCC[C@@H](C)SC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253637606 JPUVEYMMQIVSGF-INQBPBIGSA-N 368.583 5.683 0 1 FKAF Cc1ccc(SCc2nc3ccc(F)c(Br)c3[nH]2)c(C)c1 586963489 KGQWLDMXIFKDKA-UHFFFAOYSA-N 365.271 5.374 0 1 FKAF Cc1ccc(SCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(C)c1 586963822 QZBQPXLDLVRVNP-UHFFFAOYSA-N 354.372 5.630 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C(F)(F)F)CC4)-c1ccccc1C2=O 586995679 NFFSEDYKAOCRAT-LBPRGKRZSA-N 367.370 5.422 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587070349 SEHUVXAMNMFIPJ-VIFPVBQESA-N 367.663 5.900 0 1 FKAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3ccccc3cc2[nH]1 587081350 ZKAPAWOOMQWVDO-QGZVFWFLSA-N 360.848 5.093 0 1 FKAF O=C1c2ccccc2-c2cc(/C=C/c3ccc(Cl)cc3)nc3cccc1c23 587103444 IBSWEGAVYLTQOH-JLHYYAGUSA-N 367.835 6.270 0 1 FKAF C[C@H]1C[C@H](C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354626 OHCYNBGWBMCFNH-NEXUFGMNSA-N 354.421 5.085 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H]1C[C@@H]3C=C[C@H]1C3)CC2=O 587488344 IYNWSTIHFCOVGH-KCLXPQBDSA-N 374.480 5.418 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(CC[C@H]1C(C)=CCCC1(C)C)CC2=O 587489256 NXVDEXUMEKKQMQ-YADARESESA-N 370.533 6.231 0 1 FKAF CCCC1CCC([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587604016 QNKXHZRGGJPHHW-UVLHFKGJSA-N 366.457 5.329 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccccc3Cl)c(-c3ccccc3)[nH]c12 587623251 BIMCWZSNSKGISC-UHFFFAOYSA-N 352.264 7.117 0 1 FKAF CCCc1c(-c2ccc(Br)cc2)[nH]c2c(C)cc(Cl)cc12 587624039 WOTCLUCUXHWNJZ-UHFFFAOYSA-N 362.698 6.512 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3O)c(CC(=O)O)c2c1 587642983 XYVNIKPKGFVOBN-NSHDSACASA-N 357.837 5.335 0 1 FKAF Cc1ccc(C)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 587783524 BTZHSIRAQGQBHF-QINSGFPZSA-N 354.453 5.929 0 1 FKAF COc1cccc(CC[C@@]2(C3CC3)c3c(F)cccc3C[C@@H]3CCCN32)c1 963105313 PQYBUHLZNHBJSF-GBXCKJPGSA-N 365.492 5.093 0 1 FKAF c1ccc([C@H](OCCCCn2ccnc2)c2nc3ccccc3s2)cc1 1772646467 STTIFYNTEBKOGA-FQEVSTJZSA-N 363.486 5.079 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2)c2c(n1)-c1c(O)cccc1C2 1857595543 DLKZQQKJQFJPPP-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF CC(=CCCc1ccoc1)CC=C[C@]1(C)CC[C@@H]([C@@]2(C)CCC(=O)O2)O1 2356746658 KJTXBIXWWIZNLF-KSEOMHKRSA-N 358.478 5.138 0 1 FKAF C[C@H]1CCCCC(=CCl)C[C@H](C(C)(C)C)OC(=O)CC=CN(C)C1=O 2356799052 TXSKGOYJIQLKGC-DOTOQJQBSA-N 369.933 5.029 0 1 FKAF COc1ccc([C@H]2Oc3ccc(/C=C/C(=O)OC(C)(C)C)cc3[C@@H]2C)cc1 2382254113 IUCUCDXHJVOZQL-CTDIQZSTSA-N 366.457 5.287 0 1 FKAF Cc1ccc(O[C@H](CCN2CCc3ccccc3C2)c2ccccc2)cc1 13530631 UBADXEPQIYZMTN-RUZDIDTESA-N 357.497 5.564 0 1 FKAF CCCCCCC(C)(C)c1ccc(-c2ccc(OC)c(OC)c2)c(O)c1 28822124 WLPATBCIJAUBDH-UHFFFAOYSA-N 356.506 6.324 0 1 FKAF Cn1c(-c2ccccc2C(F)(F)F)nnc1-c1ccc2ccccc2c1F 29042974 YKNOBASIAKPOGU-UHFFFAOYSA-N 371.337 5.460 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820804 IUJRQVPSTXZBJZ-OMTSXFOYSA-N 374.565 5.427 0 1 FKAF COc1ccc(-c2ccccc2)c2cc(C(=O)Nc3ccc(F)cc3)oc12 45387534 KBNJONVLNLBZDH-UHFFFAOYSA-N 361.372 5.500 0 1 FKAF C[C@@]1(c2ccccc2)CCN(c2cccc(-c3ccccc3F)c2)C(=O)O1 72118689 CJOYNVRXISNTHV-QHCPKHFHSA-N 361.416 5.755 0 1 FKAF CC[C@H](C)Cn1c(-c2ccccc2)nc2c(NCc3ccccc3)ncnc21 82178220 CJJBRAUWAGGYSX-KRWDZBQOSA-N 371.488 5.152 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccccn3)c2)c1 95555528 QMWWMAFGJBJCNP-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF Oc1ccc(-c2cc(-c3ccncc3)nc(-c3ccc(Cl)cc3)c2)cc1 95557389 MZPMJMBXOBBPCG-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF CCCCCc1cc(O)c2cc(Cc3ccccc3Cl)c(=O)oc2c1 95575719 HEULDPGYVKUNLJ-UHFFFAOYSA-N 356.849 5.476 0 1 FKAF COC(=O)c1cc(O)c2c(c1)C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O2 95910772 UERQNIPJAHMGOA-QPLBDWIMSA-N 370.489 5.816 0 1 FKAF biogenic,in-vitro Cc1cnn([C@H](c2ccc(OCc3ccccc3Cl)cc2)C2CC2)c1 96938131 KPBMJJWHMKQMEV-NRFANRHFSA-N 352.865 5.423 0 1 FKAF C[C@H]1[C@H]2Cc3ccc(NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 100806583 CBEQNEFYEBRKMD-YZYNAAERSA-N 374.572 5.275 0 1 FKAF Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(Cl)cc1)c1nccs1 103244915 CKYVDHZHFCZJBC-SFHVURJKSA-N 353.878 5.788 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2 147712070 WISKNMYMNRQYOL-JKSUJKDBSA-N 353.506 6.402 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3O)nc(-c3ccccc3O)c2)c1 299830006 NKOICESOFLEBFX-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cnc1Cl 586993936 RTELZTNHOVVZHP-UHFFFAOYSA-N 370.839 5.778 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@H]3SCCc4sccc43)nc2c1 587036537 FHDQMTKWDQRTQX-ZDUSSCGKSA-N 374.840 5.675 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587088307 WVFGYIPVPJNKBD-UHFFFAOYSA-N 371.827 5.596 0 1 FKAF Cc1ccc(Cc2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)cn1 587097991 RNZZATAYPUFRDY-UHFFFAOYSA-N 350.421 5.049 0 1 FKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)n1 587098211 SEMRVDKNFOMTSK-UHFFFAOYSA-N 350.421 5.433 0 1 FKAF Fc1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc(N2CCCC2)n1 587177247 FCOBKNHXXGBELI-UHFFFAOYSA-N 374.419 5.157 0 1 FKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587196116 QXJQHESBHADPPX-KRWDZBQOSA-N 371.484 5.360 0 1 FKAF COc1cccc(-c2cc(-c3cc(C)n(C)n3)nc3c2oc2ccccc23)c1 587364667 ZQPRMYKUTWMYJI-UHFFFAOYSA-N 369.424 5.366 0 1 FKAF COc1cccc(-c2cc(CCCC(=O)O)nc3c2oc2ccccc23)c1 587365227 FXSNGYZYTSUEFF-UHFFFAOYSA-N 361.397 5.064 0 1 FKAF CCC[C@]1(c2ccc(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587377302 VZDWTMKWTUTLPG-LJQANCHMSA-N 364.272 5.545 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(Cl)cc1C)O2 587378886 REGCYTDEFFQALM-HXUWFJFHSA-N 366.848 5.036 0 1 FKAF CCCCCCc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587449022 CZPUKUCXCRCQPL-IIBYNOLFSA-N 356.487 5.368 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cn(C(C)(C)C)nc1C(C)C)CC2=O 587474438 DZRZMIKPKHQYMC-IBGZPJMESA-N 370.493 5.126 0 1 FKAF O=C1C[C@@H](c2c(Cl)ccc3ccncc23)Oc2c1ccc1c2CCCC1 587504968 JWYZCCLHPOPTAE-FQEVSTJZSA-N 363.844 5.474 0 1 FKAF Cc1cc(C(F)(F)F)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509234 RGNIBKUEGQUJKY-LJQANCHMSA-N 360.375 5.599 0 1 FKAF O=C1C[C@@]2(CCCC[C@H]2Cc2ccccc2)Oc2c1ccc1c2CCCC1 587526061 QKTBCMQBKPMPFC-NBGIEHNGSA-N 360.497 5.702 0 1 FKAF CC1=CC[C@H](C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587600960 DGLQKCIJNJCSSJ-CDHQVMDDSA-N 364.441 5.105 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(C(=O)C(F)F)c2c1 587641024 IFRGLRAUMLHYGM-GFCCVEGCSA-N 357.400 5.805 0 1 FKAF COc1cccc(C2(c3nc4cccc(C(F)(F)F)c4[nH]3)CCCC2)c1 587930642 JCZPUPCUZKRQMS-UHFFFAOYSA-N 360.379 5.450 0 1 FKAF CCC(C)(C)c1ccc(OCCCCCCCCN2CCCCCC2)cc1 1857537700 OCDZXKYOYHCDPQ-UHFFFAOYSA-N 373.625 6.970 0 1 FKAF O=C(Nc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 1857632819 CYLLGJIKMVHFPU-UHFFFAOYSA-N 356.756 5.221 0 1 FKAF O=C(Nc1ccccc1C(F)(F)F)c1nc2cc(Cl)ccc2s1 1857632830 HQSCFOVRBQLFOF-UHFFFAOYSA-N 356.756 5.221 0 1 FKAF Cc1cn(CCCCCCCCOc2ccc3c(C)cc(=O)oc3c2)cn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c2ccc(O)cc2)[C@@H]13 2356481410 PQZMZRVBJLKEFN-HEZDJTGRSA-N 368.517 5.436 0 1 FKAF CC(=CCC[C@H](C)[C@@H]1CC[C@]2(C)CC=C(C)CCC=C(C)[C@@H](O)C[C@H]12)CO 2356649107 ZWOMTRLSJCLHBD-JRBASJLZSA-N 374.609 6.201 0 1 FKAF CC(=CCCc1ccoc1)CC=C[C@]1(C)CC[C@H]([C@@]2(C)CCC(=O)O2)O1 2356746656 KJTXBIXWWIZNLF-CEMLEFRQSA-N 358.478 5.138 0 1 FKAF CC[C@@H](CCC(=O)N(c1ccccc1)c1ccccc1)c1ccc(C)cc1 203473049 WEWYNSCNPPLQPH-NRFANRHFSA-N 357.497 6.634 0 3 FKAF Cc1cc(CCCCC[C@@H](C)C(=O)O)c(CCCc2ccccc2)s1 13726649 QQHQXMPVQNNKSK-QGZVFWFLSA-N 358.547 6.055 0 1 FKAF CN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCCc2ccccc2)CC1 27326137 RMYJUOJHZLDDLW-UHFFFAOYSA-N 371.952 5.425 0 1 FKAF CN1CCCN(c2nc(-c3cccc4ccccc34)cc3ccccc23)CC1 27517688 IOVFPJJMUIFWEC-UHFFFAOYSA-N 367.496 5.197 0 1 FKAF CN(C)CCSc1cc(-c2ccc3ccccc3c2)nc2ccccc12 29480520 BMKKOLGRXMIYCW-UHFFFAOYSA-N 358.510 5.709 0 1 FKAF COc1ccc(Cl)cc1[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 40828042 ZJNBBYJURGKAEX-CQSZACIVSA-N 373.783 5.153 0 1 FKAF O=C(c1ccc(NC2CCCCC2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 64559413 LFMHTUADSRDWLA-NHCUHLMSSA-N 353.893 6.071 0 1 FKAF CCC[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(C)c1 72116999 KKSZFGYIWUCGIV-INIZCTEOSA-N 361.411 5.212 0 1 FKAF O=C1C[C@H](c2cccs2)Sc2ccccc2N1Cc1ccccc1 95560954 NEIRQYHPKPVOLN-LJQANCHMSA-N 351.496 5.518 0 1 FKAF COc1ccc2c(c1Cl)CCCC=C2c1cc(OC)c(OC)c(OC)c1 103291464 WPXDKOKSLPCVOY-UHFFFAOYSA-N 374.864 5.142 0 1 FKAF Nc1ccc(-c2ccc3[nH]c(-c4ccc(C5CCC5)cc4)nc3c2)cc1N 586880645 OKTZFFZKTKIHRM-UHFFFAOYSA-N 354.457 5.329 0 1 FKAF CNc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 586996678 OWEONYBGWRPVFM-UHFFFAOYSA-N 350.421 5.463 0 1 FKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1F 586996861 UGLANLGKWINHNW-UHFFFAOYSA-N 353.396 5.869 0 1 FKAF Cc1cnc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 587052054 WIOSSVSZMHHUGM-UHFFFAOYSA-N 369.855 6.407 0 1 FKAF Cc1nccc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc12 587072971 AMQUXZLZJNPSDY-CYVLTUHYSA-N 373.887 6.093 0 1 FKAF Clc1ccc2ccc(-c3nc4cc5ccccc5cc4[nH]3)nc2c1Cl 587082703 CDFYPXBDCZWMTN-UHFFFAOYSA-N 364.235 6.238 0 1 FKAF CC(=O)[C@H](c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106508 IMEPAFILWMYBFD-HSZRJFAPSA-N 363.416 5.167 0 1 FKAF Cc1ccc(/C=C\c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1F 587146468 MUPUUKYEHXRQFB-XFXZXTDPSA-N 356.400 5.412 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(Cl)cc(C)c4[nH]3)c2)c1 587160057 DRVSDBLFXXUXSL-UHFFFAOYSA-N 366.823 6.006 0 1 FKAF CCCCCCc1c(C(=O)O)nc2cccc3c2c1-c1ccccc1C3=O 587208209 RXTKNEHZVXZNKJ-UHFFFAOYSA-N 359.425 5.267 0 1 FKAF CCN(CC)CCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587360173 KBKODQNAEJBSCP-UHFFFAOYSA-N 374.484 5.541 0 1 FKAF COC(=O)/C=C(\C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363053 PBTIYEXNVLJYFL-SDNWHVSQSA-N 373.408 5.233 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccc(C)cc1)[C@@H](C2)C3=O 587444415 DNHVTLIOOUHYGG-RDPSFJRHSA-N 356.421 5.159 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1oc3cc(C)ccc3c1C)CC2=O 587477339 FSCRIAVOQCRBBX-HXUWFJFHSA-N 350.414 5.414 0 1 FKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]3C[C@@H]2C[C@@](Cl)(C3)C1 587497272 INYQEGYEISMACE-SYUGIOTNSA-N 356.893 5.087 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccncc3)cc2)Oc2c1ccc1c2CCCC1 587516034 TVSQRCZZSPLTJL-QHCPKHFHSA-N 355.437 5.334 0 1 FKAF CC[C@@H](C)Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587522284 KPVTVPPKZSOMDM-IVZQSRNASA-N 350.458 5.449 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603099 KXIBBLGOUODVPA-NPDZVAPOSA-N 366.457 5.185 0 1 FKAF Fc1ccccc1-c1c(C2CC2)[nH]c2c1c(Br)cc1n[nH]cc12 587622294 IIHUXTGSMAISJW-UHFFFAOYSA-N 370.225 5.490 0 1 FKAF CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccncc1 587623301 FCTYRYCIGABIBP-UHFFFAOYSA-N 369.266 5.166 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1N1C(=O)c2ccccc2N/C1=C\Cl 587623761 ORUROYWSAUJSRO-CXUHLZMHSA-N 372.255 5.548 0 1 FKAF CC(C)(C)c1ccc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)cc1 587633996 SLLFVGHAECPDOH-UHFFFAOYSA-N 363.354 6.017 0 1 FKAF CCOC(=O)Cc1[nH]c2ccc([C@H](C)CC)cc2c1-c1ccccc1Cl 587642195 QOZWBAYLHXEAIZ-CQSZACIVSA-N 369.892 6.107 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3Br)c(CF)c2c1 587643700 VYYKOYMVQASRRE-LBPRGKRZSA-N 360.270 6.580 0 1 FKAF CC(C)[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587819837 WTYNEHBBESOIPC-RVZJWNSFSA-N 354.307 5.164 0 1 FKAF CCC[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587824473 WZUYYOAUAHKFNW-DFHBCGBQSA-N 354.307 5.308 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4cccc(Cl)c4[nH]3)c2)c1 587933507 QBNOTPJVHNASCH-UHFFFAOYSA-N 350.805 5.265 0 1 FKAF Cc1cc(Br)cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587951502 MZLTTXOLTWAFRI-UHFFFAOYSA-N 357.251 5.232 0 1 FKAF COc1cc2c(cc1OC)[C@](CC(C)C)(c1ccccc1C)N(C)[C@@H](C)C2 962559504 BZIYQKLSYXVEAN-UUOWRZLLSA-N 367.533 5.178 0 1 FKAF CC(C)c1nn(C)c2c1[C@@H](c1cccc3c1sc1ccccc13)NCC2 962915375 HQHMQHHRKHCMQB-OAQYLSRUSA-N 361.514 5.147 0 1 FKAF c1ccc([C@@H]2CCCN(c3nc(-c4cccnc4)nc4ccccc34)C2)cc1 1857559815 ODIPALICXDLZFX-HXUWFJFHSA-N 366.468 5.076 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(F)c3)nc3c2Cc2cc(O)ccc2-3)cc1 1857578735 OHYYSSJGZQOYOG-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CCCCCCSc1cc(Cl)c(C(=O)CC[N@]2C[C@H]2C)c(Cl)c1 1857742108 ITMOHGDZMKMQRY-LRTDBIEQSA-N 374.377 5.943 0 1 FKAF COC(=O)CC[C@@]12C3=CCC[C@H]3CC[C@H]3C=N[C@H]1[C@@H](C(C)C)CC[C@]32C 2356645041 CPDMKDOXBXJZGN-VFEGKJSPSA-N 357.538 5.198 0 1 FKAF COc1cc(C)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(OC)c1 2356781967 CDVBDSFNLFHWSH-UHFFFAOYSA-N 356.550 6.974 0 1 FKAF COc1ccc(-c2coc3c(C(=O)NC4CCCCC4)cccc23)c(C)c1 61903127 VPQWTYKQAYGMEH-UHFFFAOYSA-N 363.457 5.479 0 3 FKAF COc1ccc(Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)c(C)c1 72139340 RYMIWPOUUUOHOX-UHFFFAOYSA-N 362.860 5.563 0 3 FKAF CCCC1CCC2(CC1)CC[C@@H]2OC(=O)Nc1cccc(C(F)(F)F)c1 205706562 UHMBWOGFSRBZDJ-KGYZHSKHSA-N 369.427 6.393 0 3 FKAF Fc1ccccc1/N=c1\oc2ccccc2cc1-c1nc2ccccc2[nH]1 3108433 HKTJGAFTRBLYCU-ROMGYVFFSA-N 355.372 5.348 0 1 FKAF C[C@]12C=CC[C@@H]1[C@H]1CCc3cc(OC(=O)c4ccccc4)ccc3[C@@H]1CC2 17002350 KHAIFVOAJPIDQL-LYGMZBLVSA-N 358.481 5.928 0 1 FKAF biogenic CCCCC[C@@H](O)/C=C/[C@H]1C[C@H]2C[C@H](S2)[C@@H]1C/C=C\CCCC(=O)O 33822026 OVGWMUWIRHGGJP-WVDJAODQSA-N 366.567 5.195 0 1 FKAF in-vitro Cc1cc(C)cc(-c2cc3cc(OC(F)(F)F)ccc3n2C[C@H](C)O)c1 66258725 LEPSNUKXKULMID-AWEZNQCLSA-N 363.379 5.205 0 1 FKAF CCCC[C@@H](CC)CNCc1coc(-c2ccccc2Br)n1 72181871 AGAOTWUTWRPXFK-CQSZACIVSA-N 365.315 5.410 0 1 FKAF CCN(C)c1ncc(-c2nc3ccccc3s2)c(-c2ccccc2C)n1 82177754 SCRHSZRHLRFTLE-UHFFFAOYSA-N 360.486 5.185 0 1 FKAF Cc1ccc2c(Sc3ccc(Cl)c(Cl)c3)c(C(=O)O)[nH]c2c1 95584397 UGIXPZNFYAQTAH-UHFFFAOYSA-N 352.242 5.633 0 1 FKAF c1ccc(C2=Nc3ccccc3[C@@]23[C@@H](c2ccccc2)N3c2ccccc2)cc1 103276240 VCYCTGASUJLJTF-QZIBZCQVSA-N 372.471 6.278 0 1 FKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(/C=C/c3ccccc3)cc21 143269077 HTCPTLFWSWDULW-ZJVMWOEPSA-N 352.355 5.636 0 1 FKAF O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCc2ccc3ccccc3c2O1 169348140 CEQBRDWDKFXCQK-SFHVURJKSA-N 371.358 5.191 0 1 FKAF Fc1cc2[nH]c(-c3ccccc3OCc3cscn3)nc2cc1Cl 587029072 GPDOVLCWPOHXDF-UHFFFAOYSA-N 359.813 5.058 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cnncc2[nH]1 587070511 HLRREGMVHCPGQW-DOBXZICZSA-N 359.260 5.026 0 1 FKAF Cc1cc2nc(-c3noc(C)c3COc3ccc(Cl)cc3)[nH]c2cc1C 587074933 BDFZXMKMUNPFQN-UHFFFAOYSA-N 367.836 5.376 0 1 FKAF Cc1nc2c(C)ccc3c2c(c1[C@H]1CCCCC1=O)-c1ccccc1C3=O 587100423 JOKOORZXRWMTQY-KRWDZBQOSA-N 355.437 5.290 0 1 FKAF CC(C)(C)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2n1 587150768 SLDZOENBYXPHPB-FQEVSTJZSA-N 374.463 5.596 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2C[C@H](C3)C2(C)C)c1 587367420 PSMBANWUCIOZLQ-KXBFYZLASA-N 369.464 6.342 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(Cl)c1Cl)[C@@H](C2)C3=O 587420822 JDLDWHSBSJKCBK-APPDUMDISA-N 369.631 5.144 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCC)CC2=O 587460434 GCWLYQMZTUUEKP-IBGZPJMESA-N 360.837 5.103 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(C)cc1)CC2=O 587487534 FKFSGGQJNYUULJ-RUZDIDTESA-N 372.464 5.562 0 1 FKAF CC(C)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515669 NWPUNERPRVIJLE-HSZRJFAPSA-N 359.469 5.808 0 1 FKAF CC[C@H](C)c1ccc(OC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524896 NHWXWRDNAQOYKR-WNSKOXEYSA-N 364.485 5.794 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc4c(c3)OCO4)c(C(=O)C(F)F)c2c1 587640030 BDYSZGUGIBLLAS-NSHDSACASA-N 371.383 5.525 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)cc2F)[nH]c2ccc([C@H](C)CC)cc12 587640918 GORZYHXREGHJLO-GFCCVEGCSA-N 373.855 6.318 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCC(F)(F)F)N1 587709142 ISBYZPLIZMDQCY-LKFCYVNXSA-N 368.212 5.070 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)cc1O 587786702 PHZLKQAICDETLM-UHFFFAOYSA-N 367.408 5.159 0 1 FKAF Cc1ccc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587800648 CBJGFPBNVRAAOH-NSPYISDASA-N 373.269 5.002 0 1 FKAF CC(C)C/C=C(/C(C)C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821755 XJJBGNZXNOQDRR-XGVXUNOWSA-N 368.334 5.792 0 1 FKAF Cc1ccc(-c2csc(CC(=O)Nc3ccc(Cl)cc3)n2)cc1C 587920421 HPHHHRDZAPNSTN-UHFFFAOYSA-N 356.878 5.262 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cc3ccccc3[nH]2)n1 653762241 LIIOUHRAFAJJJP-HXUWFJFHSA-N 354.457 5.423 0 1 FKAF CC1(C)[C@@H]2CC[C@@](C)(C2)[C@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962693167 AFRHZRPNHNXLDF-AERDPVEMSA-N 359.554 5.231 0 1 FKAF C[C@H](C(F)(F)F)[C@@]1(c2ccccc2)c2c(F)cccc2C[C@@H]2CCCN21 963097818 HSPDZDZMSIICOY-GZRFBZBPSA-N 363.398 5.288 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCc1cc(Cl)c(Cl)cc12 963236894 GTBRVCCFCUEIML-SPLOXXLWSA-N 360.328 5.840 0 1 FKAF CC(C)Sc1c(C(N)=O)sc2ccc(OCc3ccccc3)cc12 13603751 ULUVPKPMHIUGIJ-UHFFFAOYSA-N 357.500 5.080 0 1 FKAF C[C@]12C=C(/C=C/C=C/c3ccco3)[C@](C)(C1)[C@@H](/C=C/c1ccco1)CC2=O 13783101 UQMOFGNDJAVHLT-OWMCRCFSSA-N 360.453 6.087 0 1 FKAF CCCCCc1cc(O)cc(OC(=O)c2c(O)cc(OC)cc2CCC)c1 15115370 MWIZCESHZVQTKX-UHFFFAOYSA-N 372.461 5.011 0 1 FKAF biogenic NC(=O)c1ccc2oc(N[C@@H](CC3CCCCC3)c3ccccc3)nc2c1 27999293 VCFHQHPZXNZFJD-SFHVURJKSA-N 363.461 5.050 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 28568396 KIQFUORWRVZTHT-DJOJWZHESA-N 374.565 5.715 0 1 FKAF CN(C)CCOc1cccc(C(=C2CCCCC2)c2cccc(O)c2)c1 28762697 AJUVOEUULIBFGK-UHFFFAOYSA-N 351.490 5.099 0 1 FKAF CCCN(CCC)[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 29486289 LBQHPPISBXXENG-NQIIRXRSSA-N 362.344 6.692 0 1 FKAF CN1CCCc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2C1 45191127 RBETUVSLZGJPDW-UHFFFAOYSA-N 364.276 5.015 0 1 FKAF CC(=C/C(=O)O)/C=C/[C@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C 95552731 BOOOLEGQBVUTKC-KKZWRBBKSA-N 352.518 5.900 0 1 FKAF O=C(Nc1cccc(Nc2ccc3c(c2)CCCCC3=O)c1)c1ccccc1 95578116 PWCHNPHKRKIZOS-UHFFFAOYSA-N 370.452 5.592 0 1 FKAF CN1[C@H]2CC[C@@H]1C[C@@H](O[C@H](c1ccccc1)c1ccc(C(C)(C)C)cc1)C2 100834486 IGNVGOLMZFBAMQ-UEQSERJNSA-N 363.545 5.715 0 1 FKAF Cc1ccc2c(c1)N[C@@H](c1ccccc1F)[C@@H]1C(=O)CC(C)(C)CC1=N2 169722121 ZSBMMHHNMNYYCN-SFTDATJTSA-N 350.437 5.379 0 1 FKAF CCN(c1ccc(C(C)C)c(OC[C@@H](C)CF)c1)c1ccc(C(=O)O)cn1 299852313 QGKZBAJLCNMPCT-HNNXBMFYSA-N 374.456 5.046 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2cc(Cl)cc(Br)c2[nH]1 586884099 PQFRUBHAXHNGAU-UHFFFAOYSA-N 371.665 6.107 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586884229 OVSMSDIWULJXAH-WOLPVMLTSA-N 354.803 5.703 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)cc1 586899505 ZFSURBOCNGLIND-UHFFFAOYSA-N 372.321 5.760 0 1 FKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 587051545 TWLMSWKPPCGOAD-RQJHMYQMSA-N 373.070 5.843 0 1 FKAF Fc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c(F)c1F 587051932 VNLSPPSFWTUNBI-NKWVEPMBSA-N 357.162 5.558 0 1 FKAF Clc1cccc(COc2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)c1 587070232 FXTWXESOTBBAHI-UHFFFAOYSA-N 369.251 6.116 0 1 FKAF CC(C)(C)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134810 OYSJVCJMIXMBBC-FNORWQNLSA-N 366.333 5.726 0 1 FKAF CC(C)(C)Oc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(N)cc1F 587135848 GNTFEJFQGAIERU-UHFFFAOYSA-N 368.239 5.435 0 1 FKAF Cc1c(F)ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587151880 VDTDYXXSIBNJFG-FQEVSTJZSA-N 368.358 5.457 0 1 FKAF O=C(c1ccc(OCc2ccccc2)cc1)c1coc2ccc(Cl)cc12 587279167 XPHFURSMGPPXGM-UHFFFAOYSA-N 362.812 5.896 0 1 FKAF CCCc1ccc([C@@]2(C(C)C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587477978 ADPRYSRBGVCCTQ-DEOSSOPVSA-N 366.501 5.814 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3cccc4c3c1CC4)CC2=O 587478146 BJKDPSSJMBLVEJ-RUZDIDTESA-N 372.464 5.477 0 1 FKAF O=C1C[C@@H](c2c[nH]nc2C2CCCCC2)Oc2c1ccc1c2CCCC1 587524204 KSKUUEMCCQDCDD-FQEVSTJZSA-N 350.462 5.043 0 1 FKAF CC(C)Sc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531086 FKJBCRJKLCKBLN-OAQYLSRUSA-N 352.499 5.772 0 1 FKAF Cc1cc(C)c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587603223 ODLHRFFSWNUQAW-XUZZJYLKSA-N 374.436 5.329 0 1 FKAF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2OCc2ccccc2)cc1 587631197 XKUZULDDKIMCPX-UHFFFAOYSA-N 369.798 6.346 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(=O)O)c(-c3cnn(-c4ccccc4)c3)c2c1 587642609 NXHDHZFWGJTBEU-AWEZNQCLSA-N 359.429 5.232 0 1 FKAF Fc1ccc2c(c1)-c1cc(n(/C(=C/c3ccccc3)c3ccccn3)n1)O2 587873780 MHMDSMKXFMZWPU-UDWIEESQSA-N 355.372 5.236 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCCc3cc(OC)ccc32)N1 962962639 YGGWOBQASOQSQY-MZNJEOGPSA-N 360.501 5.071 0 1 FKAF N=C(O)n1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)cc2ccccc21 1772611158 GESXFTKSUVVIGO-UHFFFAOYSA-N 370.412 5.293 0 1 FKAF Cc1cccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc43)c2)c1 1857536497 WWZJSDNLWMILGU-UHFFFAOYSA-N 363.484 5.487 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2F)nc2c1Cc1cccc(O)c1-2 1857575354 VCBAPEUFEHYDMM-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CC(C)=CCc1cccc2c([C@H](C=C(C)C)[C@@H]3C=C=C=C=C=C[C@@H]3N)c[nH]c12 2356471050 JCVMSAVEYTUMSJ-PWWKTKHKSA-N 368.524 5.860 0 1 FKAF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]12C 2356516474 YWASHUVXUAAFLL-LSFBVYBDSA-N 372.637 6.855 0 1 FKAF O[C@H](c1cc(F)cc(Cl)c1)c1nc(-c2ccc3ccccc3c2)c[nH]1 61906415 KUVNZUXWVQZCDJ-LJQANCHMSA-N 352.796 5.104 0 3 FKAF CC[C@@H](C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2F)c1C 590048 IYXFYVXZASNRPP-CQSZACIVSA-N 350.437 5.220 0 1 FKAF Cc1ccc(-c2cnc(Nc3ccc4c(-c5cnco5)c[nH]c4c3)o2)cc1 13819531 AJTJNTFIWHEVRQ-UHFFFAOYSA-N 356.385 5.530 0 1 FKAF CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)(C)Cc1ccccc1 13863322 GJCYNDQJXSXCJR-UHFFFAOYSA-N 374.484 5.964 0 1 FKAF CC1=CC[C@H]2[C@H](C1)c1c(O)cc(C=C=CCCCC(=O)O)cc1OC2(C)C 27748010 CCDFPCRJFJIHKU-XTZVYCCXSA-N 368.473 5.426 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)CCC(=O)OC 28127396 PGPIYPKONDJEPW-QUBWHTJPSA-N 358.522 5.608 0 1 FKAF CCOc1ccccc1-c1nc(CNCc2ccc(C(C)(C)C)cc2)co1 72103894 GAZVKKFWZJRHHP-UHFFFAOYSA-N 364.489 5.328 0 1 FKAF CCN(C)c1ncc(-c2nc3ccccc3s2)c(-c2ccccc2F)n1 82176204 SXYFRBVTTCENQH-UHFFFAOYSA-N 364.449 5.016 0 1 FKAF O=C(Nc1cccc(Cl)c1)Nc1cc(C2CC2)nn1-c1ccccc1 96273839 ORNBSQGNYDYIMI-UHFFFAOYSA-N 352.825 5.047 0 1 FKAF COc1cc2c(cc1OC)[C@@H](c1sc3cccc(C)c3c1Cl)NCC2 204775013 KDSXZMLAZLMRPM-IBGZPJMESA-N 373.905 5.115 0 1 FKAF CC(=O)n1c2cccc(Cl)c2c2cc(-c3ccc4ccccc4c3)nnc21 299822747 CICIINQNDRIQDO-UHFFFAOYSA-N 371.827 5.718 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CCCC[C@H]1CC3 586989718 CXXXKHXOERAVBV-KBPBESRZSA-N 355.437 5.372 0 1 FKAF Cc1nc2ccc(O)c3c2c(c1[C@H]1C[C@H]2CC[C@H]1C2)-c1ccccc1C3=O 586992249 UNPQJAYQCVIWJW-ZQIUZPCESA-N 355.437 5.364 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)cs2)o1 587016505 MIEBVKKFNDNAAS-UHFFFAOYSA-N 350.230 5.562 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c([C@H]3SCCc4sccc43)nc2c1 587037134 SHRMWTYMAXKFIL-ZDUSSCGKSA-N 358.385 5.161 0 1 FKAF Fc1cc2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2cc1Cl 587077118 RDDQGWWNOOYHDS-UHFFFAOYSA-N 358.203 5.738 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C)[C@@H](C(C)C)C4)-c1ccccc1C2=O 587100357 HNPDPLFDQBTJGL-DNVCBOLYSA-N 355.481 5.762 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(C)C)[C@@H]4C)-c1ccccc1C2=O 587101804 WGBDLINXVYIOKR-HOTGVXAUSA-N 355.481 6.077 0 1 FKAF FC(F)(F)Sc1ccc(/C=C\c2nc3cc(Cl)ncc3[nH]2)cc1 587125183 OLONOUPQLDSFPC-UTCJRWHESA-N 355.772 5.394 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cc(F)cc(F)c4[nH]3)c(Cl)c2)cc1F 587145788 QSYJFPXFDSFPGT-UHFFFAOYSA-N 372.777 6.276 0 1 FKAF Cc1cc(F)c2[nH]c(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)nc2c1 587146032 VXJNOQMNNITYBI-UHFFFAOYSA-N 368.814 6.445 0 1 FKAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587168415 IFAMWJBNLMCBNF-QMMMGPOBSA-N 358.722 5.514 0 1 FKAF CC(C)(C)c1nc2cccc3c2c(c1C1CCCCC1)-c1ccccc1C3=O 587205906 HJWDICFKABTVKX-UHFFFAOYSA-N 369.508 6.791 0 1 FKAF CC[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355772 VZMLMJTYCDZYQR-XDCJIHQESA-N 354.421 5.229 0 1 FKAF COc1cccc(-c2cc(-c3cnn(C)c3)nc3c2oc2ccccc23)c1 587363436 NHRULOFXLKQKQB-UHFFFAOYSA-N 355.397 5.057 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1F)([C@@H]1C[C@H]3CC[C@H]1C3)O2 587385453 OBZMHXMJJDFKPU-NCHVFDOVSA-N 365.448 5.013 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2ccccc2)C1(C)C 587486989 YDLUECDSVVQYKG-WZONZLPQSA-N 350.458 5.262 0 1 FKAF O=Cc1cccc([C@]2(C3CCC3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527904 XUBSZCOWURUCMQ-XMMPIXPASA-N 360.453 5.039 0 1 FKAF CC(C)[C@]1(c2ccc3c(c2)CCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587535579 LMYOUBYFYWVIQG-DEOSSOPVSA-N 362.469 5.017 0 1 FKAF CCC[C@@]1(c2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620586 ZTJZLBPTSWMXPI-RXVVDRJESA-N 366.438 5.111 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CCCC3)CC2)N1 587817113 ILSSXZQUWPVVHA-CYBMUJFWSA-N 366.318 5.452 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C)Cc2ccccc2)N1 587820390 PEWDVAQEAUVGIU-VLXJIEOASA-N 362.286 5.042 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2coc3ccccc23)N1 587828415 NHLFFJTUCWOSMH-WLRWDXFRSA-N 374.253 5.132 0 1 FKAF CCCC[C@@]1(c2ccc(Cl)cc2)c2c(F)cccc2C[C@H]2CCCN21 963119861 ZVEIRBFSOBYUFZ-DENIHFKCSA-N 357.900 5.933 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cc(Cl)c(O)cc1Cl 963226867 IDGOVALBESQCAX-CWTRNNRKSA-N 350.289 5.445 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCCCC(=O)OCC)C1CCC1 963231351 QMSPEBXRXCCACS-DVECYGJZSA-N 371.565 5.462 0 1 FKAF COc1cccc(Cn2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)c2)c1 1772646087 KSULQDOUIPTBGR-UHFFFAOYSA-N 371.436 5.290 0 1 FKAF CO[C@H](C1CCCCC1)[C@@H](C)C=CCC(=O)OCCCc1ccccc1 1857623338 WFDPQRQYLWKFNQ-CVDCTZTESA-N 358.522 5.340 0 1 FKAF C[C@@H]1CC=C[C@](C)([C@H]2CCC[C@@H](Cc3cc(O)cc(CCCO)c3)C2)C1 2356469212 DVJZTXYZOKNCCM-OQZHBAMCSA-N 356.550 5.658 0 1 FKAF CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@]2(C)[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@H]31 2356481411 PQZMZRVBJLKEFN-LEHRBLICSA-N 368.517 5.436 0 1 FKAF COc1ccc(-c2ccccc2Cl)cc1C12CC3CC(CC(C3)C1)C2 2382247022 GLKZBWPVWZTEBJ-UHFFFAOYSA-N 352.905 6.483 0 1 FKAF Cc1ccc(-c2cccc(-c3cc(=O)oc4ccc(C(C)(C)C)cc34)c2)cc1 13814063 VBJARKXPUUGEPN-UHFFFAOYSA-N 368.476 6.733 0 3 FKAF aggregator Cc1ccc(Cc2c(-c3cccc(Cl)c3)nc3ccc(Cl)cn23)cc1 72121509 XCVCLXJGMKIUPC-UHFFFAOYSA-N 367.279 6.207 0 3 FKAF CN(C)Cc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 8536371 QPRPWLRGVVKXAH-UHFFFAOYSA-N 372.447 5.006 0 1 FKAF CCc1c(SCc2ccc(C(C)(C)C)cc2)oc2ccccc2c1=O 13589024 JVKLCBAOTUKZNE-UHFFFAOYSA-N 352.499 5.945 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccc(N)cc1C(=O)O 13602643 FKEMAUMWEMJROF-IJUJUXHTSA-N 373.562 6.478 0 1 FKAF CCCN(CCC)CCc1cccc(OC)c1OCCCc1ccccc1 13795844 WYSXZUJEDLDTOM-UHFFFAOYSA-N 369.549 5.371 0 1 FKAF C=C[C@](C)(O)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](Br)CC[C@@]12C 14861008 DOQDXPQNPHVLQP-QKMNUUQDSA-N 369.387 5.876 0 1 FKAF biogenic CC(C)[C@@H](c1ccc(Br)cc1)c1c(O)c2ccccc2oc1=O 16051572 KGDWLSFLMSFPSU-INIZCTEOSA-N 373.246 5.049 0 1 FKAF in-vivo CN1CC(c2ccc3c(-c4ccncc4)c(-c4ccc(F)cc4)[nH]c3c2)C1 40428764 LCKAEEZYJHPUIR-UHFFFAOYSA-N 357.432 5.065 0 1 FKAF Cc1ccc(CCCc2ccc(Nc3ncccc3C(=O)O)cc2)cc1C 40934112 BGRHOAWKLXWNLM-UHFFFAOYSA-N 360.457 5.316 0 1 FKAF CCCCOc1ccc([C@H](CC)NC(=O)Oc2ccc(F)cc2F)cc1 45357133 OUGGRSQJZDSDPU-SFHVURJKSA-N 363.404 5.383 0 1 FKAF CC(C)(C)c1ccc(-c2cnc(Nc3cccc4c3C[C@@H](O)CC4)o2)cc1 53297120 XPYZHUCGSARLAB-SFHVURJKSA-N 362.473 5.232 0 1 FKAF C[C@H]1C[C@@H]1/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 66112350 ZZBNLFUDCSYRKU-KNOIBNBWSA-N 364.573 6.713 0 1 FKAF in-vitro c1ccc2c(c1)N[C@H](c1ccc3oc4ccccc4c3c1)[C@H]1CCCO[C@@H]21 72118934 HSLALPZCCXRVQM-QFWMQHCXSA-N 355.437 6.221 0 1 FKAF CCCCc1ccc(-c2nc(CN[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)co2)cc1 72183903 GFXRNZLIXAPNDA-DGEVVOEJSA-N 366.549 5.845 0 1 FKAF CCCC[C@H](CC)CC(=O)c1ccccc1C(=O)C[C@H](CC)CCCC 72187399 ZUUMDAOVLDVZID-BGYRXZFFSA-N 358.566 7.265 0 1 FKAF Cc1nc(SCC(=O)c2cccc(Cl)c2)n(Nc2ccccc2)c1C 103244307 FMQKOCTXBRSSLV-UHFFFAOYSA-N 371.893 5.004 0 1 FKAF COc1ccc(-c2ccc(Sc3ccccc3CC(=O)O)cc2)cc1 113551763 SBPHMLJEBLNVAI-UHFFFAOYSA-N 350.439 5.141 0 1 FKAF C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\N=C/C=C/c1ccco1 169327221 USRKGXQOIVXCIU-DTJDJAJVSA-N 369.877 5.249 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(C)ccc(C)c3[nH]2)c1 586882338 OEUTUUQJCQMKSH-UHFFFAOYSA-N 354.453 5.695 0 1 FKAF c1ccc(COc2cccc3nc([C@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c23)cc1 586885960 XYIKFWWJPRGCGF-RGKFVRLKSA-N 358.485 5.610 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 586896941 VAUNPQQPZNAACY-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF CCCC(Br)(CCC)c1nc2cc(Cl)nc(Cl)c2[nH]1 586971427 RPEFZGQBTKAULY-UHFFFAOYSA-N 365.102 5.455 0 1 FKAF CCc1c(-c2ccsc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586994571 WSMXQBFRAHGCNW-UHFFFAOYSA-N 357.434 5.443 0 1 FKAF Clc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2n1 587065299 XMOAFFRARVSNKX-UHFFFAOYSA-N 360.200 5.104 0 1 FKAF CCCCCC[C@@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100840 PMQBMYBFCVKXHT-QGZVFWFLSA-N 369.508 6.755 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H]3c1ccc(F)cc1 587102927 BSGNCXOWAQZYDP-INIZCTEOSA-N 365.407 5.663 0 1 FKAF COc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1F 587114570 UNXUASMNTCIFQC-SNVBAGLBSA-N 352.331 5.076 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cc(Cl)cnc4[nH]3)c(Cl)c2)cc1F 587144735 CNNSRAFXVNJSPI-UHFFFAOYSA-N 372.230 6.046 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(Br)c(F)c3[nH]2)c1F 587152536 PJFQYYULPAWUBI-RKDXNWHRSA-N 367.168 5.014 0 1 FKAF Cc1c(-c2nc3cnc4ccccc4c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165962 JDHWPLVLSJNGMM-UHFFFAOYSA-N 356.404 5.231 0 1 FKAF CC(C)Oc1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587229180 BBBGBFSLIVDACR-UHFFFAOYSA-N 358.445 5.024 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(C)c(C)cc3[nH]2)c1 587239065 UHVZYTGEBZTCCB-UHFFFAOYSA-N 356.473 5.789 0 1 FKAF COc1cccc(-c2cc(C[C@@H]3CCCO3)nc3c2oc2ccccc23)c1 587367327 VMQRCVVWWIAIFT-SFHVURJKSA-N 359.425 5.378 0 1 FKAF CCC[C@@]1([C@@H](CC)Sc2ccoc2C)CC(=O)c2cc(C)cc(N)c2O1 587407810 CJNXMXCGHYYXIQ-CTNGQTDRSA-N 373.518 5.554 0 1 FKAF C[C@@H](C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1cn(C)c2ccccc12 587515388 LYHIAUWCGKQWCV-FUHWJXTLSA-N 373.496 5.585 0 1 FKAF Cc1ccc2[nH]c3c(c2c1)CC[C@]31CC(=O)c2ccc3c(c2O1)CCCC3 587524937 MPDPMNQPGVVOGU-DEOSSOPVSA-N 357.453 5.162 0 1 FKAF C[C@@]1(C2CCCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602011 HTZYVBNHFDXQQB-KNQAVFIVSA-N 352.430 5.083 0 1 FKAF CCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 587629562 BLQQOSMFVRJTGW-UHFFFAOYSA-N 355.762 6.599 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(Cc3c(C)[nH]c4ccccc4c3=O)c2c1 587644547 ZPRBRYXTRBOMDY-CQSZACIVSA-N 358.485 5.731 0 1 FKAF CC(C)[C@@H]1CCC[C@@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587820213 ZBOKZPPIQTYTKO-LPMFXHHGSA-N 368.334 5.554 0 1 FKAF Cc1ccc(C)c(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 587958428 BPDZLKPSGAMHDA-UHFFFAOYSA-N 372.312 5.808 0 1 FKAF CC(C)(C)CC(C)(C)NC(=O)Nc1ncccc1OCc1cccc(F)c1 1772620475 QQYYFVHVSNOLPR-UHFFFAOYSA-N 373.472 5.136 0 1 FKAF Cc1ccncc1C1=CC=C2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1772639178 NKUZBGADMLLMCT-ZNWBHODBSA-N 363.545 5.707 0 1 FKAF Cc1ccc([C@H]2c3c(Cl)nnnc3Oc3ccc4ccccc4c32)cc1 1857607988 SJQBYEZJCPUJJE-QGZVFWFLSA-N 359.816 5.273 0 1 FKAF Clc1c(NNc2nc(-c3ccccc3)cs2)sc2ccccc12 1857758305 LVVKLZHEKFSULL-UHFFFAOYSA-N 357.891 6.117 0 1 FKAF Clc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 2382244967 WNHWHMBSPFMPPM-KBGQBGIWSA-N 359.900 6.790 0 1 FKAF CCCCCc1ccc([C@@H]2c3c(C)c(N)c(C)c(C)c3OC2(C)C)cc1 13652135 WXTTZVQWBUCLHC-OAQYLSRUSA-N 351.534 6.230 0 1 FKAF CC(C)(C)c1cc(-c2cc(=O)c3ccc(O)cc3o2)cc(C(C)(C)C)c1O 26650293 NQGOGAQCIYENLX-UHFFFAOYSA-N 366.457 5.466 0 1 FKAF Clc1ccc(CNc2cc(Oc3cccc4cccnc34)ncn2)cc1 34055362 OHACSGIPMKGKHW-UHFFFAOYSA-N 362.820 5.083 0 1 FKAF CC[C@@]1(C(=O)Nc2nccs2)CC2c3ccccc3C1c1ccccc12 40915329 QTPVFTICRYPNBH-OBFZPWGMSA-N 360.482 5.159 0 1 FKAF COc1ccc(-c2nc(-c3ccccc3)cn3c2nc2ccccc23)cc1 66078620 WZQMHOLJBCUGOB-UHFFFAOYSA-N 351.409 5.225 0 1 FKAF Cc1cc([C@@H]2[C@H]3CC[C@@H](C[C@H]2c2ccc(Br)cc2)S3)on1 66101158 YEUFVHULUPJOQC-XJNFMUPTSA-N 364.308 5.281 0 1 FKAF c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3cccs3)CO2)cc1 71319080 VWWCNBBOUNLRTM-UNMCSNQZSA-N 363.526 5.217 0 1 FKAF C[C@H](Cc1ccccc1)N[C@H]1C[C@H]2c3ccccc3CCc3cccc1c32 169359720 DNSDIYWJKBRJKP-YWWLGCSWSA-N 353.509 5.583 0 1 FKAF Cc1cccc([C@@H](C[C@H](N=O)c2ccncc2)c2ccc(N(C)C)cc2)c1 169730242 JLEQHPJQHNOEBF-GOTSBHOMSA-N 359.473 5.486 0 1 FKAF CCCCOc1cc2nc([C@@H]3C[C@@]3(C)CC)[nH]c2cc1Br 586890880 PMXGBMMOBZPVAS-APPDUMDISA-N 351.288 5.408 0 1 FKAF CC[C@H](C)[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992165 YDKNMVJZTAQQBK-KBPBESRZSA-N 357.453 5.618 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(F)cc4F)nc13)-c1ccccc1C2=O 586994862 FMKPPAZOERBFIZ-UHFFFAOYSA-N 357.359 5.700 0 1 FKAF CC(C)(C)c1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029312 NVSYLIZPBDHJIU-UHFFFAOYSA-N 363.486 5.563 0 1 FKAF COc1cc(/C=C/c2nc3cccc(F)c3[nH]2)cc(Cl)c1OCC(C)C 587047621 YVAXNLCSQJZWRI-BQYQJAHWSA-N 374.843 5.569 0 1 FKAF Clc1nc(-c2nc3c(ccc4ncccc43)[nH]2)ccc1-c1ccccc1 587083622 CIPGQLFQACRDCH-UHFFFAOYSA-N 356.816 5.494 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C(C)C)CC[C@H]4C)-c1ccccc1C2=O 587100634 MZGOBYKQAKUZHR-GDBMZVCRSA-N 355.481 6.392 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(C(=O)O)cs4)nc13)-c1ccccc1C2=O 587102889 RLSZMIXAGOTXBW-UHFFFAOYSA-N 371.417 5.181 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc4[nH]c(O)cc4c3)nc3cccc1c23 587107855 VWSKHSGWTFWVEA-UHFFFAOYSA-N 362.388 5.300 0 1 FKAF COc1cccc(-c2cc(/C=C\C=C(C)C)nc3c2oc2ccccc23)c1 587366617 XJQLLECYSYTWQO-POHAHGRESA-N 355.437 6.636 0 1 FKAF CC[C@]1(c2c(F)ccc(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505207 LSKPNZGADBHKSU-OAQYLSRUSA-N 360.375 5.253 0 1 FKAF CCCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587526684 ZDPOBXQVXZAIAK-QFIPXVFZSA-N 366.457 5.156 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccccc3)s2)Oc2c1ccc1c2CCCC1 587532643 RFKNEZPASRYNGJ-FQEVSTJZSA-N 360.478 6.000 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 587565109 WNQPOPGMEDZRAE-UHFFFAOYSA-N 363.383 5.243 0 1 FKAF COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2cccnc2)cc1 587632066 CWJXKBGTIHJNGA-UHFFFAOYSA-N 352.796 5.698 0 1 FKAF COc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(OC)c1C 587787577 LVDBNHVOADVUCD-UHFFFAOYSA-N 370.758 5.228 0 1 FKAF CCCCCC[C@]1(CCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812823 KWQGOGWDTGSGGM-LIRRHRJNSA-N 370.350 6.088 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2C2CCCC2)N1 587823903 SIXJGFCKXAMZOJ-KPAZRMRSSA-N 366.318 5.308 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccccc3c2)N1 587824162 UWFHEZLPCFFRMN-YUNKPMOVSA-N 370.265 5.365 0 1 FKAF CC(C)c1ccccc1NC(=S)n1nc2cc1Oc1ccc(F)cc1-2 587876643 SIWFYJCZKDIQQV-UHFFFAOYSA-N 353.422 5.163 0 1 FKAF CN(C/C=C/c1ccc(Br)cc1)Cc1ccc2c(c1)CCCC2 653819860 OPLIRQUSXAYELB-SNAWJCMRSA-N 370.334 5.473 0 1 FKAF C[C@H]1CC=C(NNc2nc(-c3ccc(Br)cc3)cs2)CC1 958043814 AOBRVNNRGNIMLF-NSHDSACASA-N 364.312 5.193 0 1 FKAF C[C@H]1CCC[C@]2(C1)c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961778834 SXIHSSMCEXEFAB-HJPURHCSSA-N 370.537 5.243 0 1 FKAF Cc1cccc(Cl)c1-n1cnc2ccc(-c3ccc(F)cc3)cc2c1=O 1857545344 VPPQONGLYBUTOR-UHFFFAOYSA-N 364.807 5.154 0 1 FKAF Cc1cc(C)c(NC(=O)c2nc3cc(C(F)(F)F)ccc3s2)c(C)c1 1857760361 QDJLTSWSSNPUOJ-UHFFFAOYSA-N 364.392 5.493 0 1 FKAF CC(C)=CC=C[C@]1(C)CCc2c(O)c(C(=O)O)c(C)c(CC=C(C)C)c2O1 2356425383 LJFBYGPHKHZLQD-HSZRJFAPSA-N 370.489 5.514 0 1 FKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(OC)CC[C@@]21C)C(C)C 2356473694 NXGGSWGPPXFCIU-FAALNCNKSA-N 360.538 5.513 0 1 FKAF C[C@@H](NC(=O)c1ccc2nc(CCc3ccccc3)oc2c1)c1ccccc1 8611052 HZJXHPWFHHYHDP-QGZVFWFLSA-N 370.452 5.104 0 1 FKAF COc1ccc2c([nH]c3cc(O)c(C)cc32)c1C/C=C(\C)CCC=C(C)C 15206001 OFHARTBNOLXMFZ-CXUHLZMHSA-N 363.501 6.579 0 1 FKAF O=c1[nH]c(-c2ccc(Oc3ccccc3)cc2)nc2sc3c(c12)CCCC3 28120076 ZHLBUMYBXXQMAL-UHFFFAOYSA-N 374.465 5.323 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C)C[C@H]3C(=C(C(=O)O)[C@@]45CC[C@@H](C)[C@@H]4CC[C@@]35C)C[C@@H]12 28536361 GTPDAZPJWLNUDK-ITNRSYJBSA-N 370.577 6.312 0 1 FKAF Cc1ccc2c3c(ccc2c1)OC(=O)C[C@H]3c1ccc(-c2ccccc2)cc1 29151411 PUBZREAWHHHCSP-QHCPKHFHSA-N 364.444 6.256 0 1 FKAF c1ccc2c(Nc3nsc(Nc4cccc5ccccc45)n3)cccc2c1 40395421 CJCJNHOKQMOWIY-UHFFFAOYSA-N 368.465 6.332 0 1 FKAF CC(C)(C)c1cccc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)c1 40404647 RRGOFRYRKFCNKT-UHFFFAOYSA-N 361.445 5.815 0 1 FKAF CC1(C)CCC(C)(C)c2cc([C@@H]3O[C@H]3c3ccc(C(=O)O)cc3)ccc21 40802056 RQPFFBDHHKQKFQ-PMACEKPBSA-N 350.458 5.546 0 1 FKAF CC[C@H](C1CC1)n1cc(Cl)nc(N(CC)c2c(C)cc(C)cc2C)c1=O 43120191 YTQGVLORWZYCFL-QGZVFWFLSA-N 373.928 5.341 0 1 FKAF Cc1c(Cl)cccc1Oc1cccn2c(C[C@@H]3C[C@H]4CC[C@@H]3C4)nnc12 72108884 JQYYWVQHGKKNJP-XHSDSOJGSA-N 367.880 5.462 0 1 FKAF CN(c1ccccc1)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 143412553 KZQIULSJWDDSCT-FQEVSTJZSA-N 355.359 5.233 0 1 FKAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)c3cccc(F)c3)ncc2c1 144357038 LWXTUHDFMANJFZ-UHFFFAOYSA-N 374.390 5.741 0 1 FKAF Cc1cncc(C2=CC[C@H]3[C@@H]4CC[C@H]5COCCC[C@]5(C)[C@H]4CC[C@]23C)c1 169208458 FIBWLJFINJMYOP-ABVATSDPSA-N 365.561 6.053 0 1 FKAF COc1ccc(NC(=N)Cc2ccccc2)cc1CSC1CCCC1 169352358 FZLSOKNZWMSLFG-UHFFFAOYSA-N 354.519 5.503 0 1 FKAF Clc1cc(Cl)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587048171 FZPUFLYTDSKNFT-RKDXNWHRSA-N 372.082 6.448 0 1 FKAF O=C1c2ccccc2-c2cc(CCc3ccc(F)cc3)nc3cccc1c23 587103913 KUFAKQNNHNHHPB-UHFFFAOYSA-N 353.396 5.371 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4c(C)nc(C)cc4[nH]3)ccc2F)cc1 587139478 LBTQRYGGBFZSER-UHFFFAOYSA-N 359.404 5.250 0 1 FKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc3ccccc3cc2[nH]1 587235422 MEXGOBLZPKDIEF-IAGOWNOFSA-N 365.477 5.267 0 1 FKAF CCC[C@]1([C@H](C)CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354056 MNITUDOFYIFEAU-VQUVXCFPSA-N 356.437 5.475 0 1 FKAF CC(C)C[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359132 ZOXMTKAWWDDADI-NFBKMPQASA-N 370.464 5.721 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1[nH]c1ccccc31)CC2=O 587486637 RZVCDYURWIQIAU-QHCPKHFHSA-N 361.441 5.023 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccncc1)CC2=O 587492843 XWLGKPBDVFQWBW-JOCHJYFZSA-N 359.425 5.113 0 1 FKAF CC(C)Oc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521727 JRTAQVDTTUOQRG-HSZRJFAPSA-N 350.458 5.233 0 1 FKAF Fc1ccc2c(Nc3cccc(C(F)(F)F)c3)c(-c3ccccc3)[nH]c2c1 587633598 HHUNGGYBIYKDDM-UHFFFAOYSA-N 370.349 6.736 0 1 FKAF Cc1ccc2c(c1)[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816891 FLZBQUPLRQCMQA-RBZFPXEDSA-N 374.297 5.011 0 1 FKAF CC(C)[C@H]1CC[C@H](C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587831351 XBHVTBWTJPSLLJ-CTQRGLTFSA-N 368.334 5.410 0 1 FKAF CC(C)=C1NCCc2ccc([C@H]3NCCc4c(Cl)cc(Cl)cc43)cc21 963106788 LLRSQVKKGVMGQR-OAQYLSRUSA-N 373.327 5.125 0 1 FKAF Cc1ccc2nc(-c3ccc(F)cc3)cc(C(=O)OCc3ccccc3)c2c1 1857561135 JWSCZDUDYWOXND-UHFFFAOYSA-N 371.411 5.706 0 1 FKAF O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(Cl)c(F)c1 1857575890 UZBDVVZJZZBBJN-UHFFFAOYSA-N 366.779 5.540 0 1 FKAF CC(C)=CCC[C@]1(C)CC[C@@H]2C(C)=CCC[C@@]2(C)[C@@H]1CCC(C)=CC(=O)O 2356797950 OQQNJVBLPBUXTO-WMMXXEOUSA-N 372.593 7.323 0 1 FKAF CCCc1nc2c3ccccc3ccn2c1Cc1ccccc1C(F)(F)F 72138371 NXIFIPQHUDVXQB-UHFFFAOYSA-N 368.402 6.050 0 3 FKAF CCCC1CCC2(CC1)CC[C@H]2OC(=S)Nc1ccc(Cl)cc1 205704456 RGVIKTLWFPFCNL-LTCLLZNKSA-N 351.943 6.193 0 3 FKAF O[C@H](CCCCCCOc1cccc(-c2ccccc2)c1)c1ncco1 13587178 RNAZYOXFKRQFCF-OAQYLSRUSA-N 351.446 5.405 0 1 FKAF COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@@H]32)c1 14514734 VXQUGYOYJDITTO-GAJAMHEMSA-N 372.505 5.226 0 1 FKAF biogenic C/C=C/c1ccc2oc(-c3c(OC)cc(OC)c(OC)c3OC)cc2c1 14680334 DPMJPJLSSHPBNQ-VOTSOKGWSA-N 354.402 5.167 0 1 FKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)cc1CCc1ccccc1 15253825 UOVQVQCTFRPVOW-XDHOZWIPSA-N 350.502 6.118 0 1 FKAF CC(C)(CCCCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O 26180443 ALPCCMYAJZAWAO-UHFFFAOYSA-N 370.574 6.669 0 1 FKAF C(=C/c1nc2ccccc2o1)\c1ccc(OCCCCCn2ccnc2)cc1 29473903 AURYGUKAUOAJHV-JLHYYAGUSA-N 373.456 5.444 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c([C@@H]2C=C(C)[C@@H]3C[C@H]2C3(C)C)c(O)c1 29561863 LBBFVAWQNJMLBX-HSALFYBXSA-N 370.577 7.052 0 1 FKAF Cc1nn(-c2cccc(C(C)C)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12 40949396 KJXJPUPIAYZGOR-KRWDZBQOSA-N 370.500 6.025 0 1 FKAF O=C(Nc1ccccc1-n1cccn1)c1cccc2c1oc1ccccc12 45366681 ZYHOHHKHUXARCX-UHFFFAOYSA-N 353.381 5.024 0 1 FKAF CC(C)[C@H]1N=C(c2ccccc2)c2ccccc2N(Cc2ccccc2)C1=O 66111677 WVEQYGJNFPZSQC-HSZRJFAPSA-N 368.480 5.095 0 1 FKAF Clc1cc(Br)c2c3ccccc3nn(-c3ccccc3)c1-2 68583815 WZOVMXPLNHEFCH-UHFFFAOYSA-N 357.638 5.546 0 1 FKAF biogenic Cc1cccc(C)c1NC(=O)c1cccc(-c2cc(Cl)ccc2Cl)n1 72183682 CZEBDHPDMGIZTR-UHFFFAOYSA-N 371.267 5.925 0 1 FKAF CCN(CC)C(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100294139 RZCHUWOWWZKPOH-LWMMKVNCSA-N 374.528 5.465 0 1 FKAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1CSCC1CCCCC1 101366317 NWFGCXFIIAQPKD-NWWRLYTCSA-N 366.567 5.295 0 1 FKAF Oc1sc(Nc2ccc(Br)cc2)nc2c3ccccc3nc1-2 101494526 JJDVFHAITIXRFR-UHFFFAOYSA-N 372.247 5.008 0 1 FKAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 141151262 PHWQETUJUHDLNN-HSZRJFAPSA-N 370.172 5.371 0 1 FKAF CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccccc1 223654300 CZCDHWYBLWNFID-UHFFFAOYSA-N 362.256 6.351 0 1 FKAF Cc1cccc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c12 586981705 LZYNVNSOVMAIIL-UHFFFAOYSA-N 373.294 5.726 0 1 FKAF Cc1cnc2[nH]c([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 587068556 BBIFHRITOLEEBQ-IGRMAVJHSA-N 372.299 5.939 0 1 FKAF Cc1cc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2cc1Cl 587073265 ACTWJSPKQOUKIF-UHFFFAOYSA-N 367.279 6.821 0 1 FKAF Cc1c(-c2ccccc2O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587100762 IAHARBNLKYXUNP-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF Cc1cc2c(cc1C)-c1nc3c(C)ccc4c3c(c1C2)-c1ccccc1C4=O 587101348 SJUWQJJIAWUTCF-UHFFFAOYSA-N 361.444 5.943 0 1 FKAF CC(C)(C)Oc1cc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(N)cc1F 587135699 BEKIQLKDOARBPU-UHFFFAOYSA-N 355.457 5.426 0 1 FKAF CCCCCc1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366493 UPSYXZZJQILRRD-UHFFFAOYSA-N 359.469 6.698 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)c(C)cc1Cl)CC2=O 587460711 OXBAQYWDDBNIMM-NRFANRHFSA-N 358.865 5.496 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(CC(C)C)c1C)CC2=O 587469836 GSNYMNBXGYCTNW-OAQYLSRUSA-N 355.478 5.126 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3ccccc13)(C(C)C)CC2=O 587482419 IWZSNICQEOPSDW-HSZRJFAPSA-N 363.457 5.343 0 1 FKAF Cc1cc(C)c2nc(O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587525087 MHXHQZSMRYQSLV-NRFANRHFSA-N 373.452 5.143 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)c3ccc(F)cc3)c(C(F)(F)F)[nH]c12 587624863 VMEHHFGHHNZUJW-UHFFFAOYSA-N 355.718 5.519 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3OC)c(C(=O)C(F)F)c2c1 587640554 FOMZDQGLFDUHGB-LBPRGKRZSA-N 357.400 5.805 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(Cl)c2)N1 587717563 LHRSEWFSQFWAIK-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C=C2CCCCC2)N1 587816251 VWINIXYMUOYVMR-KPZWWZAWSA-N 352.291 5.228 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@@H](C)c2ccccc2)N1 587817440 CBOFSXOTDJRSSQ-VLXJIEOASA-N 362.286 5.357 0 1 FKAF CC[C@H](OC(=O)c1ccccc1)c1nc(-c2cccc(Cl)c2)cs1 587920341 ICVADQAJDTURHE-KRWDZBQOSA-N 357.862 5.772 0 1 FKAF Fc1ccc(-c2csc(COc3ccccc3-c3ccccc3)n2)cc1 587923173 SOFMDHBTIRIQAZ-UHFFFAOYSA-N 361.441 6.195 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccccc2)(C2CCCCC2)N1 962957265 OFSVCTVCLJZEDB-RLWLMLJZSA-N 372.556 6.111 0 1 FKAF CCC(CC)[C@@]1(Cc2ccccn2)c2c(F)cccc2C[C@@H]2CCCN21 963106168 QVNHVUUFGBIEOV-REWPJTCUSA-N 352.497 5.115 0 1 FKAF CCC[C@@H](O)CC[C@@](C)(O)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356716541 QFNAZHJHBGQQAF-QPPBQGQZSA-N 364.614 6.712 0 1 FKAF Clc1ccc(-c2cn3c(nc4ccccc43)c(/C=C/c3ccco3)n2)cc1 5596405 LPSFVDCTKAKJMD-VAWYXSNFSA-N 371.827 5.966 0 1 FKAF O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc2ccccc2cc1C(=O)O 13531822 LCQIGIDPNWGZGO-UHFFFAOYSA-N 374.318 5.201 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c([C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c(O)c1 13681083 JLGDXTIZMZJIMY-SESVDKBCSA-N 374.609 7.522 0 1 FKAF CCCC(=O)c1cnc2c(/C=C/CO)cccc2c1Nc1ccccc1C 13742236 GEKMJJAJDXVUIS-YRNVUSSQSA-N 360.457 5.275 0 1 FKAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@@H]1C[C@@H](C)CCC=C(C)C 26816635 DUQKWXIFKLCNNB-KBPHNNNPSA-N 363.498 5.103 0 1 FKAF Clc1ccc(CCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 28118813 WFMXMMMNVQJZGL-ZRZAMGCNSA-N 360.888 5.757 0 1 FKAF CCCc1cccc2cc(-c3ccc(-c4cc(C)c(C(=O)O)cc4C)[nH]3)oc12 29469731 WNXPXYLEMZNWBZ-UHFFFAOYSA-N 373.452 6.362 0 1 FKAF CC(=O)C1=NN(c2ccccc2)SC12c1ccccc1Oc1ccccc12 40974161 AWYRAMKLSOQSJW-UHFFFAOYSA-N 372.449 5.149 0 1 FKAF COc1cccc(NCCC2(c3ccccc3)CC(C)(C)OC(C)(C)C2)c1 72107736 AGLCGCXQQDBYKJ-UHFFFAOYSA-N 367.533 5.803 0 1 FKAF COc1ccc(C(=O)N2c3ccccc3Oc3ccc(Cl)cc32)cc1 72108942 ZRKYSTMNLJOHQT-UHFFFAOYSA-N 351.789 5.433 0 1 FKAF C[C@@H]1C[C@H](NCc2coc(-c3ccc(-c4ccccc4)cc3)n2)CC(C)(C)C1 72180467 GQDUWEFODKVNOL-GCJKJVERSA-N 374.528 6.313 0 1 FKAF CCCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccccc2C)cs1 82197874 ZMUJVLZENRYPLK-SFHVURJKSA-N 373.566 5.252 0 1 FKAF O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(Cl)cc2)cc1 84709787 QEKZWOAOQYAUMM-UHFFFAOYSA-N 366.844 5.603 0 1 FKAF CCC[C@@H](C(=O)O)c1c(C)nc2c3ccccc3nn2c1-c1ccc(C)cc1 140347258 ZCHVIKJTLWPNBL-GOSISDBHSA-N 373.456 5.135 0 1 FKAF CCOC(=O)c1c(-c2ccccc2)oc2ccc(Oc3ccccc3)cc12 169337524 YFFAOTPADVEMBQ-UHFFFAOYSA-N 358.393 6.069 0 1 FKAF COc1ccccc1-c1cc2c(NCc3cccs3)ncnc2s1 299863965 QPHDGMSNEOJVKJ-UHFFFAOYSA-N 353.472 5.041 0 1 FKAF Cc1cc(Cc2nc3ccc4c(c3[nH]2)CCCC4)ccc1Br 586977824 SZNYKTLLWMSYBH-UHFFFAOYSA-N 355.279 5.103 0 1 FKAF Cc1cc2[nH]c(-c3sc(-c4ccc(Cl)cc4)nc3C)nc2c(C)n1 587014157 HPQZTTMSTDSNER-UHFFFAOYSA-N 354.866 5.327 0 1 FKAF CCc1cc(OCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1Cl 587052879 RDTQYONYWZFXMX-UHFFFAOYSA-N 372.749 5.516 0 1 FKAF Clc1ccc(-c2ccc(-c3nc4c5c(ccc4[nH]3)CCCC5)cc2)nn1 587087934 PQSMEMRYXKRDJV-UHFFFAOYSA-N 360.848 5.219 0 1 FKAF CCCc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587099886 WTLSLTBLIAYTHW-UHFFFAOYSA-N 363.460 6.374 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@@H]3C(F)(F)F 587104578 YWGAQTHTROUSDB-AWEZNQCLSA-N 353.343 5.428 0 1 FKAF CC(C)(C)c1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587133767 CAXPPWYCPIILNV-BQYQJAHWSA-N 366.333 5.726 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587162985 YSRLIFJVZVDWCH-RBUKOAKNSA-N 358.416 5.552 0 1 FKAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587168377 HHVGKRBUGIOPMQ-AWEZNQCLSA-N 360.388 5.073 0 1 FKAF Clc1ccc(COc2ccccc2-c2cc3c4c(cccc4n2)CC3)cc1 587208997 FAILLOGMUZHOAL-UHFFFAOYSA-N 371.867 6.233 0 1 FKAF CCC[C@]1([C@@H](C)CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354053 MNITUDOFYIFEAU-UPNLOYSTSA-N 356.437 5.475 0 1 FKAF CCC[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357557 VETJQXJHNCCIOE-UGKGYDQZSA-N 356.437 5.475 0 1 FKAF COc1cccc(-c2cc([C@@H](C)OC(C)=O)nc3c2oc2ccccc23)c1 587364143 XVRSPPPTRZLZEI-CYBMUJFWSA-N 361.397 5.281 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3Cl)s1)O2 587411797 VVAJAKFARNPJPO-KRWDZBQOSA-N 369.873 5.666 0 1 FKAF Cc1ccc([C@]2(C3CCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524645 LUIJJJGJVBMIDL-RUZDIDTESA-N 360.497 5.925 0 1 FKAF CC(C)[C@@]1(COCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587527805 YVGUODWBRSJOJG-DEOSSOPVSA-N 364.485 5.142 0 1 FKAF CC1(C)CC(=O)C(c2c(-c3ccc(F)cc3)[nH]c3cccc(F)c23)C(=O)C1 587634157 BTTHLBYEOODCKY-UHFFFAOYSA-N 367.395 5.155 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587951906 VERQZFSNXBJIMN-NSHDSACASA-N 357.240 6.163 0 1 FKAF COc1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)ccc1OC(C)C 962665489 KTTWVNNGAHNKNH-VWLOTQADSA-N 373.496 5.385 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccsc2)(C2CCCC2)N1 962953809 WHQPCDCPAOXCJO-JTSKRJEESA-N 350.531 5.588 0 1 FKAF CC(C)=CCc1cc(/C=C/C(=O)O)ccc1OC(=O)CC1CCCCC1 1857589574 JTXHBRZYGVWQRZ-JLHYYAGUSA-N 356.462 5.169 0 1 FKAF CCOC(=O)c1c(-c2cc(C)cc(C)c2)[nH]c2c1cc(O)c1ccccc12 1857653552 SQNRPWQCDWAEHH-UHFFFAOYSA-N 359.425 5.487 0 1 FKAF COC(=O)C=C(C)CC[C@@H]1[C@](C)(OC=O)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356304370 CEHXOVCCJGHXEP-GMQQQROESA-N 364.526 5.060 0 1 FKAF CCO[C@@H]1C[C@H](c2ccccc2)Oc2cc3c(c(OC)c21)C=CC(C)(C)O3 2356393420 JUEHBQGSIXIHCE-IEBWSBKVSA-N 366.457 5.481 0 1 FKAF CCCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(OC(C)=O)c1O 2356421553 NQWZDPKQSSITCN-UHFFFAOYSA-N 374.521 5.991 0 1 FKAF CC(=O)O[C@@H]1C[C@]2(C)C(C)=CCC[C@@H]2[C@@](C)(CCC(C)=CC(=O)O)[C@@H]1C 2356494445 DJEUHRRTZPCWNH-QYWQTSRKSA-N 362.510 5.138 0 1 FKAF CC(=O)O[C@@H]1CCC(C)=CC=C(C(C)C)CCC2=CCC[C@@]1(C)OC2=O 2356637332 PSJHYYPVPGHZAJ-IFMALSPDSA-N 360.494 5.043 0 1 FKAF CC(=O)O[C@@H](CC(C)=CCCc1ccoc1)C[C@@H](C)CCCc1ccoc1 2356661546 FTIFGDQWFHYSPU-CVDCTZTESA-N 372.505 6.122 0 1 FKAF CC(=O)OC=C1CC[C@H](C)[C@](C)(CCc2ccoc2)CC=CC=C1C(=O)O 2356694819 JRQGPOFUTKGREC-AOMKIAJQSA-N 372.461 5.053 0 1 FKAF CC(=C(C)n1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1ccccc1 2356707414 WOSOOPSCLXIZAU-UHFFFAOYSA-N 350.893 5.691 0 1 FKAF CC1=C2CC[C@H](C)[C@@H]2[C@H](O)[C@]2(C)CC[C@]3(C)CCC(C)(C)C[C@@H]3[C@H]2CC1 2356754578 AKSFJIXKSLGFLQ-QFDGZYDSSA-N 358.610 6.753 0 1 FKAF C[C@@]1(c2nnc(-c3ccc(Cl)cc3)o2)CC(c2ccc(Cl)cc2)=NO1 13660333 UVOYRFKEVUCXIN-SFHVURJKSA-N 374.227 5.083 0 3 FKAF CCCc1cc(-c2ccc(-c3cc(CCC)c(C=O)[nH]3)s2)[nH]c1C=O 1633551 YAOVSUPVJPZTCX-UHFFFAOYSA-N 354.475 5.268 0 1 FKAF CC[C@@H](C)C(=O)c1c(O)c(CC=C(C)C)c2c3c(cc(=O)oc13)[C@@H](CC)O2 1650659 UIUQJKPWTIMLDM-IUODEOHRSA-N 370.445 5.080 0 1 FKAF biogenic CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(O)c(Cl)c1 2011798 YOLHMHLRUZTXSE-UHFFFAOYSA-N 370.836 5.329 0 1 FKAF CC(C)=C1c2ccccc2C=C(C2=CCN(C)CC2)c2cc(Cl)ccc21 13740497 IAOUVQRCRUKJNM-UHFFFAOYSA-N 361.916 6.298 0 1 FKAF c1ccc(CCCCN[C@@H]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 26818460 KZXMZCLJNRSAAU-RSXGOPAZSA-N 355.525 5.746 0 1 FKAF CCCCSCC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1 29394627 CBOPMPFPBQTJAP-FCHUYYIVSA-N 358.547 6.299 0 1 FKAF COc1ccc2c(/C=C/c3ccc(OC4CCCC4)cc3)cc(=O)oc2c1 49785580 FRGFXZCTFQFSMZ-RMKNXTFCSA-N 362.425 5.293 0 1 FKAF c1ccc2c(c1)oc1ccc(Oc3cc(NCC4CCCCC4)ncn3)cc12 82067720 XOPJSCZHUUKWCO-UHFFFAOYSA-N 373.456 6.161 0 1 FKAF CCCCc1ccc(-c2nsc(-c3ccc(CCCC)cc3)n2)cc1 82158264 OOWRLNBAZSZUEJ-UHFFFAOYSA-N 350.531 6.557 0 1 FKAF Cc1cc(-c2ccc(O)cc2Cl)sc1-c1ccc(O)cc1Cl 95587488 SYKYEGTTWRENSH-UHFFFAOYSA-N 351.254 6.109 0 1 FKAF in-vitro CCOc1ccc2nc(SSc3ccc(Cl)cc3)sc2c1 144788121 SKVRAYIFVRTNFE-UHFFFAOYSA-N 353.921 6.148 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)n1 587020538 BCGZLRGDHOGWEV-UHFFFAOYSA-N 365.527 5.904 0 1 FKAF Cc1ccc(-c2cc(-c3nc4cccnc4[nH]3)c3cccc(Cl)c3n2)o1 587083604 ZWHKSWIYVVYXNV-UHFFFAOYSA-N 360.804 5.395 0 1 FKAF Clc1cc2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2cn1 587085346 UELVIPUAAQYVIP-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cnc3ccccc3c2[nH]1 587149287 KLBOJZHMMFJKJE-QFIPXVFZSA-N 368.415 5.452 0 1 FKAF CCc1c([C@H]2CCOC(C)(C)C2)nc2cccc3c2c1-c1ccccc1C3=O 587206321 HWTSUAGVVBUYBR-HNNXBMFYSA-N 371.480 5.681 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(C)(C)[C@@H](O)C3)c1 587366959 SHKOBHMGSAVYRF-FQEVSTJZSA-N 373.452 5.142 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccsc3)o1)CC2=O 587494819 LXYGOLRATRLWOG-LJQANCHMSA-N 354.427 5.373 0 1 FKAF Cc1ccc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500171 RISXQFIPRIHUAB-LJQANCHMSA-N 371.274 5.343 0 1 FKAF CCCC/C=C/CCCCCCCCc1cnc2nc(O)nc(O)c2c1 587562260 UJPYDDMHHXSWTO-AATRIKPKSA-N 357.498 5.456 0 1 FKAF C[C@H](CC1CCCCC1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602994 MBFSRLFSDRHVPB-ZNRXUEPQSA-N 366.457 5.329 0 1 FKAF Cc1nn(-c2c(C)[nH]c3c(C)cc(Cl)cc23)c(C)c1Br 587623636 KUSGXNWDWGOVDL-UHFFFAOYSA-N 352.663 5.003 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(Br)ccc3O)c(C)c2c1 587639376 TYTZNHDUMXVSBN-LLVKDONJSA-N 358.279 6.125 0 1 FKAF COc1cc(C2(c3nc4ccc(Oc5ccccc5)cc4[nH]3)CC2)ccc1C 587926556 IWJIWCXCRNWGFV-UHFFFAOYSA-N 370.452 5.752 0 1 FKAF CCOC(=O)c1ccc2nc([C@H](C)c3ccc4cc(OC)ccc4c3)[nH]c2c1 587934634 KWBFWMZBQADCLV-CQSZACIVSA-N 374.440 5.053 0 1 FKAF CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1 5978518 UGSIHQWHWXZYPP-OIISXLGYSA-N 355.444 5.735 0 1 FKAF Cc1ccnc(Nc2nc(-c3cc(-c4ccc(Cl)cc4)no3)cs2)c1 13141372 ODOSTDOMOINNQQ-UHFFFAOYSA-N 368.849 5.566 0 1 FKAF CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)SCc1ccccc1 13738032 KICAWPYJPLMZJY-UHFFFAOYSA-N 371.502 6.075 0 1 FKAF CCCCc1oc2ccccc2c1[C@H](O)c1ccc(-c2ccc(O)cc2)cc1 13806788 VZLNGUOESOANIN-RUZDIDTESA-N 372.464 6.230 0 1 FKAF CCOC(=O)c1ccc(OCCCCCc2ccc(Cl)s2)cc1 27888362 AJGNYXAZODQRCX-UHFFFAOYSA-N 352.883 5.370 0 1 FKAF CNC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C(C)C)cc1 28221301 PQTWGGVNWSFUCK-UHFFFAOYSA-N 373.522 5.173 0 1 FKAF Fc1cccc(Oc2cc(NCc3cccc(C(F)(F)F)c3)ncn2)c1 34030722 IZDSBANCSHPOPH-UHFFFAOYSA-N 363.314 5.039 0 1 FKAF Cc1cc([C@H]2[C@@H](c3ccc(Cl)c(Cl)c3)C[C@@H]3CC[C@H]2S3)on1 66100963 JHGFPQGHZNDWJN-JQHQGBHXSA-N 354.302 5.825 0 1 FKAF CCCCCn1c(C(C)C)nc2c(NCc3ccccc3C)ncnc21 82180451 GUNPGPVGYFWWPF-UHFFFAOYSA-N 351.498 5.060 0 1 FKAF C/C=C(C)/C=C(C)/C=C(C)/C=C/C=C/C=C/c1oc(=O)cc(OC)c1C 85548433 OYWYCUVDFLSMOF-JLQIEDEZSA-N 352.474 5.941 0 1 FKAF COC(=O)C1=CN(Cc2cccc3ccccc23)C=C[C@H]1c1ccccc1 95585143 LHABJXOXYJUZLS-QFIPXVFZSA-N 355.437 5.010 0 1 FKAF Cc1cc([C@H]2[C@@H](c3ccc(Br)cc3)C[C@H]3CC[C@H]2S3)on1 101388915 YEUFVHULUPJOQC-MUIFIZLQSA-N 364.308 5.281 0 1 FKAF CCc1ccc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)s1 206865394 APAATJPEFJOWBO-NRFANRHFSA-N 362.498 5.120 0 1 FKAF C[C@H]1CCc2sc(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)cc2C1 587034698 YHBULWBMIUOUBG-VIFPVBQESA-N 352.381 5.315 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc3nc(C)ccc3c2[nH]1 587062522 URCXYTSLRCGQEC-QGZVFWFLSA-N 351.837 5.603 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 587112411 GZCWUQAUGNWWOB-SNVBAGLBSA-N 372.312 5.947 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587160607 DRBQNXRWAQXQRC-QWRGUYRKSA-N 371.284 5.022 0 1 FKAF Fc1ccc(/C=C(/c2nc3cc4c(cc3[nH]2)OCO4)c2cccs2)cc1 587163907 NNZWEECXMZXCJD-RIYZIHGNSA-N 364.401 5.081 0 1 FKAF CC(C)(O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587206002 GOFNBUDORSZRQC-UHFFFAOYSA-N 365.432 5.341 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)c1 587236340 UYONSYNGQSDQRV-UHFFFAOYSA-N 368.267 6.245 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(Cl)ccnc3[nH]2)c1 587238711 MKCUTHXUKLHPCN-UHFFFAOYSA-N 363.852 5.221 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cc(Cl)cc1Cl)O2 587375299 KWBBMYDNDUEVCK-AWEZNQCLSA-N 356.636 5.244 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(Cl)c1Cl)CC2=O 587459963 JJPRKOIZSYLXAH-HNNXBMFYSA-N 367.228 5.064 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(Cl)cccc3s1)CC2=O 587494022 HMTCIRHDLVIYRL-QGZVFWFLSA-N 372.873 5.919 0 1 FKAF Cc1ccc(-c2cnc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1C 587515227 METUTIBSQAUBFP-OAQYLSRUSA-N 373.452 5.544 0 1 FKAF O=C(c1c(-c2ccc(F)cc2)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F 587630205 VOELYQXKXIWNDX-UHFFFAOYSA-N 359.681 5.512 0 1 FKAF Cc1ccccc1[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587816442 YFPPFDVSEOWNKD-ZUOKHONESA-N 374.297 5.084 0 1 FKAF CC(C)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587818506 IBDCDOYEIYXDSQ-CWTRNNRKSA-N 362.286 5.335 0 1 FKAF CCC[C@@]1(c2ccsc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587853071 KONPZYJBROSGIL-DIFFPNOSSA-N 368.315 5.228 0 1 FKAF Fc1ccc2c(c1)-c1cc(n(-c3cc(C(F)(F)F)ccc3Cl)n1)O2 587874163 RAZWEKDMBVKPQB-UHFFFAOYSA-N 354.690 5.456 0 1 FKAF Clc1cccc(-c2csc(Cc3ccccc3Br)n2)c1 587920411 KAKRCANHWKQCCD-UHFFFAOYSA-N 364.695 5.817 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cccc3cc[nH]c23)n1 653666706 YSJZDMLGAJBMLN-HXUWFJFHSA-N 354.457 5.423 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cccc3[nH]ccc23)n1 653680477 YFSUOKDLAIBPLU-OAQYLSRUSA-N 354.457 5.423 0 1 FKAF COc1ccc([C@@H](C)[C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1OC 962671744 UXFPQYCTLXREPJ-CRICUBBOSA-N 373.496 5.361 0 1 FKAF CC(C)(C)C(=O)C[C@]1(C(C)(C)C)NCCc2c(Cl)cc(Cl)cc21 963122461 OKEMABDBZRWZHG-IBGZPJMESA-N 356.337 5.386 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1csc2cnc(Cl)nc12 963241704 NLLYKIRZGLVUBP-KPZWWZAWSA-N 357.910 5.091 0 1 FKAF CN(C/C=C/c1ccc(Br)cc1)Cc1cccc2cc[nH]c12 1772572153 OAAJKTAJIDPQOT-ONEGZZNKSA-N 355.279 5.076 0 1 FKAF COc1cc(C)c(O)c2c1C=C[C@@](C)(CCC=C(C)CCC=C(C)C)O2 2356614905 MYIDCWYCVAPNOL-HSZRJFAPSA-N 356.506 6.346 0 1 FKAF CCCC=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356616795 GWOQCGQDMPZUMP-NYXXZXROSA-N 368.605 6.839 0 1 FKAF CC(C)=CC[C@]1(C)C=Cc2c(c(-c3ccc(C)cc3)c(Cl)[nH]c2=O)O1 2382240560 NGTCXVOTXAKPER-OAQYLSRUSA-N 355.865 5.524 0 1 FKAF CC(=O)c1ccc(O[C@]2(C)CCN(Cc3ccc4ccccc4c3)C2)cc1 61902703 AJHUMSXXWNOSEE-XMMPIXPASA-N 359.469 5.086 0 3 FKAF CN(C)CCOc1ccc(-c2c(-c3ccccc3)sc3ccccc23)cc1 61947951 HQDXGLXETMQWFK-UHFFFAOYSA-N 373.521 6.176 0 3 FKAF O=C(O)CS[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1661710 AUWASCFGQNGISC-INIZCTEOSA-N 369.269 5.125 0 1 FKAF Fc1ccccc1-c1nc(NCc2ccc(Cl)cc2)c2ccccc2n1 2452467 ZODUBKJRCFSAMO-UHFFFAOYSA-N 363.823 5.701 0 1 FKAF CCCCCOc1cc2ccccc2cc1[C@H](O)CCCCCCC(=O)O 28528657 AUVXPLBVCZOPLN-OAQYLSRUSA-N 372.505 5.867 0 1 FKAF O=C(O)[C@H](Cc1ccccc1)Oc1ccc(SCc2ccccc2)cc1 45288204 GUOBGIGORNBZEV-NRFANRHFSA-N 364.466 5.054 0 1 FKAF CC[P@](=O)(OC)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 59098805 GPAGWSVBQUHVII-VWLOTQADSA-N 351.342 5.218 0 1 FKAF Brc1nc(-c2nc3ccc4c(c3[nH]2)CCCC4)c(C2CC2)s1 587013306 SXINDFQOVWHKRM-UHFFFAOYSA-N 374.307 5.205 0 1 FKAF Clc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587048242 GNAQAYWQTBANMU-JGVFFNPUSA-N 372.082 6.448 0 1 FKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cncc(Cl)c4[nH]3)c2)cc1 587067498 CZUQVGZKBGWOLN-UHFFFAOYSA-N 370.239 5.091 0 1 FKAF Fc1cc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2cc1Cl 587085227 NOGVEVVHYOBQNV-UHFFFAOYSA-N 359.191 5.133 0 1 FKAF Cc1cc(Cl)cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 587114914 ZIWQNBODBJUUAR-NSHDSACASA-N 352.787 5.890 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4cc(Cl)c(Cl)cc4[nH]3)C2)c1 587131645 QSDJIBUWDMHBCF-UHFFFAOYSA-N 353.199 5.751 0 1 FKAF Fc1ccc(/C=C\c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(F)c1 587149099 LSEMPMFEONGVLD-RQOWECAXSA-N 374.696 5.564 0 1 FKAF C[C@@]1(c2ccccc2)C=Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587206243 BQMIZZDVEPKIKI-HHHXNRCGSA-N 373.455 5.973 0 1 FKAF CC(=O)c1ccc2c(c1)Cc1cc(-c3cc4c5c(cccc5n3)CC4)ccc1-2 587212448 ACAJZFZNGSCVGV-UHFFFAOYSA-N 361.444 5.774 0 1 FKAF CC(C)(C)[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348635 AGYFLYZMWXTYQY-NNMXDRDESA-N 354.421 5.085 0 1 FKAF CC(C)(C)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357529 UWQXIWGSUQKPEG-SIKLNZKXSA-N 356.437 5.475 0 1 FKAF COc1cccc(-c2cc(-c3ccnc(F)c3)nc3c2oc2ccccc23)c1 587361127 WPJGQTXNEMAZRP-UHFFFAOYSA-N 370.383 5.858 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccc(Cl)c1Cl)O2 587375380 LTICYBGMIKGVJO-ZDUSSCGKSA-N 356.636 5.244 0 1 FKAF COc1ccc([C@@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527508 VYNHRKHCEOTLDU-QHCPKHFHSA-N 350.458 5.091 0 1 FKAF Cc1sc(N)c([C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587533261 VNRGKQZTPCNVSN-JOCHJYFZSA-N 367.514 5.097 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cccc(C(=O)OC)c3)c2c1 587643301 SWOPERMIBNDEHA-ZDUSSCGKSA-N 364.445 5.029 0 1 FKAF CCCCC/C=C\[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814431 HTFMVUCJKARQIS-OVSFTJBFSA-N 354.307 5.474 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1CCCC[C@@H]1C2(C)C 587826430 HDNLASDTNDLWRL-BJINURBMSA-N 366.318 5.164 0 1 FKAF CC(C)(C)c1cc([C@H](c2ccccn2)N2CCOCC2)cc(C(C)(C)C)c1 1857556818 BUIDABRHQGPDPS-JOCHJYFZSA-N 366.549 5.098 0 1 FKAF CCCOc1ccc(CCc2cc(OCCC)cc(OCCC)c2)cc1 1857629294 YZIXDILUTAHCFH-UHFFFAOYSA-N 356.506 5.838 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3O)nc3c2oc2cc(O)ccc23)cc1 1857640949 CGFJISBRAYHVLV-UHFFFAOYSA-N 369.376 5.432 0 1 FKAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(-c4ccsc4)nc3[C@@H](C)[C@@H]21 2356519737 OEDBQTSAAZMVMA-IODQCNAFSA-N 373.543 5.125 0 1 FKAF CC(=CCCc1ccoc1)CCC=C(C)CC[C@@H](O)[C@@]1(C)CCC(=O)O1 2356725292 CQHXGGUREVDGGK-IFMALSPDSA-N 360.494 5.122 0 1 FKAF CCCCNC(=O)c1c(C(C)(C)C)noc1-c1cccc2ccccc12 2483361 RSCSLHYJTBKAOJ-UHFFFAOYSA-N 350.462 5.322 0 1 FKAF CCCCSCC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)cc1 29394633 CBOPMPFPBQTJAP-FGZHOGPDSA-N 358.547 6.299 0 1 FKAF Cc1cc(NC2CCCCC2)nc(NCC23CC4CC(CC(C4)C2)C3)n1 45389955 SJRVGFYFSLJERE-UHFFFAOYSA-N 354.542 5.158 0 1 FKAF O=C(N[C@@H](c1ccccc1)[C@@H]1CCCC=C1c1ccccc1)C(F)(F)F 66129641 MIEXQAFUMNDJOH-MOPGFXCFSA-N 359.391 5.290 0 1 FKAF C/C(=C\CN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1 73157982 MIAFBZYKYDZOOH-FYJGNVAPSA-N 355.525 6.198 0 1 FKAF Cc1nc(-c2ccccc2)sc1[C@H]1SCC(=O)N1c1ccc(F)cc1 95563914 REGPAVWUJLTRGD-LJQANCHMSA-N 370.474 5.036 0 1 FKAF c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1 95575727 OVFCACKWNISZKB-UHFFFAOYSA-N 370.460 5.429 0 1 FKAF CC(C)(C)c1cc(NC(=O)c2cc(Cl)ccc2O)cc(C(C)(C)C)c1 95596080 IXDKUYBWONLOHG-UHFFFAOYSA-N 359.897 5.893 0 1 FKAF COc1cccc(-c2ccnc(NCc3ccc(Cl)c(Cl)c3)n2)c1 96271440 IOJVCHVCXVTROS-UHFFFAOYSA-N 360.244 5.071 0 1 FKAF CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1/C=C/c1ccccc1 103529991 XGTJDEYXEAJTOR-ZGHGOZJASA-N 359.429 5.203 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccsc2)C[C@@H](c2ccccc2)C1 104703448 JDFRVCXAQQIUDR-HXOBKFHXSA-N 372.493 6.377 0 1 FKAF CC(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1 166936013 VYMBMEPSKRYKBW-JLHYYAGUSA-N 369.424 5.484 0 1 FKAF COC(=O)/C=C(C)/C=C/C=C(\C)CCc1c(C)cc(OC)c(Cl)c1C 169322773 ILNIQGOZTIVCGI-YOLSYARASA-N 362.897 5.520 0 1 FKAF CCCCC1CCC(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 586892052 SYFWSTXHMVFKNB-UHFFFAOYSA-N 370.722 5.838 0 1 FKAF COc1cc(OC)c2[nH]c(-c3cc(C(C)C)cc(C(C)C)c3O)nc2c1 586896624 OWIVJUHKMYTKRD-UHFFFAOYSA-N 354.450 5.200 0 1 FKAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1Cl 586984679 AMLNQMYVGLUOAW-UHFFFAOYSA-N 371.823 5.781 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3Cc1ccccc1 586989759 DXQRQZAEAWTYLV-HNNXBMFYSA-N 363.416 5.034 0 1 FKAF Fc1cc(Cl)cc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587012213 HLBGUIKPCOBPPB-UHFFFAOYSA-N 372.650 5.119 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4c(Cl)nccc4[nH]3)cc2)n1 587020713 XFKVUSIRVFTYCF-UHFFFAOYSA-N 372.906 5.336 0 1 FKAF COc1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cn1 587047770 MPOAYQAGFGPFAX-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF Fc1cnc(Cl)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c12 587077364 VYKRZASCXFYIKZ-UHFFFAOYSA-N 359.191 5.133 0 1 FKAF CSc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587088238 UTMDLVVCGXXMSN-UHFFFAOYSA-N 352.850 5.062 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C)[C@H](C(C)C)C4)-c1ccccc1C2=O 587100356 HNPDPLFDQBTJGL-BEFAXECRSA-N 355.481 5.762 0 1 FKAF CC(C)(C)c1cccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 587120876 YRCTXAVLQNOPPT-UHFFFAOYSA-N 358.367 5.423 0 1 FKAF Fc1ccc(/C=C(\c2nc3c(F)cnc(Cl)c3[nH]2)c2cccs2)cc1 587164677 UXIPWHIIIIAADV-WQLSENKSSA-N 373.815 5.540 0 1 FKAF COc1cccc(-c2cc(Cc3ccccn3)nc3c2oc2ccccc23)c1 587364336 UCRFFUZIJMNVAM-UHFFFAOYSA-N 366.420 5.642 0 1 FKAF Cc1cc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1Cl 587499558 VLLASLUOOFXAEV-GOSISDBHSA-N 356.849 5.248 0 1 FKAF CC[C@H](C)[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603883 PZUCOEWLDBGORL-RWNBKVOJSA-N 366.457 5.329 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(F)(F)F)c2c1 587641172 KVCZPSAJEDDUPN-NSHDSACASA-N 351.799 7.021 0 1 FKAF Cc1ccc2[nH]c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587805363 UAAVOMBIZMMNSO-WLRWDXFRSA-N 373.269 5.002 0 1 FKAF CC[C@@H](C)c1ccc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862427 AEAXPNFMOVBRDZ-CQSZACIVSA-N 374.406 6.080 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C)nc2c(C)cccc12 587871607 KYTPPZKROFUIOT-UHFFFAOYSA-N 361.420 5.242 0 1 FKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1 587928760 CAVMHPQYGHNCPJ-NTKDMRAZSA-N 370.452 5.809 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 587933384 NCUMUOGDNSDNBY-KRWDZBQOSA-N 368.358 5.169 0 1 FKAF CCC[C@@H](C)[C@@]1(C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961781331 JAMXVTQGUOYEHO-MWTRTKDXSA-N 372.553 5.489 0 1 FKAF CCOC(=O)CC[C@@]1(C(C)(C)C)NCCc2cccc(-c3ccccc3)c21 962671857 UYMTVNUDFZYJBJ-XMMPIXPASA-N 365.517 5.084 0 1 FKAF CC(C)(C)C(=O)C[C@@]1(C(C)(C)C)NCCc2c(Cl)cc(Cl)cc21 963122806 OKEMABDBZRWZHG-LJQANCHMSA-N 356.337 5.386 0 1 FKAF Cc1nc(-c2ccccc2)oc1-c1csc(Cc2ccc(Cl)cc2)n1 1772626896 SFPDJFGQRGBNAH-UHFFFAOYSA-N 366.873 6.018 0 1 FKAF CC1=C[C@H](O)[C@@]2(C)[C@@H](CC1)[C@@]1(C)CC=C3[C@@H](C(C)C)CC[C@@]3(C)[C@H]1C[C@H]2O 2356323281 ARODMLJYCSKEHM-ZGVAJZRXSA-N 372.593 5.499 0 1 FKAF Clc1ccc([C@H]2C[C@H](c3cccnc3)Nc3nc4ccccc4n32)cc1 2500028 HKFRJFBVFMBSLZ-UYAOXDASSA-N 360.848 5.231 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)CC 13761123 FSBHLSINBYYIIF-HRJYBQMVSA-N 359.598 7.047 0 1 FKAF Cc1ccc(C)c(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)c1 13781359 YRWMDSYVZHWNKM-UHFFFAOYSA-N 353.425 5.166 0 1 FKAF CCCCOc1ccccc1-c1cc(O)c2c(C)c(C(=O)OCC)oc2c1 28379472 WRKSFZDLBIVOTR-UHFFFAOYSA-N 368.429 5.469 0 1 FKAF O=C(O)c1ccc(NCCCCCCCCCCCn2ccnc2)cc1 29206306 LZYDXCRIXXHEOL-UHFFFAOYSA-N 357.498 5.204 0 1 FKAF O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCCc1ccccc1-3 35906765 PDHOKGGNEKRZHO-UHFFFAOYSA-N 359.469 6.000 0 1 FKAF CCn1cc/c(=N\c2cccc(CCc3ccc(Cl)cc3)c2)c(Cl)c1 43079176 RDNSVUHQPAESES-DARPEHSRSA-N 371.311 5.832 0 1 FKAF CC1=CC(C)(C)N(Cc2ccccc2)c2ccc(OC(=O)C(C)(C)C)cc21 45261432 OBYWNWOZSUJSFW-UHFFFAOYSA-N 363.501 5.840 0 1 FKAF Cc1cccnc1-c1ccc2c(Nc3ccc(C(F)(F)F)cc3)noc2c1 45299043 SXJAHHQMDLEPCN-UHFFFAOYSA-N 369.346 5.961 0 1 FKAF CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](c1cccc(Cl)c1)N2 49784838 PXZJGWHGYKHETP-WMQCIHAUSA-N 355.909 6.272 0 1 FKAF O=C(O)c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2c1 71317959 UKBHCOJXXIXZMO-UHFFFAOYSA-N 354.405 5.784 0 1 FKAF CC[C@H](C)Nc1ncc(-c2nc3ccccc3s2)c(-c2ccco2)n1 82166114 VSFVUZTVKAIGIC-LBPRGKRZSA-N 350.447 5.224 0 1 FKAF Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2Cl)s1 95583873 BPVMWHNSWDDASS-GOSISDBHSA-N 354.862 5.481 0 1 FKAF Cc1ccc2[nH]c(-n3nc(-c4ccccc4)c(-c4ccccc4)c3O)nc2c1 103260091 VYAVBLYDBCIRJL-UHFFFAOYSA-N 366.424 5.097 0 1 FKAF CCCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1cccs1 104004988 BDZAUQSYNKUIKM-NRFANRHFSA-N 366.486 5.705 0 1 FKAF CC(C)[C@@H]1CC=C2[C@H](O)CC[C@H](C)[C@@]2(C)[C@@H]1OC(=O)/C=C/c1ccccc1 238754342 KSKDEVFGRYPGMM-XKIXIDOCSA-N 368.517 5.011 0 1 FKAF O=C1[C@H]2[C@H](C=CC[C@H]2c2ccccc2)[C@@H](c2ccoc2)N1Cc1ccccc1 254012016 KSYOIXDDZBOZLY-CJRSTVEYSA-N 369.464 5.339 0 1 FKAF N[C@H](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccccc1Cl 587057660 QODIUGMFRBILBO-GFCCVEGCSA-N 374.193 5.131 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(CCc3ccccc3Cl)nc2c1 587058636 HOBUHGWQDFOVIA-UHFFFAOYSA-N 359.178 5.674 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C(C)C)CC[C@@H]4C)-c1ccccc1C2=O 587100635 MZGOBYKQAKUZHR-GOEBONIOSA-N 355.481 6.392 0 1 FKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Cl 587103086 AYBFQVUWOJLYRB-UHFFFAOYSA-N 371.823 5.775 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]3c1cccc(F)c1 587104327 SCTQIERONHASOH-SFHVURJKSA-N 351.380 5.273 0 1 FKAF COc1ccccc1[C@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587107421 SJYHUDWAZCUPFM-GOSISDBHSA-N 363.416 5.143 0 1 FKAF Cc1ccc(/C=C\c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1F 587146340 IXLJDFFQZRNUFQ-PLNGDYQASA-N 370.733 5.733 0 1 FKAF Cc1cc(Cl)cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587148389 CLZXEUJLTWNIEH-FQEVSTJZSA-N 365.839 5.865 0 1 FKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1 587150905 URYBTCVFMAPDCQ-GOSISDBHSA-N 369.802 5.696 0 1 FKAF Cc1cc(Cl)cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c12 587197171 AACOOIHUOGWRSB-OAHLLOKOSA-N 351.878 5.089 0 1 FKAF O=C(Cc1c(F)c(F)c(F)c(F)c1F)c1coc2ccc(Cl)cc12 587278442 NHGMUGQZWHDTMD-UHFFFAOYSA-N 360.665 5.207 0 1 FKAF O=C(c1ccccc1-c1nc2ccccc2s1)c1coc2ccccc12 587281102 VKNCJZQPCBIGSE-UHFFFAOYSA-N 355.418 5.941 0 1 FKAF COc1cccc(-c2cc([C@@H]3C[C@H]4C=C[C@H]3C4)nc3c2oc2ccccc23)c1 587364454 AGGZBSMALDVHNG-RIFZZMRRSA-N 367.448 6.336 0 1 FKAF COc1cccc(-c2c(C[C@@H]3CCOC3)cnc3c2oc2ccccc23)c1 587366170 LZVWOEAVHRZQQM-HNNXBMFYSA-N 359.425 5.236 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3cccs3)cs1)CC2=O 587495748 SLXMWKIPYDPGAK-KRWDZBQOSA-N 370.495 5.841 0 1 FKAF Nc1ccc2c(c1)-c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587510581 LRMXFRTZEULAFD-RUZDIDTESA-N 367.448 5.037 0 1 FKAF Cc1cc(C)n(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)n1 587515940 PLMCQFFCJPOLQH-QHCPKHFHSA-N 372.468 5.074 0 1 FKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 587524905 NNMVDXAFQOCKIM-QHCPKHFHSA-N 358.437 5.434 0 1 FKAF CCc1c(-c2cc(Br)ccc2F)[nH]c2ccc(F)c(Cl)c12 587629283 IJXFVZGLPSEVCA-UHFFFAOYSA-N 370.624 6.091 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC2CCCC2)N1 587812863 LQWIUZRGPDGMRK-KZULUSFZSA-N 354.307 5.308 0 1 FKAF Cc1ccc([C@@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587815378 MAXWFBVLLGMLDG-XCLFUZPHSA-N 374.297 5.084 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC2(C)C)N1 587818166 CIHYCNCRENWJLP-VOJFVSQTSA-N 354.307 5.164 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC3CCC2CC3)N1 587819359 MBFOXMZBQVGAQV-KUUZISLESA-N 366.318 5.164 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(C)C3(C)C)N1 587819645 WFUHHOGLPLTXBI-ZPBHSWEXSA-N 366.318 5.164 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC[C@@H]2C[C@H]3CC[C@H]2C3)N1 587819792 NNUJFVAFUMCWTA-LRHATULBSA-N 366.318 5.380 0 1 FKAF FC(F)(F)c1ccc(/C=C\c2cc3ccc(Cl)cc3nc2Cl)cc1 653796374 BTABCHMIZFIAJN-RJRFIUFISA-N 368.185 6.731 0 1 FKAF CCOc1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1OCC 962664020 FNUKNXOPIJVKHT-RUZDIDTESA-N 373.496 5.386 0 1 FKAF C[C@H](c1cc(F)cc(F)c1)[C@H]1c2ccsc2CCN1Cc1ccco1 962717960 WASVXHZOWWXRMZ-XCLFUZPHSA-N 359.441 5.522 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1ccc(C(F)(F)F)c(Cl)c1 963100793 JMDQZOWCKAIHHJ-RDTXWAMCSA-N 369.789 5.608 0 1 FKAF C[C@H](Oc1ccccc1Cl)[C@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963118934 XYFSCMDOVXDJRI-AVBTWRTFSA-N 359.872 5.182 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2C12CCN(c1cccc(Cl)c1)CC2 963233691 DCMNAMBJLAEQHZ-SFHVURJKSA-N 368.952 5.492 0 1 FKAF CC=C(C)C(=O)O[C@@H]1CC=C(C)CCCC(C)(C)[C@H](OC(C)=O)C=C1C 2356679046 DJZAMDRFIUQAJH-WOJBJXKFSA-N 362.510 5.289 0 1 FKAF CC(=CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1)CCC=C(C)C(=O)O 2356738681 QSRURDPJEKTSFH-HSZRJFAPSA-N 372.505 5.630 0 1 FKAF O=C(NCC=C(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 13451863 BVFBYUIDPPDGCS-UHFFFAOYSA-N 362.860 5.593 0 1 FKAF in-vivo COc1c(-c2cnco2)ccc(Nc2ncc(-c3ccccc3)o2)c1Cl 13490394 GCAKPKMZNWLDND-UHFFFAOYSA-N 367.792 5.402 0 1 FKAF C[C@@H]1CCCN(C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)C1 45353533 AKRBCPCYMFKJLQ-GFCCVEGCSA-N 364.276 5.004 0 1 FKAF CCCCc1cnc([C@@H](C)Cc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1 49070606 BPBYYDCGWLCZRK-INIZCTEOSA-N 362.473 5.464 0 1 FKAF CCCCCn1c(CC(C)(C)C)nc2c(NCc3ccccc3)ncnc21 82178722 PINPFUWFGMCZMO-UHFFFAOYSA-N 365.525 5.217 0 1 FKAF CCCc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1C[C@@H](C)CC 82188761 FYLIQAVKTYXZGH-DLBZAZTESA-N 365.525 5.041 0 1 FKAF Cc1ccc(SC[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1 84690149 OYQSOOWOHUNCSN-FQEVSTJZSA-N 350.483 5.194 0 1 FKAF CCCc1ccc2c(c1)sc(=O)n2CCCCCN1CCCCCC1 96916521 SIYRBRAGYUVHIV-UHFFFAOYSA-N 360.567 5.062 0 1 FKAF CC(C)(Oc1ccc(NC(=O)c2ccccc2)cc1)[C@H]1CC[C@@H](C)CC1 100658235 GNSJLHJUKJLCHK-UAPYVXQJSA-N 351.490 5.923 0 1 FKAF CCCCCCc1ccc([C@@H]2COC(c3c(F)cccc3F)=N2)c(F)c1 103288149 JTSTYDJJARRPCL-IBGZPJMESA-N 361.407 5.745 0 1 FKAF Cc1ccc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)o1 104090103 HHZGOLWMSVOQLZ-OAQYLSRUSA-N 350.462 6.076 0 1 FKAF CCSc1c(Nc2c(C)cc(C)cc2C)nc(C)nc1N(CC)CC 169309993 AVRJQTACPAMPAK-UHFFFAOYSA-N 358.555 5.412 0 1 FKAF O=C(O)c1ccccc1/C=C\c1nc2ccc(Sc3ccccc3)cc2[nH]1 586879746 NDXZMSPYMCTIQR-RAXLEYEMSA-N 372.449 5.583 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccnc(C(F)F)c3)nc3ccc(O)c1c23 586987515 YALGSJDGURAGGF-UHFFFAOYSA-N 374.346 5.151 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C=C(c1ccccc1)C3 586989565 BMMIPXDEDJBVHD-UHFFFAOYSA-N 361.400 5.249 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4ccc(F)c(C)c4[nH]3)c2o1 587003843 NEZKYJZXVTUFQW-UHFFFAOYSA-N 359.198 5.495 0 1 FKAF FC(F)(F)Oc1cccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587024164 XGRLSHZDSPERNU-UHFFFAOYSA-N 361.348 5.252 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3sc4cc(Br)ccc4c3N)nc12 587032232 SDGWOZLETOTYGD-UHFFFAOYSA-N 372.291 5.406 0 1 FKAF COc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1C 587062156 CTVZEEQHXUCKHG-UHFFFAOYSA-N 362.860 5.791 0 1 FKAF Cc1c(F)ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 587067470 BWFWPAFSHGKSHG-UHFFFAOYSA-N 366.823 5.490 0 1 FKAF Cc1c(Br)cc2nc([C@@H](C)Oc3ccc(F)cc3)[nH]c2c1C 587168365 HBGUXYDREXYIFZ-LLVKDONJSA-N 363.230 5.221 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cccc(C)c1)CC2=O 587468774 AZAZQVPZQGHRCH-JOCHJYFZSA-N 361.441 5.150 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cc(OC)ccc3c1)CC2=O 587481229 QFDBXZUZXJVKMM-JOCHJYFZSA-N 362.425 5.213 0 1 FKAF C[C@]1(CCc2c(F)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502202 CURRQFWHXLSDPJ-QFIPXVFZSA-N 356.412 5.200 0 1 FKAF O=C1C[C@@H](c2ccc(OC(F)F)c(F)c2)Oc2c1ccc1c2CCCC1 587504375 IWJOAZMKBXYGBV-SFHVURJKSA-N 362.347 5.012 0 1 FKAF O=C1C[C@]2(CCc3ccc(C(F)(F)F)cc32)Oc2c1ccc1c2CCCC1 587504574 FKWXYOVCHFGYIS-NRFANRHFSA-N 372.386 5.391 0 1 FKAF Cc1ccc(-c2cnc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c(C)c1 587516019 TUALIWROLMCCPR-NRFANRHFSA-N 373.452 5.544 0 1 FKAF CCCCC[C@@]1(c2cn(C)nc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587516983 YQGRHKRGPPMMEL-QHCPKHFHSA-N 366.505 5.048 0 1 FKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1SC 587531620 IAYRMCASVPOMTA-IBGZPJMESA-N 354.471 5.002 0 1 FKAF CSc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587785176 XVWBWJDKKMSARB-ZROIWOOFSA-N 372.493 6.034 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(Cl)c1 587853742 AYVDNEDUKMKXGY-UHFFFAOYSA-N 367.663 5.898 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2C)c(OC)c1 587930276 SEYPOQGBLUPCTG-UHFFFAOYSA-N 362.404 5.362 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cc3ccccc3o2)n1 653668869 HGCPQCUEHJJDBN-LJQANCHMSA-N 355.441 5.688 0 1 FKAF COc1ccc2c(c1OC)[C@H]([C@H](CC(C)C)c1ccccc1)N(C)[C@H](C)C2 962616751 AODUIBNRHSWRTN-LLBVYWAGSA-N 367.533 5.451 0 1 FKAF C[C@]12CC[C@@H]3c4cc(-c5ccc(O)cc5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O 1857759705 ZJKJKUUGFFPECF-QNJCZANYSA-N 362.469 5.190 0 1 FKAF CC(=O)[C@H]1CC[C@@]2(C)[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 2356405349 QNGSNHFSHGHNJR-QEDHPVLZSA-N 372.593 6.220 0 1 FKAF C[C@H](CO)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CCC(=O)C4(C)C)[C@@]3(C)CC[C@@]12C 2356541259 HYDPQJPDIJUOEO-KICNKVFKSA-N 372.593 5.789 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CCC2=C3CC[C@@H]4C=CCC[C@]4(C)[C@H]3C=C[C@@]21C 2356621845 SDCFNOCWBVAGES-DAXRXAIRSA-N 354.534 6.153 0 1 FKAF CO[C@@H]1CC[C@@H]2[C@H](CC[C@@H]3CC4=CC[C@@H]5C[C@H](O)CC[C@@H]5[C@@H]4CC[C@H]32)C1 2356623258 SZAJWRKZJNIUSA-XAKHLCMOSA-N 358.566 5.351 0 1 FKAF C/C(=C\c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 6070388 AJYSMFOKGBZPCF-DTQAZKPQSA-N 362.513 6.603 0 1 FKAF CC(=O)Oc1ccc2c(c1)C[C@]1(C)[C@H](C)CC[C@H]3C(C)(C)CCC[C@]31O2 13374386 MQRRSNNZKRHXGT-BBFBFANZSA-N 356.506 5.548 0 1 FKAF biogenic COc1cc(OC)c2c(c1CC=C(C)C)O[C@@H](c1ccccc1)C[C@H]2OC 14684694 QYAYIWOQUZDATC-UYAOXDASSA-N 368.473 5.424 0 1 FKAF biogenic CC(C)=CC(=O)OCc1ccc(-c2ccc(-c3cccs3)s2)s1 14721946 HSNLEHYWSHFUHW-UHFFFAOYSA-N 360.525 6.215 0 1 FKAF biogenic CCCCC/N=c1\ccn(-c2cccc3ccccc23)c2cc(Cl)ccc12 29552378 BNTYFWBWPRBKJF-XTCLZLMSSA-N 374.915 6.528 0 1 FKAF CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O 33820162 KGHVQLDYCDULEN-UHFFFAOYSA-N 368.646 8.529 0 1 FKAF biogenic,in-vitro Cc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cnccc2[nH]1)C1CC1 34635097 ACXWUSNNWQQMLC-HSZRJFAPSA-N 366.480 5.062 0 1 FKAF CC1=C(/C(O)=N/c2ccccn2)[C@H](c2ccsc2)C2=C(O)CCCC2=N1 34858567 CDMIWABVYXMPJM-SFHVURJKSA-N 365.458 5.240 0 1 FKAF Cc1cccc(-c2cccc(NCc3cncn3Cc3ccccc3)c2)c1C 40972725 VEEHZAKEKPZLQY-UHFFFAOYSA-N 367.496 5.827 0 1 FKAF O=C(CCNc1cccc(O)c1)N1c2ccccc2C=Cc2ccccc21 45260782 SMOCEBFZGZPGIU-UHFFFAOYSA-N 356.425 5.043 0 1 FKAF CCCO[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](OC(C)(C)C)n1ccnc1 45390750 QQILTWWBPOTEJI-IRXDYDNUSA-N 371.308 5.672 0 1 FKAF FC(F)(F)Oc1ccc(Nc2cc(-c3cccc4[nH]ccc34)ncn2)cc1 64539828 WHXMNERCRMKGIM-UHFFFAOYSA-N 370.334 5.267 0 1 FKAF Cc1ccc(C)c(Nc2cc(Nc3ccccc3)nc(N3CCCCC3)n2)c1 73196036 ITHVQBNIKOJAOL-UHFFFAOYSA-N 373.504 5.571 0 1 FKAF Clc1ccccc1-c1nc2cnc3cc(Br)ccc3c2[nH]1 73221833 AVPNPKWVUVTCJG-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF Cc1cnc(-c2cnc(NCc3ccccc3F)nc2-c2ccccc2C)o1 82177612 BDFQZIHTGPDTBE-UHFFFAOYSA-N 374.419 5.167 0 1 FKAF CCCNc1cc(Cl)cc2c1[nH]c1cnc(NCc3ccccc3)cc12 95557346 KARXGKUFMKQCFB-UHFFFAOYSA-N 364.880 5.804 0 1 FKAF C[C@H]1CC[C@H](NCc2ccc3c(c2)Cc2c(-c4ccccc4)n[nH]c2-3)CC1 101115327 LQDUMEQZHKIAQN-MOBUCQHHSA-N 357.501 5.316 0 1 FKAF O=C(c1sc2ccccc2c1Cl)N1CCCc2cc(Cl)ccc21 204928408 LMTQYHRDVCHZRC-UHFFFAOYSA-N 362.281 5.801 0 1 FKAF O=C1O/C(=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)c2ccccc21 586907770 WRRYWNJBJZVCEV-MOSHPQCFSA-N 370.433 5.383 0 1 FKAF CC(C)c1nc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cs1 586993899 LFUAJOUCJKFQDW-UHFFFAOYSA-N 372.449 5.399 0 1 FKAF Cc1cc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c(C)n1 587071762 QTNLWKQQARXZIB-UHFFFAOYSA-N 363.848 5.474 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(F)ccc1OCC3 587104569 RPJTYCNSBOVJPX-UHFFFAOYSA-N 367.379 5.187 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1Cc1ccccc1)CC2=O 587485588 WCIDKRSSRGZCNR-SBUREZEXSA-N 350.458 5.092 0 1 FKAF O=C1C[C@@]2(CCCc3cc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587498273 DTTIMRZLGPDKFW-JOCHJYFZSA-N 352.861 5.416 0 1 FKAF CC(C)[C@]1(c2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501888 GIOAEUPODMAGLU-QFIPXVFZSA-N 372.867 5.875 0 1 FKAF CSc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(C)cc(Cl)cc12 587624933 WLHILEGXXUBWLV-UHFFFAOYSA-N 355.812 6.537 0 1 FKAF Cc1cc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)c(C)o1 587627726 AFDXEELREUDKFY-UHFFFAOYSA-N 359.706 5.420 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cn(CC)nc3C)c(C(=O)C(F)F)c2c1 587643231 SOJKJUGJHYAWNT-NSHDSACASA-N 359.420 5.321 0 1 FKAF CC(C)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587821181 SVUVDKKTNMALLV-BUXKBTBVSA-N 362.286 5.335 0 1 FKAF Cc1oc2ccccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587826597 FJDLJEZBSIRKPN-GIGQVBGESA-N 374.253 5.266 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCC[C@@H](c3ncccc3C)C2)N1 962942622 BQIKBYBHHYXURE-GGUMNFRJSA-N 359.517 5.349 0 1 FKAF CO[C@@H]1CC[C@H]2[C@H](CC[C@H]3CC4=CC[C@@H]5C[C@H](OC)CC[C@H]5[C@@H]4CC[C@H]32)C1 2356745729 SRLQTLATHMPQSG-SFUWVIFHSA-N 372.593 6.005 0 1 FKAF CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13863317 BVLBVQUFUDMCEW-OAQYLSRUSA-N 374.484 5.964 0 1 FKAF CC[C@H]1CCC[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13 26720205 KAOWEHFUQIEFQN-QMTRIVCPSA-N 353.550 5.190 0 1 FKAF CC(C)=CCN1CCn2c(=S)[nH]c3cc(Cl)cc(c32)[C@@H]1CC(C)C 27877000 HFQJVFNWKBKYOG-KRWDZBQOSA-N 363.958 5.721 0 1 FKAF O=C(O)c1ccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)cc1 28528371 HVLBTSWQHJSANX-UHFFFAOYSA-N 363.804 5.325 0 1 FKAF CC[C@H](COc1ccc(Cl)cc1Cl)OC(=O)NCc1ccccc1 38231065 RYMZRMGJRSZKBG-OAHLLOKOSA-N 368.260 5.077 0 1 FKAF COc1cc(/C=C/Cc2cc(OC)c3ccsc3c2)cc(OC)c1OC 40566205 DSNWOJNSNGEXGB-AATRIKPKSA-N 370.470 5.192 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H]1C[C@@H]1O 40913353 LZHCSJBKBARIFQ-NFCFDWBMSA-N 359.554 5.382 0 1 FKAF in-vivo Fc1ccc([C@@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(F)c1F 45369036 NZPFOGAFXJOEPL-IBGZPJMESA-N 351.331 5.162 0 1 FKAF CCCCCn1cc(NC(=O)C2CCCCC2)c(=O)cc1-c1ccccc1 66259652 FDWCSFDJVYUHFD-UHFFFAOYSA-N 366.505 5.224 0 1 FKAF Cn1nc(C(C)(C)C)cc1NCc1coc(-c2cccc3ccccc23)n1 72182826 ZFBDHJJOGKZCQG-UHFFFAOYSA-N 360.461 5.138 0 1 FKAF C/C1=C\C[C@@H](OC(=O)c2ccc(F)cc2)/C(C)=C/[C@@H](O)C(C)(C)CCC1 89464626 MSRWAJRVXIEGII-QRVRFADCSA-N 360.469 5.205 0 1 FKAF Nc1nc(-c2ccc(C(F)F)o2)nc2sc(Cc3ccccc3)cc12 96908546 AURLHFYBUXKXRM-UHFFFAOYSA-N 357.385 5.062 0 1 FKAF CCC1(CC)C[C@](CCNCc2ccccc2)(c2ccc(F)cc2)CCO1 96940356 STWFUAGIYHEJBN-HSZRJFAPSA-N 369.524 5.613 0 1 FKAF Cc1ccc2[nH]c(CSc3nnc(-c4cccc(Cl)c4)s3)nc2c1 103185475 BXMGEXIORVWUBS-UHFFFAOYSA-N 372.906 5.336 0 1 FKAF CCOC(=O)/C=C\c1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1 207585120 MKPHJXXMCBKSTI-YVLHZVERSA-N 362.469 5.735 0 1 FKAF in-vitro CCc1ccc(-c2nc3ccc(Nc4ncnc5ccccc45)cc3[nH]2)cc1 299824508 AYSZCOGXVQBOMY-UHFFFAOYSA-N 365.440 5.479 0 1 FKAF CN(C)[C@]1(c2ccccc2)CC[C@@H](OCCc2c[nH]c3ccccc23)CC1 299831360 ODGVWVZPVJLUQP-SAIGFBBZSA-N 362.517 5.127 0 1 FKAF Fc1ccccc1C1(NCc2cccc(CN3CCCCC3)c2)CCCC1 473108495 MEOMTHNSLPBJNU-UHFFFAOYSA-N 366.524 5.371 0 1 FKAF Cc1cc2nc(-c3cn(-c4ccccc4)nc3-c3ccccc3)[nH]c2cc1C 473115304 RMBOGESFMPZIDT-UHFFFAOYSA-N 364.452 5.699 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c1 586897592 GFSZCAXBBCWVGL-UHFFFAOYSA-N 368.436 5.045 0 1 FKAF Clc1ccc(CN2CCC[C@@H]2c2nc3ccc4ncccc4c3[nH]2)cc1 587074811 CPENRNDNJGJJEP-LJQANCHMSA-N 362.864 5.102 0 1 FKAF Cc1cc(Br)c2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc2c1 587151725 VCUSLEYLWCXYTN-VIFPVBQESA-N 367.193 5.052 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1 587151902 WOQPTOTXQBJHCM-FLIBITNWSA-N 360.363 5.243 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(Cl)ncc4[nH]3)c2)c1 587160003 BLCMOWQPDZUZMD-UHFFFAOYSA-N 353.784 5.093 0 1 FKAF CC[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356822 RYHBCDBJWPJMID-RBBKRZOGSA-N 354.421 5.229 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)CCC3)c1 587365127 FBQQPWYQARWMOO-UHFFFAOYSA-N 357.453 6.271 0 1 FKAF O=C1C[C@]2(CCc3c(C(F)(F)F)cccc32)Oc2c1ccc1c2CCCC1 587508414 OUXOYMCJKQORDU-NRFANRHFSA-N 372.386 5.391 0 1 FKAF CCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587520477 CPTFYWVFSXWSFW-JOCHJYFZSA-N 350.458 5.369 0 1 FKAF O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587520633 AZZUVIYEQLBQQP-DEOSSOPVSA-N 370.448 6.064 0 1 FKAF O=C1C[C@H](c2ccccc2-c2nccs2)Oc2c1ccc1c2CCCC1 587536145 SANGRCYTVIBQDF-HXUWFJFHSA-N 361.466 5.395 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cc(F)ccc12 587632674 HBMWSLMRBKCSCB-UHFFFAOYSA-N 352.192 5.458 0 1 FKAF O=C(O)c1cccc2c(C(=O)C(F)F)c(-c3cccc4ccccc34)[nH]c12 587637358 HHSGRTLBCCZNJQ-UHFFFAOYSA-N 365.335 5.134 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2C(C(C)(C)C)(C(C)(C)C)N1 587812513 QZYMGJPZDRTSND-NSHDSACASA-N 356.323 5.410 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCCCCCC2)N1 587824649 YEILQUWLEHFSSI-KPZWWZAWSA-N 354.307 5.524 0 1 FKAF CC[C@@]1(Cc2nc3ccc(OC(C)C)cc3[nH]2)CC(=O)c2ccccc2C1 587959846 IFOPSFLQEGDENP-QHCPKHFHSA-N 362.473 5.118 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(C)(C)C)c1cccc(OC)c1 963235038 FKACSGZNTCKJKS-DFBJGRDBSA-N 365.561 6.032 0 1 FKAF FC(F)(Cl)c1nc(Nc2ccc(Cl)cc2Cl)c2ccccc2n1 1772620441 KVDGUAQYGCLYAO-UHFFFAOYSA-N 374.605 5.968 0 1 FKAF Clc1ccc(C2=CSC3=NN=C(SCc4ccccn4)[C@@H]23)cc1 1772657210 HELAHDTVMYQYPZ-OAHLLOKOSA-N 357.891 5.098 0 1 FKAF c1ccc(Oc2ccc(-c3cnc4cnc(-c5cccnc5)cn34)cc2)cc1 1857621764 XCRPFRLJCUYDQL-UHFFFAOYSA-N 364.408 5.251 0 1 FKAF FC(F)(F)C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S 1857760001 LNJWBBSGAFWSJZ-AWEZNQCLSA-N 368.811 5.251 0 1 FKAF CCCC[C@@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13470798 FPIHUZAABXEZHI-FQEVSTJZSA-N 363.501 6.593 0 1 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(Br)cc1-3 13490440 KRGAYZJXZMMOOH-UHFFFAOYSA-N 356.263 5.616 0 1 FKAF Cc1ccccc1Nc1nnc(-c2cccc3cnccc23)c2ccccc12 28572306 AQWOEJFWZLDYCH-UHFFFAOYSA-N 362.436 5.897 0 1 FKAF in-vivo Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3cnn4C)cc2)c1 35325029 YDQKGDYQOOLJNI-UHFFFAOYSA-N 356.429 5.193 0 1 FKAF Cc1[nH]c(C)c(-c2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(=O)c1Cl 45189357 NFPOBNFMMGFTOP-UHFFFAOYSA-N 372.251 5.197 0 1 FKAF CCCCCOc1ccc([C@@](C)(O)/C=C/[C@H]2C(C)=CCCC2(C)C)cc1 49066595 OGMUENNXEHXDIX-DPAYKPLSSA-N 356.550 6.402 0 1 FKAF O=C(c1ccc2ccccc2c1)N(Cc1ccc(F)cc1)c1ccncc1 49112024 MQJXOIDGELXEHE-UHFFFAOYSA-N 356.400 5.221 0 1 FKAF in-vivo O=C(Nc1ccc(F)c(F)c1)Nc1cc(C2CCC2)nn1-c1ccccc1 96273828 OVKLTZBQWAZPAV-UHFFFAOYSA-N 368.387 5.062 0 1 FKAF O=C(Oc1ccccc1)c1cc(-c2cc3ccccc3o2)nc2ccccc12 103191925 NLCYONAUPVCLOQ-UHFFFAOYSA-N 365.388 5.867 0 1 FKAF Cc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)o1 103872413 PMAGJJFGMZWYNU-MZNJEOGPSA-N 370.452 6.217 0 1 FKAF CCN(CC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)cc2ccccc12 169336135 KEBRXDKFOCSISR-QFIPXVFZSA-N 353.893 5.535 0 1 FKAF CCO[C@@H]1c2c(C)coc2C[C@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]12C 238764545 TWEHZCXWBLXVIK-QQMARJFVSA-N 360.494 5.152 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(Br)cnc2[nH]1 586878516 JCIPHUZGXIFRER-UHFFFAOYSA-N 364.246 5.363 0 1 FKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 586879247 NBFFTESLAGWJOL-UHFFFAOYSA-N 362.816 5.557 0 1 FKAF Cc1cnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 587039212 BDNJPBDOFFHIGE-UHFFFAOYSA-N 358.470 5.112 0 1 FKAF Cc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587047685 ALLIWKVRQJJTTA-VHSXEESVSA-N 351.664 6.103 0 1 FKAF Fc1cc2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2cc1-n1cccn1 587053227 AANFVUDOCPHOMU-WAYWQWQTSA-N 373.218 5.365 0 1 FKAF Clc1cccc(/C=C/c2nc3ccnc(Br)c3[nH]2)c1Cl 587053265 ARHNTAGDYHJERE-SNAWJCMRSA-N 369.049 5.198 0 1 FKAF Oc1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587112696 XUADFQWUBVUSAR-UHFFFAOYSA-N 374.284 5.091 0 1 FKAF Fc1ccc(/C=C(\c2nc3cncc(Cl)c3[nH]2)c2cccs2)cc1 587164289 PMXVPGJGBORMMO-JYRVWZFOSA-N 355.825 5.401 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cc(-c5ccc(F)cc5)n(C)c4C)[nH]c32)n1 587165922 HMDNNNUQPLTKSL-UHFFFAOYSA-N 370.431 5.540 0 1 FKAF COc1cccc(-c2cc([C@H]3C[C@H]4C=C[C@@H]3C4)nc3c2oc2ccccc23)c1 587364456 AGGZBSMALDVHNG-VPWXQRGCSA-N 367.448 6.336 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)c(F)c1)(C(C)C)CC2=O 587467463 SINAMXCIBFBNNW-NRFANRHFSA-N 360.400 5.140 0 1 FKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(C)C 587521702 JCDKSADXELLZIA-QFIPXVFZSA-N 350.458 5.368 0 1 FKAF O=C1C[C@](Cc2ccccc2)(c2cccs2)Oc2c1ccc1c2CCCC1 587529713 BHAOVKCFJWTHCZ-XMMPIXPASA-N 374.505 5.730 0 1 FKAF CC(C)(C)c1[nH]c2cccc(F)c2c1Cc1ccccc1Br 587632069 DFQZEMUUGMNMKO-UHFFFAOYSA-N 360.270 5.958 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCC(F)(F)F)N1 587708997 GZHAPIPGORVELR-YMTOWFKASA-N 368.212 5.070 0 1 FKAF Cc1ccc2c(c1)[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816892 FLZBQUPLRQCMQA-RNODOKPDSA-N 374.297 5.011 0 1 FKAF CCCCC1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587816915 FUVLQSOLRWHRFX-CDJWAVJASA-N 368.334 5.698 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c2)cc1 587936067 QTXANZWUYICGPH-UHFFFAOYSA-N 356.469 6.203 0 1 FKAF Oc1cc(-c2ccco2)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587944458 CDNIYNRKRANXRW-MRXNPFEDSA-N 367.376 5.114 0 1 FKAF CSc1ccc(-c2cccc([C@@H]3NCCc4ccc(F)c(C)c43)n2)cc1 962296166 FDWIOXNCEQYVPS-QFIPXVFZSA-N 364.489 5.153 0 1 FKAF CCc1c([C@@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)oc2ccc(C)cc12 963102868 GFUKUHRMTJNQAR-BXKMTCNYSA-N 363.476 5.727 0 1 FKAF Fc1cccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc43)c2)c1 1857538318 LIVIRMOYPQJEDC-UHFFFAOYSA-N 367.447 5.318 0 1 FKAF Cc1cnc(Nc2cccc(F)c2)nc1Nc1nc2ccccc2s1 1857550886 FLTFYAGNCCCPPX-UHFFFAOYSA-N 351.410 5.021 0 1 FKAF c1coc(-c2ccc(CNCCNCc3ccc(-c4ccco4)cc3)cc2)c1 1857558264 QECYFCAUSFMPOS-UHFFFAOYSA-N 372.468 5.086 0 1 FKAF COc1ccc(-c2cc(C(C)=O)c3[nH]c(-c4ccc(OC)cc4)cc3c2)cc1 1857617258 MDEALKOBRXFSTN-UHFFFAOYSA-N 371.436 5.722 0 1 FKAF COc1cc(OC)cc(-c2cc3ccccc3c(-c3ccc(O)cc3)n2)c1 1857648428 QSCILNWGAPCANE-UHFFFAOYSA-N 357.409 5.292 0 1 FKAF CCOC(=O)Nc1sc2ccccc2c1Nc1ccc(F)c(Cl)c1 1857655352 XLQFBIPTVNETRD-UHFFFAOYSA-N 364.829 6.006 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3O)c3oc4cc(O)ccc4c3n2)c1 1857762387 MXKFKUBCOZFOOR-UHFFFAOYSA-N 369.376 5.432 0 1 FKAF COc1ccc2cnccc2c1-c1ccc(Oc2nccc3occc23)cc1 1857772350 IYKSDQDBJIYZDN-UHFFFAOYSA-N 368.392 5.844 0 1 FKAF CSc1ccc(O[C@@]2(C)CCN(Cc3ccc(C(C)C)cc3)C2)cc1 61895449 UHCYPXDPFKQRHS-QFIPXVFZSA-N 355.547 5.575 0 3 FKAF C[C@H](c1cc(=O)[nH]c(SC2CCCC2)n1)c1c(Cl)cccc1Cl 5890520 ZXIGCDPQJLENIW-SNVBAGLBSA-N 369.317 5.263 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC[C@@H](O)CO 13479522 MHROLVDNBHVTMB-PYLLGFJESA-N 364.570 5.502 0 1 FKAF COc1cccc2c(Nc3ccccc3C)nc(N(C)c3ccccc3)nc12 13742287 INKLTUZCKOHPGT-UHFFFAOYSA-N 370.456 5.458 0 1 FKAF C[C@@H](c1ccncc1)c1nnc(Nc2ccc(Cl)cc2)c2ccccc12 13808841 AFECIUCRUIZUKP-AWEZNQCLSA-N 360.848 5.574 0 1 FKAF CC/C=C\C/C=C/C/C=C/CCCCCCCc1cccc(O)c1C(=O)O 15270270 MBYMHCHZLAJVRK-YSFKBSJESA-N 370.533 6.832 0 1 FKAF endogenous,in-man Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2c2cc(-c4ccccc4)no2)N3C)cc1 26664450 SSEYJTZXHQMBJU-RDCABSMISA-N 358.485 5.384 0 1 FKAF CCCCCCOc1c(OC)cc(N[C@H](C)CCCN)c2nccc(C)c12 28223189 RDIBJGVCLJKGFR-QGZVFWFLSA-N 373.541 5.050 0 1 FKAF CN1CCc2c(c3cc(F)ccc3n2/C=C\c2ccc(C(F)(F)F)cc2)C1 45350651 QAPNIPNUULKTRP-FLIBITNWSA-N 374.381 5.415 0 1 FKAF CC1(C)C[C@](CCNc2cc(Cl)ccc2F)(c2ccccc2)CCO1 72109795 OVAWPUAEWGIGKL-OAQYLSRUSA-N 361.888 5.808 0 1 FKAF O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1Cc1ccccc1 72141425 ODFCIRUTZBBESE-NTCAYCPXSA-N 372.855 5.269 0 1 FKAF Fc1ccc(-c2cc(NCc3ccc(F)cc3C(F)(F)F)ncn2)cc1 82161026 KAJKTTUMPKOLLT-UHFFFAOYSA-N 365.305 5.053 0 1 FKAF Cc1cnc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc(F)cc2)o1 82164162 XDGWVALTPSGQCU-FZKQIMNGSA-N 366.440 5.237 0 1 FKAF FC(F)(F)c1ccc2c(c1)CN1CN2Cc2cc(C(F)(F)F)ccc21 103179810 MCBSQMTZOWTKBB-UHFFFAOYSA-N 358.285 5.022 0 1 FKAF CC[C@@H](C)C[C@@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197713 MTNMQRCVEVQDPA-GHMZBOCLSA-N 373.444 5.292 0 1 FKAF CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1C(C)(C)C)CCCC3 113125673 MSWMDEDGZCENPR-AWEZNQCLSA-N 359.535 5.749 0 1 FKAF CCOc1ccc(Nc2ncc(C)c(Nc3ccc(OCC)cc3)n2)cc1 114321362 AIJKPCMNFVVFDW-UHFFFAOYSA-N 364.449 5.070 0 1 FKAF CC1=CC(C)(C)Nc2ccc(C(=O)c3ccc4c(c3)C(C)=CC(C)(C)N4)cc21 238735222 GIMUDQNJMUDGGP-UHFFFAOYSA-N 372.512 6.132 0 1 FKAF CCO[C@]1(C)C[C@@]23CC[C@@H]4[C@@](C)(COC(C)=O)CCC[C@@]4(C)[C@@H]2C=C[C@@H]1C3 238771440 OWUYFGXZDKBJRR-APZNWPTMSA-N 374.565 5.534 0 1 FKAF CC(C)=CCC[C@H](C)c1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586990379 CITWYNZUDHWIBU-HNNXBMFYSA-N 357.453 6.002 0 1 FKAF CCN(CC)[C@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 586997654 UYEPTLQULMSGKD-FQEVSTJZSA-N 370.496 5.474 0 1 FKAF Cc1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2c1C 587017391 KVFPLKIPTSIPHJ-UHFFFAOYSA-N 371.469 5.017 0 1 FKAF Cc1cnc(Cl)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc12 587048703 JROYGGLLSCGAFF-BDAKNGLRSA-N 352.652 5.498 0 1 FKAF Cc1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1Br 587084131 GXJXLRZNXAPMIV-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF Cc1cc(Cl)cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587124119 IISAYWRIOOVCIL-QPJJXVBHSA-N 368.811 6.307 0 1 FKAF CCOc1cc(/C=C\c2nc3cccc(Cl)c3[nH]2)ccc1OC(F)F 587130021 IYUGGLPLEWQAPA-CLFYSBASSA-N 364.779 5.387 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(C)ccnc4[nH]3)c(Cl)c2)cc1F 587147113 HEOWLMLFIFZJSR-UHFFFAOYSA-N 351.812 5.701 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587160758 GEKNBJHSNNWAML-QWRGUYRKSA-N 354.734 5.645 0 1 FKAF Cc1ccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c(Cl)c1 587209427 PFBGFIPCOCQOKE-UHFFFAOYSA-N 355.868 6.629 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 587251155 ZULDIVFSBUXKMH-UHFFFAOYSA-N 355.228 5.181 0 1 FKAF CC[C@@H]1CC[C@H](C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587350746 FEBHBILPVBWGBV-NPDZFYNASA-N 368.448 5.475 0 1 FKAF COc1cccc(-c2cc(C(=O)CC(C)C)nc3c2oc2ccccc23)c1 587365713 OGWZJTNHZIPMRE-UHFFFAOYSA-N 359.425 5.885 0 1 FKAF CC[C@@H](C)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587527081 UQRVFNJKSHOJQI-IQMFZBJNSA-N 364.485 5.794 0 1 FKAF O=C1C[C@H](c2ccccc2-c2cccs2)Oc2c1ccc1c2CCCC1 587530548 FSOWBRKYUHSWAK-OAQYLSRUSA-N 360.478 6.000 0 1 FKAF O=C1C[C@H](c2csc(Br)c2)Oc2c1ccc1c2CCCC1 587530996 HTQQZXSGMCXTLA-OAHLLOKOSA-N 363.276 5.096 0 1 FKAF COc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1F 587783568 COZOLXBWYKPFEV-FMIVXFBMSA-N 374.415 5.460 0 1 FKAF CC(C)=CCC[C@@H](C)C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821029 SGPWAVAIHZAOOR-PJIJBLCYSA-N 368.334 5.936 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ccc(F)cc1 587857102 ZXULAVUJNHKQDU-UHFFFAOYSA-N 365.235 5.443 0 1 FKAF CC/C(=C/c1nc2cc(C)c(Br)cc2[nH]1)c1ccc(C)cc1 587968924 WOSXDRCJGJPZQO-UVTDQMKNSA-N 355.279 5.893 0 1 FKAF Cc1cccc([C@]2(c3ccc(C(C)C)cc3)NCCc3cc(C)c(F)cc32)n1 962380636 XKUWMDPQIDRSRL-RUZDIDTESA-N 374.503 5.399 0 1 FKAF CSCCCCCCC[C@H](O)CCCCCCCCSC(=N)O 2356788406 WZDZLHDPUIKKRT-QGZVFWFLSA-N 363.633 6.008 0 1 FKAF CCCCCn1c(-c2ccco2)nc2c(NCc3ccccc3)nccc21 2382224657 AIQFHNQYZNRWNO-UHFFFAOYSA-N 360.461 5.494 0 1 FKAF Nc1c2c(nc3ccccc13)CCC[C@H]2N1CCC(c2ccccc2)CC1 1913912 PGVCHVAHRSNQMJ-JOCHJYFZSA-N 357.501 5.074 0 1 FKAF CC(C)OC(=S)Nc1ccc(Cl)c(C(=O)OC(C(C)C)C(C)C)c1 13474506 LHZMIBSXENLDCU-UHFFFAOYSA-N 371.930 5.299 0 1 FKAF CCN(CC)CCS[C@@H]1Cc2ccccc2Oc2ccc(SC)cc21 27555163 PZVJXPCJOCOJQX-OAQYLSRUSA-N 373.587 5.873 0 1 FKAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCCCCC[C@H]1N(C)C 28240273 BFCJTKARVHSAAF-MSOLQXFVSA-N 371.352 5.389 0 1 FKAF O=c1cc(-c2ccccc2)[nH]c2ccc3c(ccn3Cc3ccccc3)c12 28863690 NHKKAAWKFYXPEG-UHFFFAOYSA-N 350.421 5.198 0 1 FKAF Cc1cc(Nc2nc(Sc3cccc(Cl)c3)nc3ccccc23)n[nH]1 34044746 IBWNGAFCNXNEDG-UHFFFAOYSA-N 367.865 5.210 0 1 FKAF C[C@H]1CN(C(c2ccccc2)c2ccccc2)CC[C@@]1(O)c1ccccc1 40401842 GRXVSGFWVGQEOE-CPJSRVTESA-N 357.497 5.006 0 1 FKAF COc1ccc(-c2csc(-c3cc(Cl)cc(Cl)c3Cl)n2)cc1 40976103 DEUXBTXGUQIKFE-UHFFFAOYSA-N 370.688 6.446 0 1 FKAF N=C(N)c1ccc2cc([C@@H]3C[C@H]3c3ccccc3)cc(Br)c2c1 58538678 PDOPCKAPHCDUPT-IRXDYDNUSA-N 365.274 5.157 0 1 FKAF C[C@H]1c2c(Cl)c(-c3cccc4cc[nH]c34)cc(F)c2NC(C)(C)[C@@H]1O 66098030 LLXFDJBUWABDDG-APBUJDDRSA-N 358.844 5.296 0 1 FKAF Oc1ccc(-c2cc(-c3cccnc3)nc(-c3ccccc3Cl)c2)cc1 95554898 SJZQUWUJYBFWBY-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 141012099 NJOZMXPYSSAWEY-RVJJPSTCSA-N 364.577 5.706 0 1 FKAF Cc1cncc(C2=CC[C@H]3[C@@H]4CC[C@H]5CCCCC[C@]5(C)[C@H]4CC[C@]23C)c1 169230502 IIOPHUFLDXUMOY-BRSOJCHPSA-N 363.589 7.206 0 1 FKAF CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3cccc(Cl)c32)CC1(C)C 253643394 CRLRIFICOHQHTR-ICSRJNTNSA-N 372.915 5.082 0 1 FKAF Cc1cc(C[C@H](C)[C@@H]2CC[C@@H](C)[C@H](c3ccc(O)c(C)c3)C2)ccc1O 254120968 VLPXHDDRKFSEFV-FLUSEDSTSA-N 352.518 6.113 0 1 FKAF CCc1ccc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1 586990698 FDHWSMZHWXAEJT-UHFFFAOYSA-N 365.432 5.305 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587062474 TUYSCYWWDDEDKQ-MRVPVSSYSA-N 358.722 5.303 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587062476 TUYSCYWWDDEDKQ-QMMMGPOBSA-N 358.722 5.303 0 1 FKAF COc1ccc(F)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103576 KKXLLRKWNDRKHH-UHFFFAOYSA-N 355.368 5.261 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 587152866 SVNAHKQOZCNMLW-IRXDYDNUSA-N 374.390 5.343 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c2)c1 587160645 YFNHAINQQHCLII-UHFFFAOYSA-N 374.459 6.342 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587170186 LNZVTEXFVFNRGF-MRVPVSSYSA-N 356.800 5.529 0 1 FKAF O=C(Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1)c1ccccc1 587214430 ZZHBNBUHCBBWND-UHFFFAOYSA-N 350.421 5.253 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2cc(F)c(F)cc2[nH]1 587241255 RXVWAIZDHVTRDZ-UHFFFAOYSA-N 351.356 5.260 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)c(F)cc1Cl)CC2=O 587468452 XLRKXWVWHJITPB-LJQANCHMSA-N 366.791 5.157 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(Oc3ccccc3)c1)CC2=O 587477700 IIBLAIAFSRHWOT-QHCPKHFHSA-N 374.436 5.844 0 1 FKAF O=C1C[C@H](c2c(F)cc(F)c(Cl)c2F)Oc2c1ccc1c2CCCC1 587502655 FVZIQVLFUNVVLZ-OAHLLOKOSA-N 366.766 5.343 0 1 FKAF CCCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601745 GVXBRKKFMWQADE-ZJSXRUAMSA-N 374.436 5.222 0 1 FKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CN(C)C(C)C 587626024 OZQWHBBKGXOLOP-UHFFFAOYSA-N 352.322 5.354 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C3CCOCC3)c(-c3ccc(F)cc3)c2c1 587642468 NVAMKJYVFAMFGH-OAHLLOKOSA-N 351.465 6.382 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1CCC1CCCCC1 587862435 AMUAEEZAJSHTLW-UHFFFAOYSA-N 352.400 5.548 0 1 FKAF CC[C@@H](OC(=O)c1ccccc1)c1nc(-c2cc(F)ccc2F)cs1 587921791 ZMKGLDKSDCKPJZ-QGZVFWFLSA-N 359.397 5.396 0 1 FKAF Brc1cccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587961053 HYJDMWXQYQKAOQ-UHFFFAOYSA-N 363.258 5.583 0 1 FKAF Cc1ccc(CC[C@]2(c3ccc(C)cc3)NCCc3ccc(F)c(C)c32)cc1 962377412 RIRIRCCSUQILLD-AREMUKBSSA-N 373.515 5.773 0 1 FKAF Clc1oc2ccccc2c1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962672296 WKRHNWPDTBZPQT-JOCHJYFZSA-N 359.856 5.988 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-c3ccc(O)cc3)s2)N1 962946322 LJFGGVVGQFHUIP-NPMXOYFQSA-N 374.509 5.616 0 1 FKAF Clc1cccc(-c2cc(-c3cccs3)c3oc4ccccc4c3n2)c1 1772642680 HAVZNWNEAWRZMG-UHFFFAOYSA-N 361.853 7.030 0 1 FKAF CCCCCCOc1cc(Cl)c(C(=O)CC[N@@]2C[C@H]2C)cc1Cl 1857606397 FWEQPKVOKVCVSZ-ASSNKEHSSA-N 358.309 5.229 0 1 FKAF O=Cc1ccc(C2=C(c3ccc(O)cc3)CCOc3cc(F)ccc32)cc1 1857770230 ONFJPDOWLGHONB-UHFFFAOYSA-N 360.384 5.085 0 1 FKAF CC(=O)Oc1ccc([C@H](c2ccc(C(C)(C)C)cc2)c2ccccn2)cc1 2382244734 XUOIELIRGCSILJ-QHCPKHFHSA-N 359.469 5.485 0 1 FKAF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2N=C(Nc3ccccc3)CCC[C@@]21C 6041559 GLLCVTMTSMMJAZ-IEEQIXEPSA-N 354.582 6.928 0 1 FKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)[C@@H](O)c1ccccc1 8579821 IUZXDEIEFTZAQM-XDZVQPMWSA-N 362.557 6.554 0 1 FKAF biogenic CN1C(=S)OC(C)(C)c2cc(-c3cccc(Br)c3)ccc21 13488880 SIMDIPRHWWBILA-UHFFFAOYSA-N 362.292 5.103 0 1 FKAF COP(=O)(OC)Oc1nc(-c2ccccc2)sc1-c1ccccc1 13822647 SBMVIWAHTSVGFX-UHFFFAOYSA-N 361.359 5.257 0 1 FKAF O=C(O)[C@@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 14978917 ABFWFUAKPRLLAW-FGZHOGPDSA-N 359.425 5.279 0 1 FKAF CC1=CC[C@@H]2[C@H](C1)c1c(O)cc(CCCCC(F)(F)F)cc1OC2(C)C 26393712 JIFAGTGHNWWHCX-JKSUJKDBSA-N 368.439 6.278 0 1 FKAF CC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/CCC(=O)NCCO 27738200 GEEHOLRSGZPBSM-FJOPGZJJSA-N 371.565 5.573 0 1 FKAF CCCCCOc1cc2ccccc2cc1[C@@H](O)C/C=C\CCCC(=O)O 34635675 DFUPBCGIVOJPKD-CDFDFNMFSA-N 370.489 5.643 0 1 FKAF COc1ccc([C@H](CC(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1 35076178 GOHGUYDNJQVNGR-NRFANRHFSA-N 355.437 5.581 0 1 FKAF CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(C)C)cc3)ccc2n1 36351810 XVZPYZCIHYPCMH-MDWZMJQESA-N 373.500 5.545 0 1 FKAF Clc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)s2)cc1 38494778 YEDSOPYYVPIBRO-UHFFFAOYSA-N 358.879 5.027 0 1 FKAF C[C@H](Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(F)c(Cl)c1 43060007 JTABXAKQNGPJKS-SNVBAGLBSA-N 357.281 5.050 0 1 FKAF Cc1cc(C)c[n+](CCCCCCCCCCC[n+]2cc(C)cc(C)c2)c1 45373353 WGIJQHIOPIFFAV-UHFFFAOYSA-N 368.609 5.706 0 1 FKAF CCCCCn1c2ccccc2c2cc(C(=O)OCc3ccccn3)ccc21 96938077 BIYWSSMXBDMETM-UHFFFAOYSA-N 372.468 5.737 0 1 FKAF Cc1ccc(-c2cc([C@@H](O)C[C@@H]3CCCCN3)c3cc(C)cc(C)c3n2)cc1 169334602 HQCJBJGJAWODSX-RDPSFJRHSA-N 374.528 5.393 0 1 FKAF O=C(Nc1ccccc1F)Nc1ncccc1OCc1ccccc1Cl 206927325 MKEQWJPENJNEQM-UHFFFAOYSA-N 371.799 5.097 0 1 FKAF N#Cc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 218301367 LWPFAOGAYMQGMX-JOCHJYFZSA-N 351.409 5.076 0 1 FKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@H]3[C@H](CC[C@@]3(C)O)C(C)=CC[C@@H]12 238753053 JNYWQVTXIGGOTC-NMLLCSTHSA-N 358.610 6.919 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(Cl)nc3[nH]2)c1 586878531 JNNTUNDGUHURBZ-UHFFFAOYSA-N 361.832 5.126 0 1 FKAF Cc1nccc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c12 587056303 LJNWRKKMUKSSMP-UHFFFAOYSA-N 374.227 5.412 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2c(Cl)c(Cl)cnc2[nH]1 587065941 FVJISZYIXJDVIP-UHFFFAOYSA-N 370.667 5.238 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(Cl)cccc1CC3 587103543 JCGCVCNHCGBDNJ-UHFFFAOYSA-N 367.835 5.865 0 1 FKAF COc1cccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587109629 ICWVWUCWSXGZFM-UHFFFAOYSA-N 374.284 5.200 0 1 FKAF FC(F)(F)Oc1cccc(CSCc2nc3ccc(Cl)cc3[nH]2)c1 587124805 ONFYFABNJPIPRO-UHFFFAOYSA-N 372.799 5.548 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc4sccc4s3)nc3cccc1c23 587208596 VPHUHXMQDBLNIZ-UHFFFAOYSA-N 369.470 6.389 0 1 FKAF Cc1ccccc1COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587214238 PNIIPDVRKPPBNH-UHFFFAOYSA-N 351.449 5.888 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)cc(C)c(Cl)c1C)CC2=O 587460607 NTWWCYDMQGYEGT-QGZVFWFLSA-N 360.837 5.027 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1Cc1ccccc1)CC2=O 587487222 ZPMDTKXRLBBBAI-KOSHJBKYSA-N 364.485 5.482 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(SCC(C)C)cc1)CC2=O 587491209 KNMQNROHRJMCEH-OAQYLSRUSA-N 370.514 5.799 0 1 FKAF O=C1C[C@H](c2ccc(F)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587510670 XEWXAYHRTXRVNK-GOSISDBHSA-N 364.338 5.430 0 1 FKAF O=C1C[C@]2(CCCC[C@H]2C2=CCCCC2)Oc2c1ccc1c2CCCC1 587521807 DCMFQRYAVUSOFT-URXFXBBRSA-N 350.502 5.960 0 1 FKAF CC(C)[C@@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587532379 PWOBGNCPKTZSLZ-HXUWFJFHSA-N 360.906 5.797 0 1 FKAF CCCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2c(C(=O)O)cccc12 587637067 BLAQRFOQSJZISW-UHFFFAOYSA-N 363.335 5.384 0 1 FKAF CCc1cc(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587817581 CTRRXROKJMEGGA-HXPMCKFVSA-N 362.286 5.083 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)c1 587933362 ZGNHTXNCMGZXOH-UHFFFAOYSA-N 368.795 5.404 0 1 FKAF C[C@@H]1CCc2ccccc2[C@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962701218 JRELPNBGTMWTSE-QSAZIKIQSA-N 367.533 5.015 0 1 FKAF Cc1ccc(N(C)c2ccc([C@H]3NCCc4c3sc(C)c4C)cc2)cc1 963012293 PZXRESMSTZYAQT-JOCHJYFZSA-N 362.542 5.676 0 1 FKAF Oc1ccc(Nc2nc(/C=C/c3cccc(Cl)c3)nc3ccccc23)cc1 1857601223 IPEWPQFSJOBTAD-MDWZMJQESA-N 373.843 5.903 0 1 FKAF Clc1ccc2nc(SCc3ccccc3Oc3ccccc3)[nH]c2c1 1857651976 QDTCDKFMUIUKPB-UHFFFAOYSA-N 366.873 6.301 0 1 FKAF C[C@@H]1CC[C@@H]2CC[C@@H]3C(=C[C@@]4(C)[C@@H]3[C@H]3C(C)(C)CC[C@@]3(C)C[C@H]4O)[C@@]12C 2356620594 YIPZSYQSAKRRRI-SJTQEINESA-N 356.594 6.218 0 1 FKAF CC(C)(C)c1ccc([C@H](O)c2ncc(-c3ccc4ccccc4c3)[nH]2)cc1 61926930 UUFUKYKMBGJOPW-QFIPXVFZSA-N 356.469 5.609 0 3 FKAF CN1CCC2(CC1)S[C@@H](c1ccc(Cl)cc1Cl)c1ccccc12 27878681 PJWKZFXIYIVONB-GOSISDBHSA-N 364.341 5.751 0 1 FKAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)c1sccc1-2 33827340 BQUDFNSJTOYURU-CABCVRRESA-N 358.547 7.068 0 1 FKAF CCCCCCc1ccccc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O 40897308 BUHAJXUQBFAUIZ-HXUWFJFHSA-N 360.881 5.538 0 1 FKAF Fc1cccc(-c2nc(Nc3ccccc3F)c3cc(F)ccc3n2)c1 72116243 CPENHURBAPMEGT-UHFFFAOYSA-N 351.331 5.458 0 1 FKAF CN1c2ccccc2-c2nnc(-c3ccc4ccccc4c3)n2-c2ccccc21 96173945 GYZKXPDUVKUQQZ-UHFFFAOYSA-N 374.447 5.836 0 1 FKAF O=C1CC(=O)CC(c2cc(-c3cccc(Cl)c3)cc(C(F)(F)F)c2)C1 102974572 UXXPYGNIHNTLCJ-UHFFFAOYSA-N 366.766 5.432 0 1 FKAF C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1 204750841 YLKDCSFIEDEUOJ-CXAGYDPISA-N 366.852 5.293 0 1 FKAF COc1cc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2cc1Cl 586898350 HRUBMSTYXZUNOT-UHFFFAOYSA-N 350.805 5.265 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(O)c(Br)ccc4[nH]3)cc2)o1 586903027 LFLHZPLMFHTKGA-UHFFFAOYSA-N 369.218 5.266 0 1 FKAF Oc1ccc2scc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2c1 587033374 UFOFBPVWAFRTNE-UHFFFAOYSA-N 366.389 5.762 0 1 FKAF Clc1ccc(-c2cnccc2-c2nc3c(cnc4ccccc43)[nH]2)cc1 587076805 PIZHGBSYUTWEDS-UHFFFAOYSA-N 356.816 5.494 0 1 FKAF CCCCCCc1nc2c(C)ccc3c2c(c1CC)-c1ccccc1C3=O 587099560 MTKOEDUJZHWFFG-UHFFFAOYSA-N 357.497 6.440 0 1 FKAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)s1 587102035 LKWGHVAIZRWMCB-UHFFFAOYSA-N 355.462 6.100 0 1 FKAF Cc1c(-c2cc(F)c(O)c(F)c2)nc2cccc3c2c1-c1ccccc1C3=O 587103865 NKQCSDVGAGMICP-UHFFFAOYSA-N 373.358 5.405 0 1 FKAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587162904 GNYABJMSQNXFGA-OAHLLOKOSA-N 371.765 5.025 0 1 FKAF FC(F)(F)c1cccc([C@@H]2CCc3nc4cccc5c4c(c3C2)CC5)c1 587210208 JTHMDHSKMKUMTE-OAHLLOKOSA-N 353.387 5.625 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 587250169 JKPGKAOHKZIMEO-UHFFFAOYSA-N 353.347 5.498 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](c3ccccc3)C1)CC2=O 587481468 MMANTGFLCLMNBC-UZUQRXQVSA-N 350.458 5.407 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(C)c(C)c(C)c1C)CC2=O 587486197 XBPWQWGUUQITPS-OAQYLSRUSA-N 352.474 5.593 0 1 FKAF O=C1C[C@H](c2ccc(-c3ncccc3F)o2)Oc2c1ccc1c2CCCC1 587500283 AYBUFTWAWLKPKN-HXUWFJFHSA-N 363.388 5.066 0 1 FKAF O=C1C[C@H](c2ccc(-c3nccs3)cc2)Oc2c1ccc1c2CCCC1 587535070 IARGZIFKEAIMJN-HXUWFJFHSA-N 361.466 5.395 0 1 FKAF CCCC[C@]1([C@H]2CCOC(C)(C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 587535932 PKWZKDQFSURLCM-MHECFPHRSA-N 370.533 5.665 0 1 FKAF CC(C)COc1cccc(OCc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587565998 OWJXNKMPGJBOJD-UHFFFAOYSA-N 366.795 5.108 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)N(C)Cc1ccccc1Cl 587629118 VEBIRZWQGPFGGY-UHFFFAOYSA-N 365.235 5.194 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(C)(C)C)CC2)N1 587816726 CAWUMUDMBNOMKD-YXZFSOQLSA-N 368.334 5.554 0 1 FKAF CC1=C[C@H](C)C[C@H]([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 587822208 JEFAXEUMBRGPHQ-UEIBITKBSA-N 352.291 5.156 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc2c(c1)CCC2 587860349 RQCDNWBZWPGBFM-UHFFFAOYSA-N 373.283 5.734 0 1 FKAF CCc1ccc(CC)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587946445 TWCTZNPTXCGZJE-UHFFFAOYSA-N 361.464 5.198 0 1 FKAF FC(F)(F)c1cnc2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 587950095 PHKBLBVNSRPGLD-UHFFFAOYSA-N 369.346 5.360 0 1 FKAF CCc1ccc(-c2nc([C@H]3NCCc4cc(C)c(F)cc43)cs2)cc1 962094696 URDYDAWLVPRGFK-FQEVSTJZSA-N 352.478 5.055 0 1 FKAF CCC[C@H](C)[C@]1(c2ccccn2)NCCc2cccc(-c3ccccc3)c21 962659121 DTBRQCZSRKSRHC-UQBPGWFLSA-N 356.513 5.574 0 1 FKAF Cc1cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)sc1Br 963115401 WOQQXFYBXJEFJU-CJNGLKHVSA-N 366.299 5.068 0 1 FKAF COc1cc(OC)cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 1772587233 BYHDPACSNXFGPN-UHFFFAOYSA-N 356.425 5.428 0 1 FKAF CN(C/C=C/c1ccc(Br)cc1)Cc1coc2ccccc12 1772588534 BLDYHMSDQBPJJX-SNAWJCMRSA-N 356.263 5.341 0 1 FKAF Cc1ccc(-c2nc(-c3oc(-c4ccc(F)cc4)nc3C)cs2)cc1 1772613235 MRXXEBAHYBQENO-UHFFFAOYSA-N 350.418 5.888 0 1 FKAF CCN(C/C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)CCO2 1772619581 RQFWQRSQJJUUMH-VOTSOKGWSA-N 369.508 5.824 0 1 FKAF O=C(Nc1ncc(Cc2cccc3ccsc23)s1)C1CCCCC1 1857756551 JAGBYRKHFNSYHB-UHFFFAOYSA-N 356.516 5.467 0 1 FKAF CCCCC=CCC=CCCCCCCCCc1cccc(O)c1C(=O)O 2356421907 YUWIWHLZEVCYFN-UHFFFAOYSA-N 372.549 7.056 0 1 FKAF Fc1cc(F)cc(Sc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1 2382259912 PWKWAKJEHNCJDL-GQCTYLIASA-N 365.408 5.558 0 1 FKAF O[C@@H](c1ccccc1)c1nc(/C=C/c2ccc(C(F)(F)F)cc2)cs1 61926526 BJMCEDJUPVGYEE-YRYLYKBFSA-N 361.388 5.414 0 3 FKAF CC(C)c1ccc(/N=c2\[nH]ccc3[nH]c(-c4cccc(C(C)C)c4)nc23)cc1 74386483 YCXTXRWPKJMQRL-UHFFFAOYSA-N 370.500 6.037 0 3 FKAF CC(C)(C)OC(=O)N1CCC(n2c3ccccc3c3ccccc32)CC1 209757682 QLCDCRRDTDFFLX-UHFFFAOYSA-N 350.462 5.367 0 3 FKAF COc1cccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)n1 3820092 CZIPJQLAWABIFL-UHFFFAOYSA-N 350.809 5.031 0 1 FKAF CCCC/C=C/[C@H](c1ccccc1)[C@H](CO)Cc1ccc2ccccc2c1 13828797 VTXXCTKGJOGIJC-WFQOKMFZSA-N 358.525 6.521 0 1 FKAF CCN(Cc1ccccc1)Cc1cc(-c2ccccc2)c2ccccc2n1 13862489 JQBZJKOBGCSJBZ-UHFFFAOYSA-N 352.481 5.924 0 1 FKAF CCCCC[C@H](OC)c1cccc(OCc2cccc(C(=O)OC)c2)c1 25990064 SIYNIKOWVCLNFU-NRFANRHFSA-N 356.462 5.320 0 1 FKAF CCCCN(CC)c1cc(C)nc2c1c(C)cn2-c1c(C)cc(C)cc1C 27188175 HVMIOVGCRLODMA-UHFFFAOYSA-N 363.549 6.194 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCc4cocc4[C@@]3(C)[C@H](O)C[C@H]21 32298751 UDGNYLDZHGKWLT-XTKXXMFCSA-N 370.577 6.113 0 1 FKAF Fc1cccc(Cl)c1-c1cnc(-c2ccc(Br)cc2)[nH]1 64560836 QJJUMTXOSQZNMB-UHFFFAOYSA-N 351.606 5.299 0 1 FKAF Cc1cccc(C)c1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-] 73160477 OYTNRUXGIFGYKR-UHFFFAOYSA-N 362.379 5.097 0 1 FKAF CC[C@H]1C[C@@]23C[C@@H]2C2=C[C@]4(C=CC=C2[C@]3(C)CC1=O)CC[C@H](NC)C4(C)C 85643577 DAQJYUCPSHWKIR-RCOKLKMLSA-N 365.561 5.219 0 1 FKAF Clc1ccc(Nc2ccccc2/N=c2/ssnc2Cl)cc1 100404633 GYYBWSQDRQHHRP-NBVRZTHBSA-N 354.287 5.487 0 1 FKAF CC[C@H]1OCCC[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586910691 JJNKVJVJXULDBE-BXKDBHETSA-N 366.305 5.273 0 1 FKAF FC1(F)Oc2cc3nc(-c4cccc(-c5ccsc5)c4)[nH]c3cc2O1 587024753 BOELJYGNFOPELB-UHFFFAOYSA-N 356.353 5.280 0 1 FKAF Clc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2cn1 587063679 RWOGCEUUUDCDOE-UHFFFAOYSA-N 370.239 5.511 0 1 FKAF CCCc1c(-c2ccccn2)nc2cccc3c2c1-c1ccccc1C3=O 587107258 QGNBSHIJSXSZLL-UHFFFAOYSA-N 350.421 5.461 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587162493 BUJXZZCORIPEPV-UHFFFAOYSA-N 363.244 6.404 0 1 FKAF CC(=O)c1ccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2c1 587240407 DDWXUMHIKWSWBC-UHFFFAOYSA-N 370.456 5.375 0 1 FKAF Cc1cccc2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355102 SOFULDFTFVHSDU-VWNXMTODSA-N 374.411 5.040 0 1 FKAF CC[C@H]1C[C@H](C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587366925 OJRVTGCBYJWTKD-HOTGVXAUSA-N 371.480 6.733 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3Cl)o1)O2 587379948 YVFKBELRLQFNQR-IBGZPJMESA-N 353.805 5.197 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CCC)([C@H]1CCOC(C)(C)C1)CC2=O 587481954 NVCLMMMFXYWCTG-OYHNWAKOSA-N 360.494 5.054 0 1 FKAF CC(C)=CCC[C@@H](C)C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601758 HASALYPFBNNQBD-CZAAIQMYSA-N 366.457 5.495 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3F)c(C)c2c1 587642266 MBBBYZUOAFYUIW-NSHDSACASA-N 360.270 6.558 0 1 FKAF Cc1ccc([C@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587814796 IZCVBHLZYIHFIM-RNODOKPDSA-N 374.297 5.084 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCC(C)C 587863896 DIMUFPCSNHHSAR-UHFFFAOYSA-N 354.372 5.044 0 1 FKAF O=C1CCC(c2ccccc2)(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1 587971006 QJWDYVLQAGPGNJ-UHFFFAOYSA-N 358.363 5.011 0 1 FKAF Oc1cccc(-c2cc(-c3cccs3)cc(-c3ccc(Cl)cc3)n2)c1 653731235 QPRBVOVNEOOBRO-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4nc5ccccc5s4)cc32)[nH]1 653758384 QMCDPTDWTXEGRK-WJDWOHSUSA-N 371.465 5.401 0 1 FKAF Clc1ccc(-c2n[nH]c(=Nc3cccc(Cl)c3)c3ccccc23)cc1 1857559570 WBUNPAJPVKDVSK-UHFFFAOYSA-N 366.251 5.769 0 1 FKAF CC[C@@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]32)C1 2356320236 ORZBNFZTRWEXII-SSUBDLMHSA-N 360.538 5.310 0 1 FKAF CC1(C)CCC(C)(C)c2cc(Oc3ccc4cc(C(=O)O)ccc4c3)ccc21 1891456 OABKFPKZLVSWCI-UHFFFAOYSA-N 374.480 6.679 0 1 FKAF C/C(=C\c1ccc(C(=O)O)s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 13742307 QPAMXNZWXFZISY-SDNWHVSQSA-N 368.542 6.664 0 1 FKAF CCCCCCC(=O)CCCCCCCCCCC(=O)N1CCCC1 14619888 SGGSVIZFYOSMRF-UHFFFAOYSA-N 351.575 6.049 0 1 FKAF biogenic CN(C)c1ccc(-c2cc(-c3ccc4ccccc4c3)ccc2C=O)cc1 40975577 YMICRYRUJSHUIH-UHFFFAOYSA-N 351.449 6.052 0 1 FKAF C[C@H]1CC=C[C@@]2(CCC[C@H]3[C@@H]2CCC[C@@H]3Cc2cc(O)cc(CCO)c2)C1 85543606 HCZIZZTYUPOQQP-UCQRFAGFSA-N 368.561 5.658 0 1 FKAF biogenic,in-vitro COc1cc(/C=C/c2ccc(C)cc2)c(-c2ccccc2)c(OC)c1OC 95593094 PBZOOBPAEMNBFN-CCEZHUSRSA-N 360.453 5.858 0 1 FKAF CCOc1ccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1 103523390 OTAAQKCWSSLKJP-QFIPXVFZSA-N 362.473 5.957 0 1 FKAF CC1(C)CC2=Nc3[nH]nc(-c4ccccc4)c3[C@@H](c3ccccc3)C2=C(O)C1 103536228 DOLFHIKJPFGTII-IBGZPJMESA-N 369.468 5.927 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](F)CC[C@@]43C)[C@@H]1CC=C2c1cncc(F)c1 141099111 JTENITBMRQBARH-IRMBCWQZSA-N 369.499 6.515 0 1 FKAF Cc1ccc2c(c1)CCCN2C(=O)c1sc2ccc(F)cc2c1Cl 144710973 NTTRFGLDUDLHFM-UHFFFAOYSA-N 359.853 5.595 0 1 FKAF COc1c(CC=C(C)C)cc(C(=O)O)cc1C/C=C(\C)[C@H](O)CC=C(C)C 206010541 ORQPUUZRMCIOGB-DDPFVEHASA-N 372.505 5.108 0 1 FKAF O[C@H](CCCN1[C@H]2CC[C@H]1CC(c1ccccc1)C2)c1ccc(F)cc1 253640419 MMDFRNFDFSNOJN-RJGXRXQPSA-N 353.481 5.050 0 1 FKAF O=C(Nc1ncc(CC2CCCCC2)s1)C12CC3CC(CC(C3)C1)C2 299868467 RKVVFMUGRBQLEB-UHFFFAOYSA-N 358.551 5.421 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(Cl)cc(C)c4[nH]3)c2)cc1 586881101 SIBNGFOZYMQKDZ-UHFFFAOYSA-N 360.844 6.061 0 1 FKAF Clc1cc(Br)cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586883968 FOBCIRRZNXKNKW-SCLBCKFNSA-N 373.681 5.350 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587061727 IXKPWXCAZDDSLR-CQSZACIVSA-N 372.749 5.904 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(O)cc2[nH]1 587071428 KRHQTUURSOCMAP-IXMVKTJZSA-N 373.283 5.941 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587158987 ULENKFRNXZHJRT-UHFFFAOYSA-N 372.443 6.146 0 1 FKAF CCCC[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587356649 QWCFDCJLTKJTKC-XORNHQRDSA-N 368.448 5.619 0 1 FKAF Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587378724 WHKIJYZZRJOYGT-CTNGQTDRSA-N 368.429 5.176 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1C1CCCCC1)CC2=O 587479448 IHDKIRJMHWFLFB-CVDCTZTESA-N 356.506 5.819 0 1 FKAF CC(C)CCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587520572 FOBRTYMUDNXEDV-HSZRJFAPSA-N 364.485 5.697 0 1 FKAF COc1ccc2c(c1)C(C)(C)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522785 HSSFXZUXIQVFCV-DEOSSOPVSA-N 362.469 5.116 0 1 FKAF CC(C)[C@H](c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602092 IURSHLCUELJNMY-PQNGQFLHSA-N 374.436 5.162 0 1 FKAF Cc1oc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615798 HNOBDYGUCGFFNO-REWPJTCUSA-N 372.376 5.150 0 1 FKAF Fc1ccc2c(-n3c(Cl)nc4ccccc43)c(-c3ccccc3)[nH]c2c1 587633950 PVDDHHPQRAJVGD-UHFFFAOYSA-N 361.807 5.966 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccc(F)c(F)c3)c2c1 587642713 PNHVMMAPLMUWQN-HNNXBMFYSA-N 361.435 7.294 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(F)cc2)N1 587728267 AHLADZLPFVEPEV-HBRSOCQSSA-N 364.233 5.016 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]3CCCC[C@@H]32)N1 587816545 ABYWZBHHURUGGD-BFDPJXHCSA-N 366.318 5.308 0 1 FKAF Cc1ccncc1C1=CC=C2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 1772639176 NKUZBGADMLLMCT-HOZDBICESA-N 363.545 5.707 0 1 FKAF CC(C)=CCOc1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 1772642848 LWCCMDACYCSUGD-UHFFFAOYSA-N 364.367 5.694 0 1 FKAF COc1ccc(F)c(-c2cnc(Cl)n2-c2ccc(Cl)cc2)c1F 1772651625 CYOCDHNHDOUTSJ-UHFFFAOYSA-N 355.171 5.133 0 1 FKAF CC[P@](=O)(OC)c1ccc2oc(-c3ccccc3C(F)F)nc2c1 2382234817 AYRRROFEAUCZNQ-DEOSSOPVSA-N 351.289 5.002 0 1 FKAF S=C1SCCN1Cc1ccc(Oc2ccc(C3CCCC3)cc2)cc1 12341142 TYTNXNOMIRQGHK-UHFFFAOYSA-N 369.555 5.970 0 1 FKAF COc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCC4)nc23)cc1 13704508 YJOOJLDFTONSNI-UHFFFAOYSA-N 358.445 5.521 0 1 FKAF CO/C=C(/C(=O)OC)c1ccccc1/C=C/C=C/c1ccccc1Cl 27648779 FEGVVFJNYVPDHG-HCZSNGKYSA-N 354.833 5.227 0 1 FKAF CCCCC1CCN(c2ccc(N)cc2C(=O)c2ccc(Cl)cc2)CC1 29336193 POHLDIVFYPCBRP-UHFFFAOYSA-N 370.924 5.560 0 1 FKAF COc1ccccc1[C@@H]1CC(c2cccc(O)c2)=Nc2ccccc2S1 40973771 PVYNAGGLIAVILG-QFIPXVFZSA-N 361.466 5.759 0 1 FKAF CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2)c1 43069461 QFVLIKLKPJSXTI-UHFFFAOYSA-N 363.505 5.167 0 1 FKAF CC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)NC(C)C 66074866 IAWCXTZGAPEZON-VEWWNFFNSA-N 355.566 6.599 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccccc2)C[C@H](c2ccccc2)C1 103919104 QKLLXZDEIMQZJW-UQBPGWFLSA-N 366.464 6.316 0 1 FKAF Cc1ccc(C(F)(F)F)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144380948 KTSGZASQBRUMLP-UHFFFAOYSA-N 370.374 5.578 0 1 FKAF CC(C)(C)OC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)cs2)C1 166083867 QDTSHUMWFAJWAW-AWEZNQCLSA-N 362.470 5.064 0 1 FKAF 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@@]12C 299805752 AZFLHSKQKSZOET-OCTYNESTSA-N 374.565 5.283 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)cc1 586879509 GKTOWUDROPAIAW-UHFFFAOYSA-N 363.420 5.648 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586898715 LWUDSCFIJVGHBO-UHFFFAOYSA-N 355.224 5.909 0 1 FKAF O=C1c2ccccc2-c2cc(C3CCC(F)(F)CC3)nc3ccc(O)c1c23 586987615 ZXTVCUZGTHUJNP-UHFFFAOYSA-N 365.379 5.445 0 1 FKAF CCCc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586994160 NYUDIBKXGLXORS-UHFFFAOYSA-N 371.461 5.833 0 1 FKAF FC(F)(F)Sc1ccc2[nH]c(-c3ccc(Br)o3)nc2c1 587007371 JKMREPGPOKLNDV-UHFFFAOYSA-N 363.158 5.197 0 1 FKAF COc1cc(-c2nc3c(C)ccc(C)c3[nH]2)cc(Cl)c1OCC(C)C 587046142 LCTOYOOMGLBIPM-UHFFFAOYSA-N 358.869 5.544 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cccc(C(=O)O)c2[nH]1 587073369 DASOIYMLPMYHAO-UHFFFAOYSA-N 362.816 5.557 0 1 FKAF Fc1cncc(Cl)c1Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 587175838 ILHMCEBLBCQSND-UHFFFAOYSA-N 353.784 5.134 0 1 FKAF C[C@H](CCCC(C)(C)O)c1cnc2cccc3c2c1-c1ccccc1C3=O 587206427 KSAGARUITNJMFY-OAHLLOKOSA-N 359.469 5.491 0 1 FKAF Cc1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Cl 587226031 OEJYYPJZBNYFIL-INIZCTEOSA-N 363.889 5.281 0 1 FKAF CCCc1c(O)ccc2c1OC(C1CCCCC1)(C1CCCCC1)CC2=O 587478159 BJMIORWDCGPJPK-UHFFFAOYSA-N 370.533 6.209 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(C)(C)C)cc1)CC2=O 587478181 BJTFAMXKTZZBTN-QHCPKHFHSA-N 352.474 5.523 0 1 FKAF Cc1cc(C)n(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1 587516472 UBYYRMXGNCXABT-QHCPKHFHSA-N 372.468 5.074 0 1 FKAF O=C1C[C@@H](c2csc(Br)c2)Oc2c1ccc1c2CCCC1 587530995 HTQQZXSGMCXTLA-HNNXBMFYSA-N 363.276 5.096 0 1 FKAF COc1cc(C)ccc1OCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587564553 VXFJHMHRXOSBHC-UHFFFAOYSA-N 370.758 5.131 0 1 FKAF C[C@@]1(c2coc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616863 MWBYISIAKRBWKG-OFNKIYASSA-N 372.376 5.015 0 1 FKAF CC(C)=CCC[C@H](C)C[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821024 SGPWAVAIHZAOOR-KSMMKXTCSA-N 368.334 5.936 0 1 FKAF Cc1ccc(/C=C\[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587821935 YWUNRMJCQUNNHL-JGIHTYNFSA-N 360.270 5.185 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(OCCN(C)C)cc3)n2)cc1 587924504 AVVRXAUYYPIPEB-UHFFFAOYSA-N 370.543 5.139 0 1 FKAF c1ccc2c(c1)CCc1cc(Cn3c4ccccc4c4ccccc43)ccc1N2 653818500 AHNXBJZDQOBFDK-UHFFFAOYSA-N 374.487 6.685 0 1 FKAF COc1cc2c(cc1OC)[C@@](CC(C)C)(c1ccccc1C)N(C)[C@@H](C)C2 962559502 BZIYQKLSYXVEAN-MHECFPHRSA-N 367.533 5.178 0 1 FKAF COc1ccc2c(c1OC)[C@H]([C@H](C)[C@H](C)CCC=C(C)C)N(C)[C@@H](C)C2 962616665 AMCUJBRTIRNFGA-FOUBCARRSA-N 359.554 5.640 0 1 FKAF CCCCCC[C@]1(c2ccccn2)c2ccc(F)cc2C[C@@H]2CCCN21 963100590 KFKKQFUVJFYBBR-NZQKXSOJSA-N 352.497 5.455 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccc(C)cc1)c1ncccc1C 963243876 TZXYBTSKPGYFMB-LVXARBLLSA-N 370.540 5.647 0 1 FKAF c1ccc(Nc2ccnc3cc(-c4cnn(C5CCOCC5)c4)ccc23)cc1 1772631723 FQZFQKGFQOQMPX-UHFFFAOYSA-N 370.456 5.193 0 1 FKAF CCc1cccc(Nc2nc3ccccc3nc2Nc2cccc(CC)c2)c1 1857546710 MORQWYIDVINSAJ-UHFFFAOYSA-N 368.484 6.242 0 1 FKAF C[C@]12CCC(=C3C=CC=C3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(C)O 2356344922 SIECXYXJFIDLDH-JYIWJRGISA-N 352.562 6.203 0 1 FKAF CC1=C2C[C@H](O)[C@H](C)[C@@H]2[C@H](O)[C@]2(C)CC[C@]3(C)CCC(C)(C)C[C@H]3[C@@H]2CC1 2356528751 GPHBRZAMTODMIC-KNUAHOKBSA-N 374.609 5.723 0 1 FKAF CC(C)Cc1ccc([C@@H](C)C(=O)NCc2c(Cl)cccc2Cl)cc1 2382223682 ARIICVGTQHFGGZ-CQSZACIVSA-N 364.316 5.612 0 1 FKAF CCCC[C@H](C)C1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1 14978539 XQYQZKJQEBBBBS-HXAGEGRHSA-N 359.557 7.321 0 1 FKAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C(C)C)cc1 28222015 AOGDBWZSNBROMQ-UHFFFAOYSA-N 374.506 5.600 0 1 FKAF c1ccc(-c2nc(-c3ccc(OCCCN4CCCC4)cc3)cs2)cc1 29479123 GPXYLIURGLLSSV-UHFFFAOYSA-N 364.514 5.342 0 1 FKAF COc1ccc(/C=C2\C[C@H](c3ccc(O)cc3)Oc3cc(OC)ccc32)cc1 40576700 GNMNJXPBJUSUFQ-PZSRYKBRSA-N 374.436 5.474 0 1 FKAF CCCO[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H](OC(C)(C)C)n1ccnc1 45390757 QQILTWWBPOTEJI-DLBZAZTESA-N 371.308 5.672 0 1 FKAF CC(C)c1ccc(NCc2coc(-c3ccccc3Br)n2)cc1 72182480 NJWFWWYVHHMPKL-UHFFFAOYSA-N 371.278 5.840 0 1 FKAF CCC(CC)c1nc2c(NCc3cccs3)ncnc2n1C[C@H](C)CC 82178908 MNJAVBCPFXKORI-CQSZACIVSA-N 371.554 5.450 0 1 FKAF C[C@H](OC(=O)Nc1c(-c2ccccc2)cnn1C)c1ccccc1Cl 95579879 SVHXRVCXCDHNAL-ZDUSSCGKSA-N 355.825 5.050 0 1 FKAF Fc1c(Br)cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1F 586884125 OAZVEGVUEKXPIN-DSEUGIAESA-N 367.237 5.071 0 1 FKAF COc1c(C)cccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990272 BWUQVFRPPDLVSG-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)s1 587013773 CDLBBSWGCHFYJU-MRVPVSSYSA-N 373.375 5.250 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2cccc(C(C)(C)C)c2[nH]1 587066030 GHPCFOLLLFNWCU-UHFFFAOYSA-N 356.897 5.834 0 1 FKAF COc1ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(C(F)(F)F)c1 587095706 RRBYERUYYASYDH-UHFFFAOYSA-N 360.257 5.276 0 1 FKAF O=C1c2ccccc2-c2cc(Cc3ccccc3Cl)nc3cccc1c23 587103705 JXYYPOJBMWUDRM-UHFFFAOYSA-N 355.824 5.690 0 1 FKAF Cc1cc(Br)cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 587108656 GTXVBYYZURZPBA-UHFFFAOYSA-N 373.147 5.459 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cncc(Cl)c3[nH]2)c1 587158887 RZBXJERZNWHMLW-UHFFFAOYSA-N 367.811 5.017 0 1 FKAF Cc1c(Br)cc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2c1C 587197265 NHGNTTXEWOBNEM-ZDUSSCGKSA-N 372.310 5.160 0 1 FKAF COc1ccc(NC(C)(C)c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587201418 MERKPQGUGKHSNF-UHFFFAOYSA-N 373.456 5.711 0 1 FKAF Fc1ccc(F)c(Oc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c1 587210036 BPDPLHZRHVQGKM-UHFFFAOYSA-N 359.375 6.071 0 1 FKAF CC1(C(=O)c2coc3ccc(Cl)cc23)c2ccccc2-c2ccccc21 587275942 IFXPXPDNXGDGAG-UHFFFAOYSA-N 358.824 6.256 0 1 FKAF COc1cccc(-c2c(C)c([C@@H](C)CN(C)C)nc3c2oc2ccccc23)c1 587359832 JANQPRYRZTZUCZ-HNNXBMFYSA-N 374.484 5.630 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccccc3Cl)o1)O2 587376980 FGWKDRNFSWASLN-OAQYLSRUSA-N 367.832 5.371 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4F)s1)[C@@H](C2)C3=O 587426426 NMSYEAYPELPWJG-LHSJRXKWSA-N 366.413 5.052 0 1 FKAF C[C@]1(c2ccc(SC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587509117 WFCBSERAHUIOEY-OAQYLSRUSA-N 374.452 5.761 0 1 FKAF CCc1ccc(-c2c[nH]nc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525467 NKNAMRWIOVWFCE-JOCHJYFZSA-N 372.468 5.224 0 1 FKAF Cc1cccc(Cl)c1NC(=O)c1c(C)[nH]c2cc(Cl)c(F)cc12 587628903 UJVRRWZIESNMOY-UHFFFAOYSA-N 351.208 5.483 0 1 FKAF CC1=CC(C)(C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587819628 WFEBDPKAHDIUAX-SGTLLEGYSA-N 352.291 5.084 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccccc3o2)N1 587827286 JJCTVPRZJRAVKL-NSPYISDASA-N 374.253 5.132 0 1 FKAF C[C@@H](Cc1nc(-c2cc(F)ccc2F)cs1)n1ccc(C(F)(F)F)n1 587921649 NUJIPFJVMMHSIL-VIFPVBQESA-N 373.350 5.107 0 1 FKAF COc1ccc(C2(c3nc4cc(C)c(Cl)cc4[nH]3)CC3(CCC3)C2)cc1 587938368 VSYYSGZQMMUQFW-UHFFFAOYSA-N 366.892 5.784 0 1 FKAF CCOc1ccc(OCC)n1-c1cc(OC(C)C)c(Cl)cc1Cl 587942998 HAFRXTYCFPBFLN-UHFFFAOYSA-N 358.265 5.369 0 1 FKAF CC[C@]1(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)CC(=O)c2ccccc2C1 587962748 ZYDXSNZDJSUSBA-LJQANCHMSA-N 374.271 5.033 0 1 FKAF CCCCCC1=CC[C@]2(C)[C@@]3(CC[C@@H](C)[C@@]24CCC(C)=C4C3)[C@H]1N1CC1 2356355734 VZAPAZLMTOYKEU-BHEUDDMMSA-N 353.594 6.504 0 1 FKAF 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@]12C 2356557193 FEGCPHIPSRBREU-YMBIMESLSA-N 374.565 5.283 0 1 FKAF C[C@@H]1CCC[C@]2(O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 2356741415 JWJBVPQUZFTTKO-VHAFVYRPSA-N 358.566 5.087 0 1 FKAF CC[C@@H](C)c1nc2ccsc2c(N2CCOC2=O)c1-c1ccccc1 12477741 USCNRXIGFDMTBY-CYBMUJFWSA-N 352.459 5.433 0 3 FKAF CC1=C(/C=C/c2cc(Nc3ccc(Cl)cc3)nc(N)n2)C(C)(C)CCC1 28712588 DKZLTLGNOMEVAE-ZHACJKMWSA-N 368.912 5.996 0 1 FKAF O=C1Cn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccccc2N1 35931384 YVPUSKFBJNVTFX-UHFFFAOYSA-N 374.440 5.006 0 1 FKAF CC(C)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)c2ccc(O)c(C(C)C)c2O1 40392687 DQQSNOMAPLESJP-SFYKDHMMSA-N 360.538 6.133 0 1 FKAF biogenic c1cc(CN2CCCCC2)cc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 45195654 RYCSHOBLDALYDM-UHFFFAOYSA-N 367.496 5.883 0 1 FKAF CC(C)[C@H](C(=O)Nc1nc(C(F)(F)F)cs1)c1ccc(Cl)cc1 45391844 RTWOWGQAYVAQPB-LBPRGKRZSA-N 362.804 5.194 0 1 FKAF Nc1ccccc1SCc1cc(Br)cc(Br)c1 71333194 RWIXWYPEIVPUDP-UHFFFAOYSA-N 373.113 5.086 0 1 FKAF CC[C@H](C)Cn1c(C(C)C)nc2c(NCCCc3ccccc3)ncnc21 82180038 VPPXLNOJSSVQKD-KRWDZBQOSA-N 365.525 5.041 0 1 FKAF CCCCCc1cc(OC)c2cc(Cc3ccc(F)cc3)c(=O)oc2c1 96270888 TTZOJUSYSHPFJJ-UHFFFAOYSA-N 354.421 5.264 0 1 FKAF S=c1[nH]nc(Cc2ccc(Cl)cc2Oc2ccccc2Cl)[nH]1 103263249 QCGMRGYWHAXENF-UHFFFAOYSA-N 352.246 5.157 0 1 FKAF CC/C=C/CCSC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169343962 YDJGESKTURUXSO-NZHSHSJCSA-N 352.540 5.071 0 1 FKAF CC(C)Oc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(OC(C)C)c1 169346118 VZQFGBFUSPRCBB-GIJQJNRQSA-N 371.864 5.407 0 1 FKAF Cc1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2n1 587073901 QLBANRAQYRWZCV-CYVLTUHYSA-N 373.887 6.093 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc4cc(F)ccc4[nH]3)nc3cccc1c23 587104931 XJAWZAODNHDUDK-UHFFFAOYSA-N 364.379 5.734 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3ncccc3C(F)(F)F)nc2c1 587109546 XZBVFYAMNBWSCK-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370718 AWOKAZCGIDIMKD-FPOVZHCZSA-N 368.429 5.257 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCSc3ccc(C)cc31)CC2=O 587494200 JDNXESVQCKEYFO-OAQYLSRUSA-N 354.471 5.010 0 1 FKAF Cc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1C(F)(F)F 587504862 GRSRQAXFMQYONZ-OAQYLSRUSA-N 374.402 5.773 0 1 FKAF O=C1C[C@@H](c2cccc3c2oc2ccccc23)Oc2c1ccc1c2CCCC1 587536220 SEBNMNLYEYHWEU-QHCPKHFHSA-N 368.432 6.171 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccccc2F)N1 587731753 ZLOXLLRFCMWYBA-AUODDHCQSA-N 364.233 5.016 0 1 FKAF FC(F)(F)Sc1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 587780925 MCQBYNZYKMZVGT-DAXSKMNVSA-N 364.392 5.405 0 1 FKAF CC/C(=C\c1nc2c(F)cnc(Br)c2[nH]1)c1ccc(C)cc1 587968531 UHDDSQDNXPNCEB-DHZHZOJOSA-N 360.230 5.119 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(Cc1ccccc1)C(F)(F)Cl 963108690 XXKOHLHDIIZRQD-MJGOQNOKSA-N 365.826 5.116 0 1 FKAF CC[C@@H](C)[C@H](O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCc1ccccc1 1772599479 FWGHIWBTCJDHCU-PEBXRYMYSA-N 365.473 5.039 0 1 FKAF CC[C@@]12C=C(C=Cc3ccccc3)[C@@](CC)(C1)[C@H](c1ccccc1)CC2=O 1857622757 NLQQTNRSVHYIMW-SKBVVQJISA-N 356.509 6.579 0 1 FKAF CC(=O)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4C(C)(C)C(O)=CC[C@]4(C)[C@H]3CC[C@]12C 2356366217 CDRZQEYAKWRWRP-PWWFALJXSA-N 356.550 6.232 0 1 FKAF CC(=CC[C@@H]1CNc2ccccc21)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356530586 GDIXRZCZAAMRNS-DENIHFKCSA-N 357.538 5.171 0 1 FKAF Cc1cc(O)c([C@]2(C)CCC(=CBr)[C@H]2C)cc1Br 2356603568 DVSNCQPMSPUOAI-MEBBXXQBSA-N 374.116 5.430 0 1 FKAF CC(C)CCOc1cc(C(=O)NCCc2ccccc2)cc2ccccc12 2382241751 MLRGRFQAIDUOIM-UHFFFAOYSA-N 361.485 5.237 0 1 FKAF CCN(CC)C(C)(C)CNc1cc(-c2ccccc2)c(-c2ccccc2)nn1 2014043 SFUQGDZOLMVMOP-UHFFFAOYSA-N 374.532 5.343 0 1 FKAF Cc1cc(CCCOc2c(C)cc(-c3ccc(N(C)C)cc3)cc2C)on1 3590517 USAFZFPFFJBHGT-UHFFFAOYSA-N 364.489 5.344 0 1 FKAF Cc1noc(C)c1-c1ccc2ncnc(N[C@@H]3CCCc4ccccc43)c2c1 13828597 QTOXZTTWEGOZBI-OAQYLSRUSA-N 370.456 5.391 0 1 FKAF CC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)c(F)cc3Cl)cn12 14961225 DZOYLKSNBWXBCB-UHFFFAOYSA-N 374.778 5.106 0 1 FKAF CC[C@@H](C)C(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2ccoc12 15122202 JAUBTGXMJPQEII-GFCCVEGCSA-N 362.381 5.141 0 1 FKAF biogenic CCCCC[C@@](C)(O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@@H]1C2 27558176 ZVXFCSQGGXYOEG-FMFDIHKVSA-N 362.554 5.737 0 1 FKAF CCCCOc1cc(N(CC)c2ccc(C(=O)O)cn2)ccc1C(C)C 66112569 OXMXBFYUIPKYSJ-UHFFFAOYSA-N 356.466 5.240 0 1 FKAF CCc1cc(=O)c2ccc(OCc3cccc(C(F)(F)F)c3)c(C)c2o1 73197402 NYHPHXYTFJPPDY-UHFFFAOYSA-N 362.347 5.262 0 1 FKAF Fc1ccc(NC(=S)Nc2nc3c(ccc4ccccc43)s2)cc1 103293704 HDFZLFPVAQHBPU-UHFFFAOYSA-N 353.447 5.398 0 1 FKAF CC1(C)OC[C@H]([C@]2(C)C=C3CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]3CC2)O1 138438048 FJZIWOWYBFGDBI-WYIZHRONSA-N 362.554 5.078 0 1 FKAF C[C@@H](N[C@@H]1CC[C@H](c2ccc(C(=O)O)cc2)C1)c1cccc2ccccc12 145541674 RVOJEPPTKATVSU-TYCQWZJGSA-N 359.469 5.525 0 1 FKAF NC1=NC[C@@H](C23C[C@H]4C[C@@H](CC(C5CCCC5)(C4)C2)C3)N1C1CCCCC1 169325439 IEZABFUTLUYFIN-ULZWPUQSSA-N 369.597 5.095 0 1 FKAF C=C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1sc(NC#N)nc1O 169714358 SBZJTXJNRMKDSO-UHFFFAOYSA-N 371.506 5.104 0 1 FKAF CCC/C=C/CSC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253883986 QXBFRDGMYMBQMJ-DHBFDMHPSA-N 352.540 5.071 0 1 FKAF CC1(C)[C@H]2CC[C@@H](CNc3cc(Oc4cccc(Cl)c4)ncn3)[C@H]1C2 299876713 GDUAEVNDYXEOBP-GRDNDAEWSA-N 357.885 5.407 0 1 FKAF C=Cc1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 586879996 ATQPGDVXWNBBNH-UHFFFAOYSA-N 367.168 5.654 0 1 FKAF Cc1ccc(F)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586985797 GJXGXWIZTHAHPR-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)s1 587014643 OBKGECPUCPVHDY-MRVPVSSYSA-N 356.278 5.399 0 1 FKAF Fc1cc2[nH]c(-c3cccc(-c4ccsc4)c3)nc2cc1-n1cccn1 587025924 PNGLSUKZUIUBCN-UHFFFAOYSA-N 360.417 5.283 0 1 FKAF Cc1ccc(-c2cc(-c3nc4cnccc4[nH]3)c3cccc(Cl)c3n2)o1 587082676 AVOBONXDRABVFM-UHFFFAOYSA-N 360.804 5.395 0 1 FKAF Cc1ccc2c3c(cc(-c4coc(C5CC5)n4)nc13)-c1ccccc1C2=O 587099036 YPWRMSDAOQODBQ-UHFFFAOYSA-N 352.393 5.287 0 1 FKAF CC(C)(C)c1cccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587150482 RQJBTSGFGWVILX-OAQYLSRUSA-N 373.475 6.201 0 1 FKAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587168979 PGRMOQRCVVEWRH-HNNXBMFYSA-N 362.404 5.421 0 1 FKAF Cc1cc(Cl)cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587204809 LRUDECLSUJPLPF-CQSZACIVSA-N 365.905 5.007 0 1 FKAF COc1cccc(-c2cc(C3(O)CCCCC3)nc3c2oc2ccccc23)c1 587365290 FPCADJKUECNKLC-UHFFFAOYSA-N 373.452 5.808 0 1 FKAF COc1cc2c3c(c1)O[C@@](CCC(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587420015 GGTWCQQHOZARIA-AVRDEDQJSA-N 370.876 5.428 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)s1)(C(C)C)CC2=O 587495352 QHCVTGSJVFFUEX-IBGZPJMESA-N 364.894 5.576 0 1 FKAF O=C1C[C@H](c2cc(Cl)c(O)cc2Cl)Oc2c1ccc1c2CCCC1 587502704 DPOOKMHCXDJROL-GOSISDBHSA-N 363.240 5.284 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccncc3)cc2F)Oc2c1ccc1c2CCCC1 587507807 TUVDOVBLMCNRLD-HSZRJFAPSA-N 373.427 5.473 0 1 FKAF Cc1c(-c2cc(Br)ccc2O)[nH]c2cc(Cl)c(F)cc12 587628986 XEXRQVTZTKPWOV-UHFFFAOYSA-N 354.606 5.404 0 1 FKAF COc1cccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587783678 FBALZNQELDBSPG-QINSGFPZSA-N 356.425 5.321 0 1 FKAF Clc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cc1Cl 587961538 LPAMYBJIAPKAKA-UHFFFAOYSA-N 353.252 6.128 0 1 FKAF Cc1c(Br)cnc2[nH]c(/C=C/c3cccc4ccccc34)nc12 587969747 WAPDMYBGMALIEW-MDZDMXLPSA-N 364.246 5.352 0 1 FKAF OCc1cnc2c(c1)c1ccccc1n2Cc1ccc(Cl)c(Cl)c1 653709038 NIEDRXAJLLBHRG-UHFFFAOYSA-N 357.240 5.037 0 1 FKAF Oc1cccc(-c2cc(-c3cccs3)cc(-c3ccccc3Cl)n2)c1 653731262 UFNKKQXWVLZUFH-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2)nc2c1Cc1c(O)cccc1-2 1857620851 SGTOAUVTGRWTTJ-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF Cc1ccc2oc(-c3cccc(NC(=S)Nc4ccccc4)c3)nc2c1 1857656742 CICRQNPYOCTVDI-UHFFFAOYSA-N 359.454 5.612 0 1 FKAF CC(=CCC[C@H](C)[C@@H]1CC[C@]2(C)CC=C(C)CCC=C(C)[C@H](O)C[C@H]12)CO 2356649106 ZWOMTRLSJCLHBD-GWVYKECKSA-N 374.609 6.201 0 1 FKAF Cn1c(-c2cccc(F)c2)nc2cnc(-c3cccc(C(F)(F)F)c3)cc21 205214838 PGXNIZQNGMWOAJ-UHFFFAOYSA-N 371.337 5.460 0 3 FKAF C=CC[C@]1(C#N)C(=S)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccccc1 783183 WFWLVRWYFJLEGN-WIYYLYMNSA-N 350.487 5.270 0 1 FKAF Clc1ccc(C(OCCN2CCCCC2)c2ccc(Cl)cc2)cc1 13729532 VDOXLGAGVUOGDZ-UHFFFAOYSA-N 364.316 5.585 0 1 FKAF Cc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1 14975379 DLYHIJZSZUMFEL-UHFFFAOYSA-N 358.401 5.029 0 1 FKAF CC(C)c1cccc2ccc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc12 27718750 XKGIXZNDGKZJBI-UHFFFAOYSA-N 355.437 6.324 0 1 FKAF CC[C@H]1CCC[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 40373622 KAOWEHFUQIEFQN-QODFHFCMSA-N 353.550 5.190 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H]1C[C@H]1O 40940402 LZHCSJBKBARIFQ-MTVZMXCXSA-N 359.554 5.382 0 1 FKAF in-vivo CC(C)[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 42920119 QZKIXDSVUHUHBH-FQEVSTJZSA-N 353.849 5.535 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2 45194572 VWCCAAYAHYEPAQ-UHFFFAOYSA-N 353.506 6.330 0 1 FKAF CC(C)(C)c1ccc(-c2cnc(Nc3cccc4c3C[C@H](O)CC4)o2)cc1 53297117 XPYZHUCGSARLAB-GOSISDBHSA-N 362.473 5.232 0 1 FKAF CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC(CC)CC 72177944 SJHYFBOIWLBZQD-UHFFFAOYSA-N 366.336 6.176 0 1 FKAF Cc1ccc(-c2c3c(nn2-c2ccncc2)CC(C)(C)CC3=O)cc1Cl 73240755 JZZAWVLRZWYBSO-UHFFFAOYSA-N 365.864 5.051 0 1 FKAF C[C@H](OC(=O)Nc1c(-c2ccccc2F)cnn1C)c1ccccc1Cl 95579917 SSMIBGPOHRVNGJ-LBPRGKRZSA-N 373.815 5.189 0 1 FKAF O=C(O)c1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4)cc3F)nc12 113983637 FMLQMILUGHYCCC-UHFFFAOYSA-N 366.779 5.388 0 1 FKAF Cc1ccc(Nc2cc(Oc3c(C)cc(C)cc3C)n3nccc3n2)cc1 169308823 NLGZHDWJDAMWSI-UHFFFAOYSA-N 358.445 5.499 0 1 FKAF C[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@]1(C)CCN2Cc1ccccc1 169338241 RFIKUGPYXNCFAU-LPTQZCDUSA-N 370.334 5.174 0 1 FKAF CC(C)=CCC/C(C)=C\CC/C(C)=C/COc1ccc2oc(=O)ccc2c1 221612980 JAASWVRGXJPPHR-SGRLLCBQSA-N 366.501 6.591 0 1 FKAF Brc1ccccc1OCCCOc1ccc(-n2cccc2)cc1 473113606 JOQJJLLNRSGZEP-UHFFFAOYSA-N 372.262 5.088 0 1 FKAF CC(C)c1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(O)c(C(C)C)c1 586896001 FXJRVUWKKDEYQF-UHFFFAOYSA-N 363.288 6.489 0 1 FKAF CC(C)(C)[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989819 FPUVNODWQRJEDC-INIZCTEOSA-N 357.453 5.618 0 1 FKAF CC(C)(C)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587015678 HJASYQFYHYYQAF-UHFFFAOYSA-N 367.905 6.304 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Cl)c(Cl)cc2[nH]1 587061150 BJGSPEKXRYDXKG-CQSZACIVSA-N 355.652 6.053 0 1 FKAF COc1cc(OC)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 587082724 CXKSYCQVPDZTCE-UHFFFAOYSA-N 374.227 5.102 0 1 FKAF Cc1cc(C)c2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)nc2c1 587143811 ARAJHTKZSVCIFC-UHFFFAOYSA-N 374.415 5.659 0 1 FKAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(C)c(C)c3[nH]2)cc1F 587143916 FLNIXGPEUGQNAG-UHFFFAOYSA-N 374.415 5.225 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc12 587158181 GQKSSYQUPRTMNZ-UHFFFAOYSA-N 356.404 5.325 0 1 FKAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587164342 STMLFMXEOUOAPK-HNNXBMFYSA-N 371.765 5.025 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc4c3CCCC4)nc3cccc1c23 587207485 LOVOBJNCHOZULF-UHFFFAOYSA-N 361.444 5.992 0 1 FKAF COc1cccc(-c2c([C@H](C)CC(C)(C)C)cnc3c2oc2ccccc23)c1 587366091 RGCHSFQSUSNHND-MRXNPFEDSA-N 373.496 7.196 0 1 FKAF Cc1csc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587373305 IGZOUXPUJOUSNH-PZJWPPBQSA-N 368.429 5.176 0 1 FKAF CCCCCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399807 KDGATUUHUKXKMH-QFIPXVFZSA-N 353.462 5.027 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC(C)(C)[C@@]34CC[C@@H](C3)C(C)(C)[C@H]41)O2 587410250 ZENKAAPMYZIQPD-KSVBPBMVSA-N 367.533 5.544 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC(C)(C)C)(c1ccc(F)cc1)CC2=O 587466455 LIZDJYKKRXMLMP-QHCPKHFHSA-N 370.464 5.781 0 1 FKAF Cn1c2c(c3ccccc31)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587515339 KSMZDAXXYFBIHX-RUZDIDTESA-N 371.480 5.254 0 1 FKAF O=C1CC(c2ccsc2)(c2ccsc2)Oc2c1ccc1c2CCCC1 587535720 NSNQUEBDWCVDCW-UHFFFAOYSA-N 366.507 5.597 0 1 FKAF Cc1cc(Cl)cc2c(-c3nc4ccccc4n3C)c(-c3ccccc3)[nH]c12 587627317 SFGQRTSXUGDLNP-UHFFFAOYSA-N 371.871 6.350 0 1 FKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cn1ccnc1C 587628431 SPMNOEPJZHZLBX-UHFFFAOYSA-N 361.289 5.067 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCc3ccccc32)N1 587818030 OSJUNILLWQCFJI-RBZFPXEDSA-N 374.297 5.092 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(F)cc1F 587864755 KOZGPNGXQWUFDW-UHFFFAOYSA-N 368.305 5.235 0 1 FKAF Fc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c(F)c1F 587949858 LQVRRWXLHLEDSY-UHFFFAOYSA-N 354.331 5.363 0 1 FKAF Clc1cnc2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1Cl 587955984 MYGRIBQHNMXLSJ-OAHLLOKOSA-N 368.267 5.639 0 1 FKAF COc1ccc2c(c1)nc(-c1ccccc1)c1[nH]cc(Br)c12 1857632242 CMNOVNUDDYWLCM-UHFFFAOYSA-N 353.219 5.154 0 1 FKAF CCC(=O)O[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(O)CC)[C@@H]2CC1 2356646047 ODOMHABFTBNARE-ZEWRUKJJSA-N 360.538 5.022 0 1 FKAF COc1cc(=O)oc(C=CC=C[C@@H]2[C@H](C)[C@]3(C)C=C(C)C=C(C)[C@H]23)c1C 2356718601 AFLXFQMVMOJBCC-RBHHUKDOSA-N 352.474 5.321 0 1 FKAF COc1ccc2c(c1)c1ccc3c(c1n2Cc1ccccc1)C=CC(C)(C)O3 2382221515 DCYQGTWCVFYHSK-UHFFFAOYSA-N 369.464 6.036 0 1 FKAF FC(F)(F)COc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cn1 1035828 QHPWVZLAQCNPNI-UHFFFAOYSA-N 370.783 5.467 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccncc1 13782528 XAAZZZPPMNDFEH-AKGHTDQDSA-N 351.534 5.489 0 1 FKAF Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1CN1CCCCC1 28572592 FBTNOVSEGHBPCQ-UHFFFAOYSA-N 352.261 5.477 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@](O)(C5CCCCC5)CC[C@]34C)[C@@H]1CCC2=O 38331150 OQRFDBKHTMVKBO-ZMTPGRRHSA-N 372.593 5.910 0 1 FKAF Cc1cc(-c2ccc3nc([C@H]4COc5ccccc5C4)sc3c2)ccn1 49033530 FYXCDRPEXQWYKJ-GOSISDBHSA-N 358.466 5.385 0 1 FKAF COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)c2ccccc2)c(OC)c1 71335396 LHSBSVROMKIZDW-XMMPIXPASA-N 372.468 5.411 0 1 FKAF C[C@@H](OC(=O)Nc1c(-c2ccccc2)cnn1C)c1ccccc1Cl 95579880 SVHXRVCXCDHNAL-CYBMUJFWSA-N 355.825 5.050 0 1 FKAF COP(=O)(OC)[C@@H](Nc1ccccc1)c1ccccc1Br 103299991 AFRBZVSLFAUYTN-OAHLLOKOSA-N 370.183 5.046 0 1 FKAF CC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923097 XFQZMLHHLMNCGB-LLQANNADSA-N 362.554 5.102 0 1 FKAF biogenic CC[C@H](C)CCCCCCCCCCCCCCCCCCCCCO 146591262 JQPKCZJYNBKKDM-VWLOTQADSA-N 368.690 8.827 0 1 FKAF in-vitro COc1cccc([C@@H](C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1 205336591 UORPIGXMGDQKTD-OAHLLOKOSA-N 373.456 5.688 0 1 FKAF CC1(C)[C@H]2CC[C@H](CNc3cc(Oc4cccc5ccccc45)ncn3)[C@H]1C2 299881736 ONLLDIMFIZFCOL-WSTZPKSXSA-N 373.500 5.906 0 1 FKAF CCCCC[C@H](O)/C=C\[C@@H]1C[C@H]2C[C@@H](S2)[C@@H]1C/C=C/CCCC(=O)O 328577329 OVGWMUWIRHGGJP-MEMNDMRESA-N 366.567 5.195 0 1 FKAF in-vitro Cc1cc(Cc2nc3cccc(C(C)(C)C)c3[nH]2)ccc1Br 586975406 CCDANMNLLSNGAJ-UHFFFAOYSA-N 357.295 5.522 0 1 FKAF Cc1ccc2c3c(cc([C@H](CC(C)C)CN(C)C)nc13)-c1ccccc1C2=O 586998014 XJISSBGROGRGEW-QGZVFWFLSA-N 372.512 5.446 0 1 FKAF Clc1c(-c2nc3cc4ccccc4cc3[nH]2)ccnc1Br 587007075 LMDZXGLBSGPCIV-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF CSc1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587113680 WTUVPIUKTQAEKQ-UHFFFAOYSA-N 359.376 5.519 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(Cl)cnc3[nH]2)c1 587239348 WDKILFNYOTVOCI-UHFFFAOYSA-N 363.852 5.221 0 1 FKAF COc1cccc(-c2cc(-c3ccncc3O)nc3c2oc2ccccc23)c1 587363435 NHGOUHRCOBHFTL-UHFFFAOYSA-N 368.392 5.424 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(Cl)c1)O2 587378278 NILYBULIZMMMKV-JOCHJYFZSA-N 363.844 5.140 0 1 FKAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1-c1ccccc1 587399164 IXRAHZYHQDRNHR-XMMPIXPASA-N 373.452 5.133 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)c3cccnc13)CC2=O 587459495 CUWCEJNZXUQTDR-LJQANCHMSA-N 367.832 5.253 0 1 FKAF Cc1ccc(OC(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587509795 WRUAENYKWDFNBU-IBGZPJMESA-N 358.384 5.182 0 1 FKAF O=C1C[C@](c2ccccc2)([C@H]2C[C@@H]3C=C[C@H]2C3)Oc2c1ccc1c2CCCC1 587522578 FURCJCRVRVBGBK-QWICHBSHSA-N 370.492 5.638 0 1 FKAF O=C1CC2(CCC(Cc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587527433 VYWWPRISMPVHAR-UHFFFAOYSA-N 360.497 5.702 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccsc3)cc2)Oc2c1ccc1c2CCCC1 587536150 SEEAIDINCVVTTC-QFIPXVFZSA-N 360.478 6.000 0 1 FKAF Cc1cc(Cl)cc2c(C(F)(F)F)c(-c3c[nH]c4ccc(F)cc34)[nH]c12 587624482 NLFRKEQOUVANSF-UHFFFAOYSA-N 366.745 6.436 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1CCCC[C@@H]1C2(C)C 587826437 HDNLASDTNDLWRL-KHIGERABSA-N 366.318 5.164 0 1 FKAF CC[C@@]1(Cc2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587850202 CPHYUHGCQAXDEF-GTNSWQLSSA-N 368.315 5.032 0 1 FKAF FC(F)(F)c1cccc(Cc2nc(-c3cccc(Cl)c3)cs2)c1 587920892 PXAXHQZWQCZFKX-UHFFFAOYSA-N 353.796 6.073 0 1 FKAF COC(=O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587950558 SALPBGSOGOQAHE-OWBHPGMISA-N 370.408 5.312 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1 653735663 MGFBYOZZSOVJQU-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF CCCCn1c(-c2cccc(C)c2)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21 15936229 PULVTNVDVAGKNS-UHFFFAOYSA-N 374.488 5.172 0 3 FKAF c1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1 13472671 ONLSHDMBVNRMPI-UHFFFAOYSA-N 361.489 5.233 0 1 FKAF CC(=O)OC1=C(c2ccccc2F)Sc2ccccc2-n2cccc21 13739875 GZOGWCBOVJEXNB-UHFFFAOYSA-N 351.402 5.111 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@@H](C)CO 14953150 SQKRUBZPTNJQEM-RRLBHHRISA-N 361.570 5.629 0 1 FKAF C1CC[C@H]2C[C@@H](N3CCCN([C@@H]4CC[C@@H]5CCCC[C@@H]5C4)CC3)CC[C@@H]2C1 23247647 UGLVJORGECAOIY-VVQSFYORSA-N 372.641 5.712 0 1 FKAF Cc1ccc(-n2cc(-c3ccccc3)c3c(=O)oc4ccccc4c32)cc1 26637763 JHMYFFJVHCLGMX-UHFFFAOYSA-N 351.405 5.712 0 1 FKAF CCN(CC)CCCCCCCCCCNc1ccnc2cc(F)ccc12 27309910 FWBDIHBTKPJLIM-UHFFFAOYSA-N 373.560 6.248 0 1 FKAF CN(C)CCOc1ccc([C@H]2Oc3ccccc3C=C2c2ccccc2)cc1 28761109 JNVGDTKYNMRMLQ-RUZDIDTESA-N 371.480 5.301 0 1 FKAF COC(=O)c1ccc(O)c(C[C@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@@]32C)c1 34746323 ABUPJXVKVVYCOX-GREBRCKQSA-N 356.506 5.520 0 1 FKAF CCC(CC)CNC(=O)c1cnc(Nc2cccc(Cl)c2)cc1C(C)C 40395159 BHKIDPZYPBIDBY-UHFFFAOYSA-N 373.928 5.768 0 1 FKAF CN(Cc1ccccc1)Cc1ccc(C(=O)c2ccc3ccccc3c2)cc1 40952436 OGJVKXNFFVJSHP-UHFFFAOYSA-N 365.476 5.703 0 1 FKAF Clc1cccc(-c2cc(-c3ccoc3)cc(-c3ccc(Cl)s3)n2)c1 45338233 WDVWVZSUDMVFQN-UHFFFAOYSA-N 372.276 7.044 0 1 FKAF O=C(O)c1sc(-c2ccccc2)cc1-c1conc1-c1ccc(F)cc1 58603812 QJRFGVCLLQDNTI-UHFFFAOYSA-N 365.385 5.574 0 1 FKAF CCCN(CC1CC1)c1cc(Oc2ccc(-c3ccccc3)cc2)ncn1 82067762 ZLPYZUHUXHTWAX-UHFFFAOYSA-N 359.473 5.562 0 1 FKAF CC(C)c1cccc(Nc2nnc([C@H](O)c3ccc(Cl)cc3)s2)c1 82081994 UOJZEUQNTSRXTP-MRXNPFEDSA-N 359.882 5.140 0 1 FKAF Cc1cccc(-c2nc(N[C@H]3CCCC[C@@H]3C)ncc2-c2ncc(C)o2)c1 82167457 UTEDNAHRRJWYIT-KXBFYZLASA-N 362.477 5.406 0 1 FKAF Cc1cccc2c1/N=C\c1ccccc1/C=N\c1c(C)cccc1OCCO2 169299823 HONVXEQPFLWISU-YXHOTNNGSA-N 370.452 5.576 0 1 FKAF CCN1[C@H](CC[C@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CCC1(C)C 169347344 JMUXXPVTXZBUDS-KDNRZTQCSA-N 361.570 5.034 0 1 FKAF COc1cccc([C@H](C)Nc2cc(-c3ccc(Cl)cc3)nc(C)n2)c1 205344420 LSXOSDPDSUGFKN-ZDUSSCGKSA-N 353.853 5.287 0 1 FKAF CC(C)c1ccc(COc2ccccc2[C@H]2CC(=O)c3ccccc3O2)cc1 299863633 LGYIQGCQPFOBMZ-RUZDIDTESA-N 372.464 6.096 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)cc1 586880560 OBBGPVOFZVPUTG-UHFFFAOYSA-N 363.420 5.648 0 1 FKAF Cc1ccc2c3c(c(Cc4ccccc4F)cnc13)-c1ccccc1C2=O 586994645 ALLQDGZYRVDGKO-UHFFFAOYSA-N 353.396 5.485 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1cc(N)ccc1CC4)-c1ccccc1C2=O 586997675 VUSNRMZTWHKGSC-UHFFFAOYSA-N 362.432 5.102 0 1 FKAF Cc1cc(C)c2nc(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)[nH]c2c1 587030682 IZLVCJIZABZGQJ-CQSZACIVSA-N 361.514 6.139 0 1 FKAF Clc1cccc(/C=C\c2nc3c(Cl)cnc(Cl)c3[nH]2)c1Cl 587054646 PRQLLTDIMZVZIL-PLNGDYQASA-N 359.043 5.742 0 1 FKAF Fc1cc(F)c2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 587152196 XJTFFRMVYDFELD-LJQANCHMSA-N 372.321 5.288 0 1 FKAF CCOC(=O)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1 587165415 UVYFXJTXLSFSES-UHFFFAOYSA-N 366.417 5.274 0 1 FKAF COc1cccc(-c2cc(C3CCCCC3)nc3c2oc2ccccc23)c1 587365303 JCNXEONQLFHRQL-UHFFFAOYSA-N 357.453 6.704 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccccc3)c(F)c2)Oc2c1ccc1c2CCCC1 587502393 DLGZROIRQUJQQP-DEOSSOPVSA-N 372.439 6.078 0 1 FKAF O=C1C[C@@]2(CCSc3cc(F)c(F)cc32)Oc2c1ccc1c2CCCC1 587503156 CZIPGIKQBXWIFU-OAQYLSRUSA-N 372.436 5.200 0 1 FKAF CCCC[C@@]1(CCCCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587529226 LUJBGMIXLDPZFQ-JOCHJYFZSA-N 358.478 5.105 0 1 FKAF O=C1C[C@@](c2ccccc2)(c2cccc(O)c2)Oc2c1ccc1c2CCCC1 587533314 PHXICMIWQQGYNB-RUZDIDTESA-N 370.448 5.180 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1[C@@H]1CCCN1C(=O)OC(C)(C)C 587631945 NDXGAOOYIKFDNZ-ZDUSSCGKSA-N 352.837 5.341 0 1 FKAF Cc1[nH]c2ccccc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587800283 AVYFKQMFGPNPRY-OVWNDWIMSA-N 373.269 5.002 0 1 FKAF CC[C@@]1(C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587818592 IXXNWWJSLMIWFT-SGTLLEGYSA-N 354.307 5.308 0 1 FKAF CC(C)=CCC[C@H](C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821036 SGQDUTVRMGLZHB-VEVIJQCQSA-N 354.307 5.546 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Cl)cc1 587861272 QBQQXHMVPGVTBS-UHFFFAOYSA-N 352.743 5.220 0 1 FKAF Fc1cc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2cc1Cl 587949933 OAJXEKLBOVDCHO-KHPPLWFESA-N 364.807 6.318 0 1 FKAF CC(C)(C)c1cccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587956084 SLCMYIFNFKSGQB-HXUWFJFHSA-N 354.497 6.235 0 1 FKAF CC(C)=C[C@H]1C[C@](C)(/C=C\c2ccc3cc[nH]c3c2)c2cc3[nH]ccc3cc21 685935321 NYGKKNQYURXQIA-PRRCYRORSA-N 366.508 7.074 0 1 FKAF biogenic,in-vitro Cc1c(F)ccc2c1[C@@H](c1c(-c3ccco3)oc3ccc(O)cc13)NCC2 962143814 JHYYGPCDUBUEME-NRFANRHFSA-N 363.388 5.081 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)c3ccccc23)N1 962950501 NIHGVTSMZODSIN-IQMFZBJNSA-N 356.469 5.343 0 1 FKAF Oc1ccccc1-c1cc(-c2cccc(Cl)c2)cc(-c2ccccc2O)n1 1772620481 QTORHYYSJQKFJB-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF Cc1cc2[nH]c([C@@H](O)C3CCCCC3)c(-c3ccccc3)c2cc1C(=O)O 1772654745 NSUWOTVDIGJCDL-QFIPXVFZSA-N 363.457 5.455 0 1 FKAF CCc1cccc(NCc2ccc(CNc3cccc(CC)c3)s2)c1 1857541940 DOTYCMFDKGCTNM-UHFFFAOYSA-N 350.531 6.097 0 1 FKAF COc1ccc([C@@H](C)c2ccc3c(c2)Nc2ccccc2S3)cc1OC 2382226071 JQEZXLMXGFJLAZ-AWEZNQCLSA-N 363.482 6.064 0 1 FKAF CC[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1cc(C)ccc1F 13662088 CCRXMTHZKHHYRR-CQIJRDABSA-N 363.476 5.436 0 3 FKAF CC[C@@H](c1cc(=O)[nH]c(SC(C)C)n1)c1c(Cl)cccc1Cl 5885154 GSMFVCCZBREOAI-JTQLQIEISA-N 357.306 5.119 0 1 FKAF CCCc1cc(C(=O)CC)cc(CCC)c1O[C@H](C(=O)O)c1ccccc1 12358575 BMPWRPJAGOEYLP-QFIPXVFZSA-N 368.473 5.389 0 1 FKAF CC[C@]12C=C(/C=C/c3ccccc3)[C@](CC)(C1)[C@@H](c1ccccc1)CC2=O 13783080 NLQQTNRSVHYIMW-PVYRAYJSSA-N 356.509 6.579 0 1 FKAF Nc1ncnc2c1c(-c1ccccc1Oc1ccccc1)cn2C1CCCC1 26271750 PAHKLGUKLSFIBQ-UHFFFAOYSA-N 370.456 5.588 0 1 FKAF CCCCC[C@H](c1cccc(O)c1)[C@@H](CCCCC)c1cccc(O)c1 28219227 DGAJTFGSSGZARL-PSWAGMNNSA-N 354.534 7.126 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)C=C[C@]4(C)[C@H]3CC[C@@]21C 33820855 IPZKQJXECSAXDE-WFVDQZAMSA-N 374.565 5.283 0 1 FKAF CC(C)Cc1cc(-c2c[nH]c3ncc(-c4ccccc4)cc23)ccc1C(=O)O 43122465 PGBYHFSGSTUFFN-UHFFFAOYSA-N 370.452 5.794 0 1 FKAF Clc1ccc(CO[C@H](CCn2ccnc2)c2cccs2)c(Cl)c1 71296249 HZRPTCLJUBCSOM-MRXNPFEDSA-N 367.301 5.600 0 1 FKAF NCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 90609451 LKSHTRXNBWUALR-UHFFFAOYSA-N 373.972 5.868 0 1 FKAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncc(-c2ccncc2)s1 96935104 XPOGLXLFJNIQBR-UHFFFAOYSA-N 365.245 5.156 0 1 FKAF Cc1noc(C)c1-c1ccc2c(c1)[C@@H](OCc1ccc3ccccc3n1)CC2 169322574 JUNLQKMYJQGRAH-QHCPKHFHSA-N 370.452 5.711 0 1 FKAF CC(C)(C)S[C@@H](C(=O)c1ccc(Cl)cc1)n1cnc2ccccc21 473108264 LSJYFAFQUBWBEL-SFHVURJKSA-N 358.894 5.603 0 1 FKAF CCc1oc2ccccc2c1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586904394 VARIMRGVFXBLJD-UHFFFAOYSA-N 364.754 6.211 0 1 FKAF Cc1cc(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)ccc1Br 586975452 CSRLGBABFQUZCM-UHFFFAOYSA-N 357.295 5.522 0 1 FKAF Clc1ccc(-c2cc(-c3nc4cccc(Cl)c4[nH]3)ccc2Cl)cc1 587047751 MCLOCCWIYFPHRO-UHFFFAOYSA-N 373.670 6.857 0 1 FKAF Clc1ccc(-c2cc(-c3nc4ccc(Cl)nc4[nH]3)ccc2Cl)cc1 587048197 RCCFNXRTOMDJED-UHFFFAOYSA-N 374.658 6.252 0 1 FKAF N[C@H](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccccc1Cl 587055923 FWVMUJJCHNJNJL-GOSISDBHSA-N 363.848 5.251 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(=N)[nH]cc2[nH]1 587072046 OSUIWBRGOAMECJ-FCNILAAISA-N 373.287 5.043 0 1 FKAF Cc1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587123181 RLWRXNNFLZHWAE-UHFFFAOYSA-N 352.381 5.203 0 1 FKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccnc(Cl)c2[nH]1 587127843 ANRGBYVSRFYKOY-UHFFFAOYSA-N 362.792 5.339 0 1 FKAF Fc1ccc(OCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587170864 UGPYINCTMNEAFW-UHFFFAOYSA-N 350.418 5.432 0 1 FKAF O=C(O)c1cccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c1 587215909 WQHVXCNPRKBEHL-UHFFFAOYSA-N 351.405 5.366 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(=O)C3CCC3)c1)CC2=O 587479295 CXOPSRQKJYGTIU-OAQYLSRUSA-N 364.441 5.034 0 1 FKAF O=C1C[C@]2(CCCC[C@H]2Nc2ccccc2)Oc2c1ccc1c2CCCC1 587514883 XCTCFRQEZPCTAQ-VWNXMTODSA-N 361.485 5.324 0 1 FKAF CC[C@@H](OC)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522940 MDPFNKPXHSTYOW-VWNXMTODSA-N 364.485 5.544 0 1 FKAF O=C1C[C@H](c2ccsc2Br)Oc2c1ccc1c2CCCC1 587530320 FHMFOLJGIIEBQW-OAHLLOKOSA-N 363.276 5.096 0 1 FKAF Cc1cc2c(cc1C)[C@]1(CCS2)CC(=O)c2ccc3c(c2O1)CCCC3 587537299 CMCKDHZDNCGOBH-QHCPKHFHSA-N 364.510 5.539 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Cl)c2)N1 587698253 IXQLYMHJJPBLOG-BTDLBPIBSA-N 368.677 5.039 0 1 FKAF CC[C@@H]1CCC[C@H]([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C1 587823387 PJNPNHGNGXXSKL-SDFXEEBMSA-N 354.307 5.380 0 1 FKAF CCCCCc1sc2ccccc2c1C(=O)c1cccc2ccccc12 1772577930 CYHJJFKNECOYOP-UHFFFAOYSA-N 358.506 7.018 0 1 FKAF COc1ccc(-c2oc3cc(OC)ccc3c2-c2ccc(F)c(F)c2)cc1 1857629839 RVZYTXVUMUOYGV-UHFFFAOYSA-N 366.363 6.062 0 1 FKAF Fc1cccc(Cc2c(-c3ccccc3)nc3c4ccccc4ccn23)c1 95568206 HETXVSZCPJFVIS-UHFFFAOYSA-N 352.412 5.884 0 3 FKAF O=C(O)C[C@@H]1CCC[C@@H]2c3cc(F)ccc3N(Cc3ccc(Cl)cc3)[C@@H]12 5161861 USFMJLOJQLMDAA-OXTHUFEASA-N 373.855 5.226 0 1 FKAF in-vitro O=C(Nc1cccc(-c2ccccc2)c1)Nc1cc(Cl)ccc1C(=O)O 13531867 YYTGSSNODJDIJV-UHFFFAOYSA-N 366.804 5.349 0 1 FKAF CCCCOc1ccc([C@H](CC(=O)O)c2ccc(C(F)(F)F)cc2)cc1 14978892 SPMBUCIBACVSHX-GOSISDBHSA-N 366.379 5.491 0 1 FKAF CCCCc1ncc(-c2cccc(C(=O)O)c2)n1Cc1ccccc1Cl 27301478 OUEWFILRFXWTMT-UHFFFAOYSA-N 368.864 5.293 0 1 FKAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCCCCC[C@@H]1N(C)C 28240260 BFCJTKARVHSAAF-ROUUACIJSA-N 371.352 5.389 0 1 FKAF CCOC(=O)c1ccc(/C=C(\C)[C@H]2C[C@H]2C2=C(C)CCCC2(C)C)cc1 29310161 PQMJLOIHQJNZML-BPENLDBLSA-N 352.518 6.429 0 1 FKAF O=C(O)[C@@H](Cc1ccccc1-c1ccccc1)Oc1ccc(Cl)cc1 40394967 XSXGWODQMXLIET-HXUWFJFHSA-N 352.817 5.082 0 1 FKAF C[C@@H](c1ccccc1)N1CCC2(CC1)O[C@@H](CCCF)c1ccccc12 45283513 ZAXUCBNRIKRZHS-AVRDEDQJSA-N 353.481 5.560 0 1 FKAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](C)(Cl)C3 71316027 XYKQSUPGPOPNKN-SJIZYOMUSA-N 352.946 5.570 0 1 FKAF COc1ccc(Oc2cc(NCC3CCCCC3)ncn2)c2ccccc12 82067776 OROCZZFPAKTCLY-UHFFFAOYSA-N 363.461 5.423 0 1 FKAF CO[C@H](c1ccccc1COc1cc(C)ccc1C)c1c(C)noc1C 103171631 VGAKLMJWCHXKKB-JOCHJYFZSA-N 351.446 5.223 0 1 FKAF CCCCC/C=C\CCCCCCCC/C=C/C=C/C(=O)N1CCCCC1 142014953 XZJZLXUTPLOJRS-FOFNYXJPSA-N 373.625 7.369 0 1 FKAF Cc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1 143187603 BJCDASRNRFSOQH-UHFFFAOYSA-N 353.425 5.988 0 1 FKAF O[C@@H](C[C@H]1CCCCN1)c1cc(-c2ccccc2)nc2cc(Cl)ccc12 169334647 MPCWZYMRZKKBIE-VGSWGCGISA-N 366.892 5.121 0 1 FKAF O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCc2ccc3ccccc3c2O1 169348139 KLVGXTVKGCQYLD-GOSISDBHSA-N 372.251 5.479 0 1 FKAF CC(=O)OCC[C@H](C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)O)[C@H]2CC[C@H]1C 238739117 XQMPLFWXOSLTEF-XQAUGQPQSA-N 364.526 5.219 0 1 FKAF CC(C)=CCc1cccc2c([C@H](C=C(C)C)C3=C=C=C=C[C@H](N)C=C3)c[nH]c12 238744977 GNLIWLAZNLNPEH-LADGPHEKSA-N 368.524 6.015 0 1 FKAF O=C1[C@]2(CCC[C@]13C[C@H]3c1ccc(Cl)cc1)C[C@H]2c1ccc(Cl)cc1 299849328 IJLAVLPQDXPNGS-SEIRJHJZSA-N 371.307 6.394 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)cs2)o1 587016934 QFWFNKFNCLTDCK-UHFFFAOYSA-N 365.336 5.153 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(Cl)c(Cl)cc2[nH]1 587061149 BJGSPEKXRYDXKG-AWEZNQCLSA-N 355.652 6.053 0 1 FKAF Cc1c(Cl)ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074370 UHWUFIWKWHHQCI-KRWDZBQOSA-N 360.288 5.515 0 1 FKAF COc1cc(C)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097637 MZMCKIZLIPFJBA-UHFFFAOYSA-N 365.432 5.739 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC[C@H]4[C@@H]1CCOC1)-c1ccccc1C2=O 587101897 REKJWWAMJBYJCB-CVEARBPZSA-N 369.464 5.211 0 1 FKAF Cc1ccc(/C=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1F 587144592 LPVJHRIPSSKIQG-FMIVXFBMSA-N 360.457 6.332 0 1 FKAF Cc1cnc(Cl)c2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc12 587145106 HSDOPKQYSGYFOV-UHFFFAOYSA-N 355.775 5.532 0 1 FKAF Cc1cncc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587158657 IYFQTFSZICGEFH-LJQANCHMSA-N 367.811 5.227 0 1 FKAF CC(C)C(=O)[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587207443 KVZPYKJNBQOZLY-GOSISDBHSA-N 355.437 5.091 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(F)c(F)c2[nH]1 587241227 RKHJRMAVZABJPA-UHFFFAOYSA-N 351.356 5.260 0 1 FKAF O=C(c1cc(F)cc(Br)c1)c1coc2ccc(Cl)cc12 587279672 ZYUWWLJQZWHSEW-UHFFFAOYSA-N 353.574 5.219 0 1 FKAF CC[C@@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587365312 GNJXWUBTHWLNSZ-OAHLLOKOSA-N 357.453 6.487 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3ccc(Cl)cc31)CC2=O 587461453 KGTZXCOHRIISQC-NRFANRHFSA-N 372.848 5.031 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)CCCC3)CC2=O 587488651 JOSCVTQPEQPQKR-HSZRJFAPSA-N 350.458 5.104 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1nc3c(s1)CC(C)(C)CC3)CC2=O 587496115 RQMMLBPOCCOFNK-KRWDZBQOSA-N 371.502 5.023 0 1 FKAF O=Cc1cccc([C@]2(C3CCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527893 XSBHZEXXRFCEMF-RUZDIDTESA-N 374.480 5.429 0 1 FKAF O=C1C[C@H](c2ccc3oc4ccccc4c3c2)Oc2c1ccc1c2CCCC1 587536198 RSTGOLOUQXLADQ-XMMPIXPASA-N 368.432 6.171 0 1 FKAF CC(C)Nc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623173 MYCGWJYUEHXQDB-UHFFFAOYSA-N 369.266 5.294 0 1 FKAF CCc1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(C(F)(F)F)cc1 587623990 CUAYEQCZMDLVSY-UHFFFAOYSA-N 365.782 5.942 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc4c(c3)OCO4)c2c1 587643986 ZZQAPIJIEFKIOQ-LLVKDONJSA-N 371.383 5.579 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C3CCC3)cc2)N1 587824646 YCJAMQMYBWBLNI-YUNKPMOVSA-N 374.297 5.479 0 1 FKAF CCc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587848617 OQXMFZWFGYOQJM-QGHHPUGFSA-N 368.315 5.010 0 1 FKAF CCC[C@@]1(c2ccsc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587855327 UPSIMBHRPIWMQO-GTNSWQLSSA-N 368.315 5.228 0 1 FKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(Br)c(C)c2[nH]1 587931693 SJKMUAJVFBGYOC-YJYMSZOUSA-N 371.278 5.088 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cccc(Br)c2[nH]1 587950697 FDNNDJYINSTKOX-LBPRGKRZSA-N 367.246 5.619 0 1 FKAF Cc1noc(C)c1-c1cc(O)cc([C@H](O)c2ccc(Cl)c(Cl)c2)c1 1857638139 USIBYJHINQDAJV-GOSISDBHSA-N 364.228 5.053 0 1 FKAF COc1ccc(NC(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 1857772910 HOFMKKRPFULMJC-UHFFFAOYSA-N 373.412 5.456 0 1 FKAF COc1ccc2nc(C)cc(OCC(=O)c3ccc(CC(C)C)cc3)c2c1 2382260392 ZCKBVEUXTCXPJY-UHFFFAOYSA-N 363.457 5.012 0 1 FKAF CC(C)Oc1cccc(Nc2nccc3[nH]c(-c4cccc(F)c4)cc23)c1 74386991 BQGNPQHPUSHUAU-UHFFFAOYSA-N 361.420 5.900 0 3 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)NC(C)C 13761112 APMHRGDNLGREMG-AILJCPQKSA-N 373.625 7.293 0 1 FKAF CC1=C[C@@H]2c3c([nH]c4ccccc34)[C@H](c3c[nH]c4ccccc34)[C@H]2C(C)(C)C1 14887119 CZJCZWZKBWLSQX-QFWMQHCXSA-N 366.508 6.871 0 1 FKAF biogenic CN(C)CCOc1ccc([C@H](c2ccc(Cl)cc2)c2cccs2)cc1 29130541 XMUCAPDWXCRGEY-NRFANRHFSA-N 371.933 5.522 0 1 FKAF CCCC(=O)N1CCc2c([nH]c3ccc(C)cc23)[C@@H]1c1c[nH]c2ccccc12 49802920 CHMVOPXQGXZRQW-DEOSSOPVSA-N 371.484 5.232 0 1 FKAF O=C(NC(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)s1 58580902 JBGXOBKPDAMAKZ-UHFFFAOYSA-N 369.489 5.935 0 1 FKAF C[C@H](NCc1coc(-c2ccccc2Cl)n1)c1cccc2ccccc12 72101056 XXTCLXLNOQIDIE-HNNXBMFYSA-N 362.860 5.999 0 1 FKAF CCc1cnc(-c2cnc(NCc3ccccc3)nc2-c2ccco2)s1 82166155 MCQJRNJINUQMBK-UHFFFAOYSA-N 362.458 5.035 0 1 FKAF Cc1ccc(S(=O)(=O)c2cc3ccc(C)cc3c3sc(C)nc23)cc1 84713308 SNDIHGLGPHVIBT-UHFFFAOYSA-N 367.495 5.208 0 1 FKAF CCCCn1cc(C(=O)Cc2ccc(F)c(F)c2)c2cccc(OC)c21 96905990 WLXJOMRCOOVYQB-UHFFFAOYSA-N 357.400 5.154 0 1 FKAF C(=C/c1n[nH]c2cc(-c3ccncc3)ccc12)\c1ccc(-c2ccccc2)cc1 166675353 HVCWAXNSFMURQD-MDWZMJQESA-N 373.459 6.462 0 1 FKAF CC1(C)[C@H]2CC[C@H](CNc3cc(Oc4ccc5ccccc5c4)ncn3)[C@H]1C2 299878162 IMBHTTDSYOSSNM-SVFBPWRDSA-N 373.500 5.906 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(C)c(Cl)cc4[nH]3)c2)cc1 586881204 UOFTXSWLTBRKCL-UHFFFAOYSA-N 360.844 6.061 0 1 FKAF c1ccc(Sc2ccc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)cc1 586888679 LQMGDXQKTQLCCX-GBXCKJPGSA-N 368.505 6.086 0 1 FKAF Clc1cccc(COc2ccc(-c3nc4nccc(Cl)c4[nH]3)cc2)c1 587071976 RIWSOCVNEHDMJH-UHFFFAOYSA-N 370.239 5.511 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C=C(OCC(C)C)CC4)-c1ccccc1C2=O 587097072 OGWPTXJGAGKTAW-UHFFFAOYSA-N 369.464 5.714 0 1 FKAF Fc1cnc(Cl)c2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc12 587125864 UQOLQZDUBAOQQY-ZZXKWVIFSA-N 373.762 5.533 0 1 FKAF O=C1C[C@@]2(CCc3cc(Cl)c(Cl)cc32)Oc2c1ccc1c2CCCC1 587501510 OQEMDBAONBAOMZ-OAQYLSRUSA-N 373.279 5.679 0 1 FKAF O=C1C[C@@]2(CC[C@H](c3ccc(F)cc3)C2)Oc2c1ccc1c2CCCC1 587504286 GXFUDROOJQUQEM-SBUREZEXSA-N 350.433 5.376 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccccc2c1 587602981 MBCZABYWBCGKMU-URXFXBBRSA-N 368.388 5.248 0 1 FKAF Cc1c(CCc2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 587627823 BDYFBKJJVNQMCH-UHFFFAOYSA-N 366.661 5.817 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(CC(C)C)c(-c3ccc(Cl)cc3Cl)c2c1 587641166 KTIDECIYWNHYKJ-AWEZNQCLSA-N 374.355 7.854 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3Br)c(CF)c2c1 587643696 VYYKOYMVQASRRE-GFCCVEGCSA-N 360.270 6.580 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cc(OC)c(C)cc3[nH]2)c1 587779678 COSXSTCITWRAEW-UHFFFAOYSA-N 358.441 5.613 0 1 FKAF COc1ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(OC)c1C 587786749 FXYOOOJVXUBXAM-UHFFFAOYSA-N 368.380 5.167 0 1 FKAF Oc1cccc(-c2cc(-c3ccsc3)cc(-c3ccc(Cl)cc3)n2)c1 653735673 OKTFTGBIXRHIIW-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF Cc1cc2c(cc1F)[C@]1(C[C@@H](c3ccccc3)Nc3ccccc31)NCC2 962094912 URGLDVUJGBASFP-BJKOFHAPSA-N 358.460 5.080 0 1 FKAF COc1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1 1772601462 VLCDNPCLMBNFQY-UHFFFAOYSA-N 353.809 5.055 0 1 FKAF CC(=CCO)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 2356388527 IRJHFRKRPYTYCQ-TZRRMPRUSA-N 366.674 8.171 0 1 FKAF CC1=CC[C@H](O)[C@@]2(C)[C@H]1C[C@@H](C(C)C)C[C@H]2OC(=O)C=Cc1ccccc1 2356443213 DNSYTDAEXWUCHW-KQWJERSKSA-N 368.517 5.011 0 1 FKAF COc1cc(C(=O)O[C@@H]2C=C(C)CCC=C(C)CC[C@@H]2C(C)C)ccc1O 2356664305 PQAYAZRCPJMQRB-TZIWHRDSSA-N 372.505 5.665 0 1 FKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@H]12 2356691643 RBSYKCMZHUVTOE-YQIMAOPZSA-N 370.577 6.631 0 1 FKAF CC(C)c1ccc(O[C@@](C)(Cc2ccc(C(F)(F)F)cc2)C(=O)O)cc1 13604771 HLQYODDJRLWDLW-IBGZPJMESA-N 366.379 5.294 0 1 FKAF O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(-c2ccncc2)o1 29136200 MRTNSOBARULEON-UHFFFAOYSA-N 354.409 5.219 0 1 FKAF Cc1cccnc1-c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 38156658 NQMYCACQOTUGND-UHFFFAOYSA-N 356.347 5.328 0 1 FKAF O=c1c(Cc2ccc(O)cc2)coc2cccc(OCC3CCCCC3)c12 49853489 XDUWQGKXCZPOKC-UHFFFAOYSA-N 364.441 5.049 0 1 FKAF Cc1cccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1 73167167 HHAXMCRVXIYOJR-UHFFFAOYSA-N 350.809 5.456 0 1 FKAF CCCCCc1cc(OC)c2cc(Cc3cccc(OC)c3)c(=O)oc2c1 95574525 FUDLPNVYTSNVGM-UHFFFAOYSA-N 366.457 5.134 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccco2)C[C@@H](c2ccccc2)C1 104698467 BJAICVBSBVVNKM-WAIKUNEKSA-N 356.425 5.909 0 1 FKAF COc1cccc([C@@H]2c3cc(C)ccc3Nc3c2c(=O)oc2ccccc32)c1 205090552 WJSQYBMDPBMSCD-OAQYLSRUSA-N 369.420 5.347 0 1 FKAF COc1ccc(-c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)cc1OC 299824546 CJIHUKJIZSCQLV-UHFFFAOYSA-N 364.832 5.568 0 1 FKAF COc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1OC 587015660 GPEOVZRUWUTEQM-UHFFFAOYSA-N 371.849 5.024 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cnncc2[nH]1 587070514 HLRREGMVHCPGQW-SSFHCAQBSA-N 359.260 5.026 0 1 FKAF Oc1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587072356 ZHMJQFGCPOGKJZ-UHFFFAOYSA-N 350.805 5.168 0 1 FKAF FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587085434 SKDLVDZOJGTJMT-UHFFFAOYSA-N 374.753 5.359 0 1 FKAF Fc1cc(Br)c(Cl)cc1-c1nc2ccc(F)c(F)c2[nH]1 587136557 KJMRDUJINCJJMY-UHFFFAOYSA-N 361.548 5.063 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4ccc(F)c(C)c4[nH]3)c(Cl)c2)cc1F 587146018 VKQQPDLZITZUSZ-UHFFFAOYSA-N 368.814 6.445 0 1 FKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1F 587152002 WKVJIHQLXHDMAS-LJQANCHMSA-N 370.786 5.663 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)n(C)c3ccccc13)CC2=O 587470143 IOZKAQYOBXGRIV-HSZRJFAPSA-N 363.457 5.025 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(SC(C)C)cc1)CC2=O 587493544 RVNSEPBZVJLTGZ-QFIPXVFZSA-N 370.514 5.726 0 1 FKAF C[C@]1(c2cccc(C3CC3)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508075 YLAHFLGUCVZSNC-HSZRJFAPSA-N 350.433 5.463 0 1 FKAF Nc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1-2 587512504 YKIXAOHVQIWFQF-RUZDIDTESA-N 367.448 5.037 0 1 FKAF O=C1C[C@H](c2cncc(-c3ccccc3)c2)Oc2c1ccc1c2CCCC1 587516036 TXGLQFOJQDCDJZ-HSZRJFAPSA-N 355.437 5.334 0 1 FKAF CCCCC[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587534589 WLMVDKSVBGEHQS-DEOSSOPVSA-N 364.485 5.712 0 1 FKAF Cc1cc(C)n(-c2c(-c3cccc(N)c3)[nH]c3c(C)cc(Cl)cc23)n1 587626987 LDXLOCRUACTPQZ-UHFFFAOYSA-N 350.853 5.181 0 1 FKAF CCCc1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 587629070 ZDSWUPIIZWYVOC-UHFFFAOYSA-N 366.661 6.342 0 1 FKAF Clc1nccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587784367 RCHPEIWCJQTLJJ-DHZHZOJOSA-N 361.832 5.361 0 1 FKAF Cc1ccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587808323 YHPURUOJNUFBDQ-WYRIXSBYSA-N 373.269 5.002 0 1 FKAF Cc1ccc([C@@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587815376 MAXWFBVLLGMLDG-RBZFPXEDSA-N 374.297 5.084 0 1 FKAF CC(C)[C@]1(C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587817582 CTSDMFILKJHPLZ-BFUOFWGJSA-N 368.334 5.554 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2C2CCCC2)N1 587823906 SIXJGFCKXAMZOJ-YFROIQMUSA-N 366.318 5.308 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(N4CCCC4)nc3)n2)cc1 587925903 VPVLWNHMYUMRQW-UHFFFAOYSA-N 353.516 5.194 0 1 FKAF COc1cccc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 587931199 MLYQHLRDOUFODL-UHFFFAOYSA-N 374.284 5.200 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 587933183 VHKMMXVQGRKPDD-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4c(Cl)cnc(Cl)c4[nH]3)ccc2c1 587935929 WHMROLLKLLVJDR-SNVBAGLBSA-N 372.255 5.578 0 1 FKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CC3CCCCCC3)nc2c1 587960556 KPFWTOYVXXDGGU-UHFFFAOYSA-N 364.333 6.113 0 1 FKAF COc1cccc2ccc([C@H]3NCCc4cccc(-c5ccccc5)c43)nc12 962670223 VHJMYDFLAHWQON-RUZDIDTESA-N 366.464 5.146 0 1 FKAF CCCCC[C@@]1(c2ccnc(Cl)c2)c2ccccc2C[C@H](C)N1CCC 963241211 MQACLYRDDCTBGQ-FDDCHVKYSA-N 370.968 6.216 0 1 FKAF Cc1nc(-c2ccccc2)oc1-c1csc(Cc2cccc(Cl)c2)n1 1772627658 DYIFUFLZCYVGTJ-UHFFFAOYSA-N 366.873 6.018 0 1 FKAF CCC=C[C@H](CC)CC(=C[C@](O)(CC)C[C@@](O)(C=CC(=O)O)CC)CC 2356399965 LSVMTGUPGAJFCN-YUXAGFNASA-N 366.542 5.018 0 1 FKAF CC(=CCc1c(O)c(C)cc(C=O)c1O)CC[C@]1(C)CC[C@@H](C)C(=O)[C@H]1C 2356702558 JTWHVIZCDKVJLU-QDOIMOTRSA-N 372.505 5.129 0 1 FKAF CCC[C@@H]1C=C[C@@H]2CC(C)=CC[C@H]2[C@]1(C)C=C(C)C=CC=CC=CC(=O)O 2356718965 LRLMBKDNFKCUAP-VWBWNGLSSA-N 366.545 6.651 0 1 FKAF CC(=O)N(Cc1ccc(OCc2ccccc2)cc1)c1cc(C)cc(C)c1 2382216840 SNSXLEDUJIUCDF-UHFFFAOYSA-N 359.469 5.436 0 1 FKAF Cc1cc(C)cc(COC[C@@H](N)C2c3ccccc3C=Cc3ccccc32)c1 26271596 MVLDBDSDAOAUMM-RUZDIDTESA-N 369.508 5.463 0 1 FKAF CCCCCC[C@H]1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 27078618 GFRGGNGHBUJYSJ-JOCHJYFZSA-N 361.529 7.365 0 1 FKAF CCCN(CCC)CCCCOc1ccccc1/C=C/c1ccccc1 27729890 NAYNIINMTQVZGP-WUKNDPDISA-N 351.534 6.138 0 1 FKAF CC(C)OC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1 29063776 UDZUKTUEVLSQGH-UHFFFAOYSA-N 370.452 5.317 0 1 FKAF FCCC[C@@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 45260764 VCRRGVDRNWQLNT-NRFANRHFSA-N 357.444 5.138 0 1 FKAF Cc1cccc(-c2cc(-c3ccoc3)cc(-c3ccc(Cl)s3)n2)c1 45336770 UTEUESUVOPPSOE-UHFFFAOYSA-N 351.858 6.699 0 1 FKAF COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(SC)cc3)C2)cc1 49785825 ZCKJJYLNUDINKF-HSZRJFAPSA-N 374.509 5.773 0 1 FKAF Cn1c([C@H](O)Cc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 96914896 CPBPLQVNHWFYHM-OAQYLSRUSA-N 354.453 5.030 0 1 FKAF Cc1cc(C2=C(c3ccc(Cl)c(Cl)c3)C[C@@H]3CC[C@@H]2S3)on1 101389013 UCZOFGRNAPWDMW-ZBEGNZNMSA-N 352.286 5.869 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587062432 SOPLSFOHHJLXMO-GFCCVEGCSA-N 366.751 5.068 0 1 FKAF Cc1cc(F)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 587065055 SECHZFGPNIFWMO-UHFFFAOYSA-N 356.784 5.503 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587069889 LTAGBSOIYYJJIC-QMMMGPOBSA-N 369.198 5.524 0 1 FKAF CN(C)c1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105033 ZOBYRZBBRWMLHU-UHFFFAOYSA-N 350.421 5.179 0 1 FKAF CCOc1ccc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)cc1 587105799 FFYPTMPAVDQQPQ-UHFFFAOYSA-N 365.432 5.820 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cccc(Cl)c4[nH]3)c(Cl)c2)cc1F 587146033 VYZLFALCVVIJGP-UHFFFAOYSA-N 371.242 6.651 0 1 FKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(F)cnc3[nH]2)c(Cl)c1 587158645 IPPNXLSJTCKQHI-KRWDZBQOSA-N 371.774 5.058 0 1 FKAF Fc1cncc(Cl)c1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587176445 UWWCQUGMNADSQW-UHFFFAOYSA-N 364.129 5.013 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccnc1-c1ccsc1)CC2=O 587498054 YIPZGRWKFNYCSB-IBGZPJMESA-N 365.454 5.175 0 1 FKAF C[C@]1(c2cnc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503806 ZIBNVKQZIJKVPW-LJQANCHMSA-N 362.256 5.148 0 1 FKAF O=C1C[C@@H](c2nc3ccc(F)cc3s2)Oc2c1ccc1c2CCCC1 587507739 NYRZYKONAKGJFT-KRWDZBQOSA-N 353.418 5.021 0 1 FKAF CC(C)[C@@H]1CCC[C@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604450 TZLJIZXOUWTYNW-AYPBNUJASA-N 366.457 5.329 0 1 FKAF Cc1c(-c2ccc(F)c(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587623009 WIPMEKNPYVGLIO-UHFFFAOYSA-N 362.177 5.060 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3F)c(N3C(=O)CCC3=O)c2c1 587641832 KJBUYUIJXDLCSM-CYBMUJFWSA-N 364.420 5.141 0 1 FKAF CCCCCC[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587812924 LZYAOKZZRGGKHN-ACJLOTCBSA-N 356.323 5.698 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccccc3)[C@H]2C)N1 587818207 CRJWQJRLEGAJJE-AWUHREGDSA-N 374.297 5.141 0 1 FKAF Fc1ccc(-c2csc(-c3ccc(OCC(F)(F)F)nc3)n2)cc1F 587921957 DOJQFZOIVDXTMP-UHFFFAOYSA-N 372.318 5.091 0 1 FKAF CC(C)(C)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587949618 JAOLUUXQTUJQEP-DTQAZKPQSA-N 368.480 6.823 0 1 FKAF FC(F)(F)c1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1Cl 587965249 QLNAYVAPPVKQMS-UHFFFAOYSA-N 366.814 6.075 0 1 FKAF CCCN1[C@H](c2ccc(-c3ccc(F)cc3)s2)c2ccccc2C[C@H]1C 963244613 WUYIWOIIYHLFRV-MWTRTKDXSA-N 365.517 6.300 0 1 FKAF CC(C)=CCOc1ccc(CC[C@]2(C)NCCc3cc(Cl)ccc32)cc1 963378498 GJNWJEZRUBJXHG-QHCPKHFHSA-N 369.936 5.679 0 1 FKAF O=C(O)c1ccc(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1772610576 XYKONQGFZCKQPK-UHFFFAOYSA-N 362.269 5.208 0 1 FKAF Cc1c(-c2ccc(N3CCC(C)CC3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772636818 CQYPQTRKCKETIF-UHFFFAOYSA-N 368.427 5.018 0 1 FKAF CN(c1ccc2c(c1)c1ccccc1n2C)c1cc(Cl)nc2ccccc12 1857572884 YPODDFUYCBLWHI-UHFFFAOYSA-N 371.871 6.301 0 1 FKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc(C)oc12 1857581466 KNXNAMJSLZLBRS-APQCTARYSA-N 353.506 6.183 0 1 FKAF CCCCC[C@@H](O)C=CCCCCC[C@@H](CCc1ccccc1)CC(=O)O 2356776419 HVWLGPCYLSPKLN-XZOQPEGZSA-N 374.565 6.158 0 1 FKAF O=C(O)CCCCCCCc1nc(-c2ccccc2)c(-c2ccccc2)o1 13727279 VWONHTGALFFGFG-UHFFFAOYSA-N 363.457 5.976 0 1 FKAF Cc1nc(N2CCCCC2)c2[nH]c(CSc3ccc(Cl)cc3)cc2n1 13834981 SAZIXOWNVDKLBT-UHFFFAOYSA-N 372.925 5.202 0 1 FKAF CCCCCOc1cc2ccccc2cc1[C@@H](O)CCCCCCC(=O)O 28528656 AUVXPLBVCZOPLN-NRFANRHFSA-N 372.505 5.867 0 1 FKAF CCOC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1 28710930 YNCKWGKWVCDEOW-UHFFFAOYSA-N 374.362 5.043 0 1 FKAF Cc1c(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cccc2c1C(=O)O 35086902 CBPOWYLHTMNBRJ-UHFFFAOYSA-N 365.738 5.581 0 1 FKAF CCN(CC)CCCCCCCCOc1ccc(CN(CC)CC)cc1 49036379 GYCQGSQJICZJAE-UHFFFAOYSA-N 362.602 5.590 0 1 FKAF CC1=Nc2ccc(Cl)cc2[C@@H](c2ccc(C)cc2)N1CCCN(C)C 72125234 RZVYHDCYMAMDJY-OAQYLSRUSA-N 355.913 5.055 0 1 FKAF CC(C)c1cc(CCC(=O)C[C@H](O)Cc2ccccc2)cc(C(C)C)c1O 73197868 XUXZULDMSVLPDK-OAQYLSRUSA-N 368.517 5.134 0 1 FKAF COc1cc(OC)cc(-c2cc3c(Nc4ccc(F)cc4)nccc3[nH]2)c1 74387130 DUSDXSBJPYVVIY-UHFFFAOYSA-N 363.392 5.130 0 1 FKAF c1ccc(Nc2cccc(Oc3cncc(NC4CCCCCC4)n3)c2)cc1 82068575 LUSWQNCHTZAHSV-UHFFFAOYSA-N 374.488 6.147 0 1 FKAF Clc1cccc(Nc2nc(-c3c(Cl)cccc3Cl)cs2)c1 103277743 RGBFHQSJGPSPIC-UHFFFAOYSA-N 355.677 6.514 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCSC1 144739281 YIIBQCYDEMJLIF-HOTGVXAUSA-N 374.590 6.774 0 1 FKAF C/C(=C/CC[C@@H](C)CCO)CC/C=C(\C)CC/C=C(\C)CCCC(C)C 263614204 CMYGTSMAHLGVSH-SBSMLSOSSA-N 362.642 8.011 0 1 FKAF in-vitro COc1cc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2cc1F 587012588 CUOFLICTTFRGJA-UHFFFAOYSA-N 353.422 5.118 0 1 FKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)s1 587014644 OBKGECPUCPVHDY-QMMMGPOBSA-N 356.278 5.399 0 1 FKAF Cc1nc(COc2cccc(-c3nc4ccc(F)c(C)c4[nH]3)c2)cs1 587020066 FGJDLBAEXGRZTR-UHFFFAOYSA-N 353.422 5.021 0 1 FKAF Brc1cccc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587028305 QAKHNSUBQWFHOP-UHFFFAOYSA-N 356.248 5.116 0 1 FKAF Clc1ccccc1NCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587061190 CDSNQSWDOKAGPG-UHFFFAOYSA-N 363.848 5.407 0 1 FKAF O=C(COc1ccc(OC(F)(F)F)cc1)c1coc2ccc(Cl)cc12 587278127 HBPADHMFNOGDLF-UHFFFAOYSA-N 370.710 5.247 0 1 FKAF CC[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355773 VZMLMJTYCDZYQR-ZFGLAFRWSA-N 354.421 5.229 0 1 FKAF C=Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCCC 587366073 QLTHGASHQROROE-UHFFFAOYSA-N 357.453 6.642 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c(Cl)sc(Cl)c31)O2 587413177 NEZPQYUWVUPLJE-KRWDZBQOSA-N 368.285 5.143 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3cc(F)ccc3o1)CC2=O 587471143 JCEVVPWLSNVUCP-OAQYLSRUSA-N 354.377 5.111 0 1 FKAF CC(=O)c1c(C)cc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587521777 GGPMOJXFTCJUDT-NRFANRHFSA-N 362.469 5.400 0 1 FKAF Cc1c(-c2cnn(C)c2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628469 UAYQJEUGOZJAGH-UHFFFAOYSA-N 361.289 5.223 0 1 FKAF Cc1cccc(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587691984 JESQREDEDZULFR-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CCCC[C@H]3C2)N1 587817520 LLCQAPOIFPFIAY-UMCXVIDHSA-N 366.318 5.308 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)c2ccccc2)N1 587818801 JZDHQMOHTQWFHU-SGTLLEGYSA-N 362.286 5.141 0 1 FKAF CC(C)C/C=C(\C(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821754 XJJBGNZXNOQDRR-HOILVLDPSA-N 368.334 5.792 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccccc3o2)N1 587828410 NHAOPBVGLXQTII-WYRIXSBYSA-N 374.253 5.132 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(Br)cc(C)c2[nH]1 587950358 KKEOPWOFQXFLRB-WPGHFRTFSA-N 365.315 5.680 0 1 FKAF CCc1ccc(C(=O)CCc2nc3cc(Br)cc(C)c3[nH]2)cc1 587954787 AQDPLIAUSZSEJE-UHFFFAOYSA-N 371.278 5.012 0 1 FKAF CCCC[C@]1(c2ccc(C)cc2)NCCc2cc(-c3ccccc3)ccc21 962659198 BCAIHMBBJDKASM-AREMUKBSSA-N 355.525 6.242 0 1 FKAF CC(C)=CCc1cc(/C=C/C(=O)O)ccc1NC(=O)CC1CCCCC1 1857571803 JGXBEQLENIWIHM-JLHYYAGUSA-N 355.478 5.202 0 1 FKAF COc1ccccc1C(=O)c1cnc(Nc2cccc(-c3ccccc3)c2)[nH]1 1857575286 DOQAHWRCGUBULL-UHFFFAOYSA-N 369.424 5.060 0 1 FKAF CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(C(=O)OCC)n1C 1857756986 CORHDMNWOGVBQR-UHFFFAOYSA-N 357.494 5.102 0 1 FKAF CC[C@@H](C)CCCCCCCCCCCCCCCCC[C@@H](O)CO 2356442608 JQEKEXDMJYLFNV-DHIUTWEWSA-N 356.635 7.017 0 1 FKAF CC[P@](=O)(OC)c1ccc2nc(-c3ccc(C(F)F)cc3)oc2c1 2382257707 JPZUKXHZBAEZPU-DEOSSOPVSA-N 351.289 5.002 0 1 FKAF Cc1cc(C)n2c(NCc3ccccc3)c(-c3cc4ccccc4o3)nc2n1 95569165 XCEHVNWASYOLJB-UHFFFAOYSA-N 368.440 5.371 0 3 FKAF CC[C@@]12C=C(/C=C/c3ccccc3)[C@@](CC)(C1)[C@H](c1ccccc1)CC2=O 7992325 NLQQTNRSVHYIMW-AFFVBSNGSA-N 356.509 6.579 0 1 FKAF CCCC(=O)c1cnc2c([C@H](C)O)cccc2c1Nc1ccc(O)cc1C 11688767 KKROLBPZTBQBCJ-AWEZNQCLSA-N 364.445 5.029 0 1 FKAF CCCCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1 27086293 USKNLCHBIFJGKK-UHFFFAOYSA-N 359.422 5.095 0 1 FKAF CCCCCCOc1ccc(CCC(=O)C(F)(F)C(F)(F)F)cc1 40866330 CHPZQBJUDBIOER-UHFFFAOYSA-N 352.343 5.345 0 1 FKAF Cc1ccccc1NC(=S)N[C@H]1CC(C)(C)Oc2ccc(Cl)cc21 40881137 MSWIGNQSZFUTDM-INIZCTEOSA-N 360.910 5.237 0 1 FKAF Cc1cc(=O)oc2cc(-c3cc4ccccc4s3)c3c(c12)OC(C)(C)C=C3 43061250 VLUIVCBLEDMBFK-UHFFFAOYSA-N 374.461 6.167 0 1 FKAF CC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)NCCO 66080015 IKTSAEAKQWDQDU-MBMMKWFLSA-N 357.538 5.183 0 1 FKAF Cc1ccc(-c2cc(Cl)cc3c2O[C@@H](C(F)(F)F)C(C(=O)O)=C3)cc1 66103680 FKRGMKAZITYKGR-MRXNPFEDSA-N 368.738 5.107 0 1 FKAF CCCOc1ccc(-c2nc(CN[C@H]3C[C@H](C)CC(C)(C)C3)co2)cc1 72184701 NWWLEGSOAAAZMQ-WMZOPIPTSA-N 356.510 5.435 0 1 FKAF Clc1ccc(C[C@H]2Cc3ccccc3[C@H]2N2CCCCC2)c(Cl)c1 82150688 YIRNFGGDEBTYRM-UTKZUKDTSA-N 360.328 5.935 0 1 FKAF COc1ccc2c(c1)S[C@]1(c3ccc(C)cc3)C(=O)c3ccccc3C1=N2 84723030 JZJFAEDBKBMWJY-QHCPKHFHSA-N 371.461 5.322 0 1 FKAF CCCCc1oc(CCc2ccc(O)c(OC3CCCCC3)c2)cc1CO 85624466 WEBMPXGILWNKNN-UHFFFAOYSA-N 372.505 5.317 0 1 FKAF biogenic,in-vitro O=C(O)C[C@@H](CC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 95572140 PRAVUEHOUSEHET-CYBMUJFWSA-N 370.754 5.190 0 1 FKAF Fc1ccc(-c2nc3ccccn3c2-c2cccc(-c3ccoc3)c2)cc1 96927460 IJPSEWYDPPOLOP-UHFFFAOYSA-N 354.384 6.067 0 1 FKAF COP(=O)(OC)[C@H](Nc1ccccc1)c1ccccc1Br 103299989 AFRBZVSLFAUYTN-HNNXBMFYSA-N 370.183 5.046 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cccc(Br)c2[nH]1 586878793 LGQNUMRSFQRDNE-UHFFFAOYSA-N 363.258 5.968 0 1 FKAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 586894027 XNCXMSQYXGVXSX-SBUREZEXSA-N 372.468 5.287 0 1 FKAF COc1ccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 587013967 DVZGOECORPVDIP-UHFFFAOYSA-N 355.850 5.324 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 587068429 ACICVMVWRNQMPQ-SECBINFHSA-N 351.208 5.385 0 1 FKAF FC(F)C(F)(F)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587089146 LEUDHACNCCJQHN-UHFFFAOYSA-N 351.328 5.197 0 1 FKAF CCC[C@@H]1CC(=O)Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587100661 NZYRXCSRJJUTCJ-CQSZACIVSA-N 355.437 5.154 0 1 FKAF COc1cccc(-c2cc(CCN(C)C(C)C)nc3c2oc2ccccc23)c1 587360269 NLAOZXXAKJPWAY-UHFFFAOYSA-N 374.484 5.539 0 1 FKAF COc1cccc(-c2cc(-c3ccc(F)cc3)nc3c2oc2ccccc23)c1 587361005 UISSYXFGDFNEFG-UHFFFAOYSA-N 369.395 6.463 0 1 FKAF CCCCCc1ccc([C@@]2(CC)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404741 ZCQPEXGBMVWFKL-HSZRJFAPSA-N 351.490 5.581 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(Cl)c1)CC2=O 587463847 ZCBDSBVPZFOSTF-QGZVFWFLSA-N 351.229 5.358 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1C)(C(C)(C)C)CC2=O 587488733 LQGIIXDTDOFAQH-QHCPKHFHSA-N 352.474 5.560 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(CC[C@@H]1C(C)=CCCC1(C)C)CC2=O 587489253 NXVDEXUMEKKQMQ-NTKDMRAZSA-N 370.533 6.231 0 1 FKAF CCOc1ccc2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587522226 DVWBGDGLTDFBLO-QFIPXVFZSA-N 361.441 5.152 0 1 FKAF CCCCCc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522587 JDHWTBBBNXHLGR-RUZDIDTESA-N 362.513 6.179 0 1 FKAF O=C1C[C@@H](c2csc(-c3ccccc3)n2)Oc2c1ccc1c2CCCC1 587534631 DGYAZRTYLCDGGL-FQEVSTJZSA-N 361.466 5.395 0 1 FKAF Cc1c(Cl)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587691382 FGUNBZNDZXUDBE-VVVCHXIZSA-N 368.677 5.174 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)F)cc2)N1 587717966 MTXIDGDRYGYICG-XXFAHNHDSA-N 370.212 5.149 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cc(Cl)cc(C)c3[nH]2)c1 587780223 PBKGXTMCBSSXBC-UHFFFAOYSA-N 362.860 6.257 0 1 FKAF Cc1ccc(/C=C/[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587819150 LMGDWVGJDCLFFE-KITVMDKVSA-N 360.270 5.185 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2C12CCN(c1ccccc1Cl)CC2 963232228 DAGBYMPSZLSJMK-SFHVURJKSA-N 368.952 5.492 0 1 FKAF FC(F)(F)c1ccc(-c2nc3ccc(C(F)(F)F)c(Cl)c3o2)cc1 1857641631 SIKMFPAJZVLOEM-UHFFFAOYSA-N 365.660 6.186 0 1 FKAF CC1(C)CCOc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc21 1857652409 WIGMXXVNUWLNJQ-UHFFFAOYSA-N 364.367 5.410 0 1 FKAF C[C@@H]1C[C@H](C(=O)Nc2nc3ccc(OC(F)F)cc3s2)CC(C)(C)C1 1857764611 ZBYCNBYEYWRADI-MNOVXSKESA-N 368.449 5.299 0 1 FKAF CC(C)CCCCCCCCCCCCCCCCCCC[C@@H](O)CO 2356563944 GBFUJWSPEXCLMP-XMMPIXPASA-N 370.662 7.408 0 1 FKAF CCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1 2382230521 OKIAVBYKGKWODE-UHFFFAOYSA-N 373.452 5.385 0 1 FKAF CN1CCCC[C@H]1CCN1c2ccccc2Sc2cc(Cl)ccc21 2382260060 ICXCHPHGCIPSBE-INIZCTEOSA-N 358.938 5.817 0 1 FKAF C[C@H]1C[C@](C)(CCCCCCCCCCCCc2ccccc2)OC1=O 13460476 FAIZHPBXQAJJPL-URXFXBBRSA-N 358.566 6.862 0 1 FKAF biogenic COc1ccc(-c2ccc3c(c2)NC(=O)/C3=C\c2cc3c([nH]2)CCCC3)cc1 13809122 DPKWEIZIBQDTFF-STZFKDTASA-N 370.452 5.062 0 1 FKAF COc1c2c(cc3c1[C@H](OC)C[C@H](c1ccccc1)O3)OC(C)(C)C=C2 14885787 GFVVFOVUYZBZJA-SJLPKXTDSA-N 352.430 5.091 0 1 FKAF biogenic c1cc2c3c(cccc3c1)[C@H](N1CCC(c3c[nH]c4ncccc34)CC1)C2 34867452 AWKSCYYXWJOSAA-JOCHJYFZSA-N 353.469 5.193 0 1 FKAF Cc1cccnc1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 38149537 QABQAXWODIOTHC-UHFFFAOYSA-N 356.347 5.328 0 1 FKAF Oc1cccc(C2=Nc3ccccc3S[C@H](c3cccc(Cl)c3)C2)c1 40425341 MBNHLRSXXLXAGA-NRFANRHFSA-N 365.885 6.404 0 1 FKAF COc1ccc([C@@H]2CC(c3cccc(O)c3)=Nc3ccccc3S2)cc1 40973775 ZYVHLPYWOHGTDC-QFIPXVFZSA-N 361.466 5.759 0 1 FKAF CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CC[C@H](C)CC(=O)O 43510286 QSEIUMVWJJWZJP-YCKJQGHTSA-N 364.526 5.219 0 1 FKAF CN(C)CCOc1ccc2c(c1)OC(C)(C)C=C2c1cccc2ccccc12 45228213 DXROPGXURWBEFE-UHFFFAOYSA-N 373.496 5.383 0 1 FKAF CCN(C/C=C/C(C)=C/C(=O)O)c1cc2c(cc1C)C(C)(C)CCC2(C)C 53255787 PQUKTZDZZRYNRP-XYJQQDCNSA-N 369.549 5.757 0 1 FKAF CCCCNc1ccc2c(c1)[C@@H]1C[C@H]2CCN1C(=O)OCc1ccccc1 61943051 RDJMQSPYRINBCE-GCJKJVERSA-N 364.489 5.470 0 1 FKAF CCCCCCC1=C(c2ccccc2)[C@]2(OC3CCCCC3)CCC[C@@H]2C1 71318083 OJGKQCGEXWAXEK-BVAGGSTKSA-N 366.589 7.703 0 1 FKAF c1ccc(-c2cn(Cc3coc(-c4cccc5ccccc45)n3)cn2)cc1 72102967 ZXSRVJWNEZAELJ-UHFFFAOYSA-N 351.409 5.407 0 1 FKAF Fc1ccc(Oc2cc(NCc3ccccc3C(F)(F)F)ncn2)cc1 82067346 NLDINKAXEJTQTH-UHFFFAOYSA-N 363.314 5.039 0 1 FKAF Clc1ccc(-c2nc3cnc4cc(Br)ccc4c3[nH]2)cc1 82158415 LQZLGYSSMDMQJY-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccccc2)nn1 84758601 VXFRIVMISAHKLG-HNNXBMFYSA-N 355.466 5.922 0 1 FKAF CN(Cc1ccccc1)c1ccccc1NC(=O)Cc1cccc(Cl)c1 95557457 MDCGAKUGBRILGP-UHFFFAOYSA-N 364.876 5.158 0 1 FKAF CCOC(=O)C1=CN(Cc2cccc3ccccc23)C=C[C@H]1c1ccccc1 95584331 SLYQGFXLZVKYDN-QHCPKHFHSA-N 369.464 5.400 0 1 FKAF CCOc1ccc(-c2cnc(NC)c(C(=O)c3ccc(Cl)cc3)c2)cc1 96285669 NPROGXFSENVCQE-UHFFFAOYSA-N 366.848 5.073 0 1 FKAF Cc1ccc2nc3c(cc2c1)C=NN=C(Nc1cccc(Cl)c1)S3 98084473 AUKWFJJEPZXQSK-UHFFFAOYSA-N 352.850 5.104 0 1 FKAF Cc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1C1CC1 103241181 GXQPSIZLNSOJMZ-UHFFFAOYSA-N 372.472 5.275 0 1 FKAF Nc1c(C(=O)Nc2cccc3ccccc23)sc2nc3c(cc12)CCCC3 113819176 PSKKXCZXXQDQBG-UHFFFAOYSA-N 373.481 5.163 0 1 FKAF O=C(O)c1ccc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 138171579 ZRIGYCTVHSYCPQ-OWOJBTEDSA-N 360.253 5.593 0 1 FKAF C/C(Cl)=C\CN1CC[C@@]2(c3ccccc3)c3cc(O)ccc3C[C@H]1[C@@H]2C 221668451 PYBFPILFWVWSMG-VVRKINIYSA-N 367.920 5.087 0 1 FKAF CO[C@H]1CC[C@H]2[C@@H](CC[C@H]3CC4=CC[C@@H]5C[C@@H](OC)CC[C@@H]5[C@H]4CC[C@@H]32)C1 238779797 SRLQTLATHMPQSG-PSZPQWBSSA-N 372.593 6.005 0 1 FKAF CC[C@@]1(C)C[C@@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 586892121 UFIGJELIMSKTJQ-IERDGZPVSA-N 350.418 5.045 0 1 FKAF O=Cc1cc(Br)cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 586982725 OYQRWMPNDWOMRV-UHFFFAOYSA-N 370.033 5.112 0 1 FKAF Cc1cccc(N)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586996873 QOLPCPFZLOBRHZ-UHFFFAOYSA-N 350.421 5.312 0 1 FKAF Cc1cc(Br)cc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc12 587032807 BDBJDJWULAAMAK-VIFPVBQESA-N 361.308 5.487 0 1 FKAF CC(C)(C)c1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587063416 UYGATROXWAUQHA-UHFFFAOYSA-N 374.915 6.772 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 587067191 XTKBDOVJEVLCKG-SECBINFHSA-N 355.652 5.972 0 1 FKAF Cc1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587072385 ZWMZTXYULTURKH-WQLSENKSSA-N 374.871 6.274 0 1 FKAF Fc1cc(Cl)cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083294 MMNZJOCABKUCPC-UHFFFAOYSA-N 366.610 5.877 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1F 587151670 IDABSWLRKQEWEW-IUCAKERBSA-N 372.724 5.784 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)(C)C)[nH]c3c(F)cccc13)O2 587387958 XONIMHVVORFJJC-KRWDZBQOSA-N 366.436 5.202 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1c1ccccc1Cl)CC2=O 587459086 BIWHPULOSRZDPS-JTSKRJEESA-N 370.876 5.670 0 1 FKAF O=C1C[C@H](c2cc3cc(Cl)ccc3[nH]2)Oc2c1ccc1c2CCCC1 587503768 ZADAUSJHLRAGRG-HXUWFJFHSA-N 351.833 5.407 0 1 FKAF O=C1C[C@@]2(CCc3c(Cl)cc(F)cc32)Oc2c1ccc1c2CCCC1 587508476 PQBABIOPBLMSBP-OAQYLSRUSA-N 356.824 5.165 0 1 FKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(C)C 587523708 OTBNZEZNMOPBAG-OAQYLSRUSA-N 366.457 5.068 0 1 FKAF CCc1c(-c2ccc(Br)cc2F)[nH]c2cc(Cl)c(F)cc12 587628969 CGSLFXRYFZCZRY-UHFFFAOYSA-N 370.624 6.091 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2Cl)N1 587727714 PBLVGXVLKWJZPK-VPTHRUTESA-N 372.640 5.004 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4ccc(C(F)(F)F)cc4[nH]3)ccc2c1 587935086 PAACTASSPCCFLG-GFCCVEGCSA-N 370.374 5.895 0 1 FKAF Fc1ccc([C@@]2(CC(F)(F)F)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963093441 BQFXIVHPWIBKEE-MJGOQNOKSA-N 367.361 5.181 0 1 FKAF C[C@]1([C@@H]2C[C@@H]2c2ccc(Cl)cc2)c2c(F)cccc2C[C@H]2CCCN21 963114521 VMHWOMJKJLBIGD-YXTQBTIXSA-N 355.884 5.519 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccc1)[C@H]1C[C@@H]2C=C[C@H]1C2 963230436 PKWIVAZHLOJUCT-FOCXTRSSSA-N 357.541 5.799 0 1 FKAF C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccccc4)cc3c21 1772634509 GHMZRWNZWHUOID-HNNXBMFYSA-N 368.415 5.395 0 1 FKAF CCCCCCSc1ccc(C(=O)CC[N@@]2C[C@@H]2C)c(Cl)c1Cl 1857607043 APGLOJXHKLCBCF-ZSEKCTLFSA-N 374.377 5.943 0 1 FKAF CCCCC=C[C@@H](O)CCCCCCc1cc(=O)c2ccccc2n1C 2356396210 DWNMEVXONKHWAM-HXUWFJFHSA-N 355.522 5.139 0 1 FKAF CC(C)C1=C(Cc2ccccc2)C(=O)OC1=Cc1ccc(O)c(Cl)c1 2356410913 FJCMKDBQNWQPBT-UHFFFAOYSA-N 354.833 5.139 0 1 FKAF CC(C)=CCCC(C)=CC=CC(C)=CCc1c(C)[nH]c2ccccc2c1=O 2356597525 KLUHZQUKMRCQJA-UHFFFAOYSA-N 361.529 6.574 0 1 FKAF CON(C)CCCCCCCCCCC=CCCCCc1cccnc1 2356794675 LICDIKMXPIKYGS-UHFFFAOYSA-N 360.586 6.355 0 1 FKAF CCCCCC(C)(C)OC(=O)NC(CC)(C(F)(F)F)C(F)(F)F 3189044 IQWVDHSPGIXXOB-UHFFFAOYSA-N 351.331 5.345 0 1 FKAF biogenic CC(/C=C/[C@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O 4847121 BOOOLEGQBVUTKC-DHPCXDHDSA-N 352.518 5.900 0 1 FKAF in-vitro CC[C@@H](C)CNCCc1ccc2ccc(CCNC[C@H](C)CC)cc2c1 27655956 DRCDQROWAJCQKW-WOJBJXKFSA-N 354.582 5.196 0 1 FKAF Cc1cc(Nc2nnc(Cc3c(Cl)cccc3Cl)o2)ccc1Cl 28862890 JIKBNMGEKNCWOH-UHFFFAOYSA-N 368.651 5.673 0 1 FKAF F[C@H]1Cc2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2[C@@H]1F 36080430 PSRFKHITIJTTIS-VHSXEESVSA-N 357.109 5.103 0 1 FKAF c1cc(CN2CCCCC2)cc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 45189329 KDKWYPNBNJCUSF-UHFFFAOYSA-N 373.525 5.944 0 1 FKAF NC[C@H](O[C@@H](c1ccccc1)c1ccc(Cl)cc1Cl)c1ccccc1 45358831 LOIQBFGRVRSEIL-SFTDATJTSA-N 372.295 5.799 0 1 FKAF CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(C[C@@H](C)C[C@@H](C)O2)c2ccccc21 66136511 FCLSDSXDBAGLFT-UALQITOOSA-N 367.533 5.756 0 1 FKAF Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3ccccc3N2C(=O)C(C)C)cc1 104004642 GDKJHTKFSXFRIF-QHCPKHFHSA-N 374.484 5.807 0 1 FKAF CN(C)c1cccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1 143042184 KLFKHXKQJZJTGL-UHFFFAOYSA-N 372.497 5.682 0 1 FKAF CC(C)=C1CC[C@@H](C)[C@](C)(CCc2ccoc2)[C@@H]1CCC(=O)OC(C)C 238752105 WXJSQSRTYFZBJE-AAIMPIBUSA-N 360.538 6.333 0 1 FKAF Fc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccc(F)cc3[nH]2)cc1 473115270 RFIWDXBLVUPDFN-UHFFFAOYSA-N 372.378 5.361 0 1 FKAF Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)c3ccncc23)cc1 473170042 PMHZXVBYNJXUAA-UHFFFAOYSA-N 374.465 5.011 0 1 FKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)s1 587015170 ZIFKXTXQKPEHQO-VIFPVBQESA-N 355.385 5.111 0 1 FKAF Cc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1Cl 587065131 UQTIRXXKCFUMMT-UHFFFAOYSA-N 373.239 6.017 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](C(F)(F)F)CC3 587103575 KJYFJCITBRBETP-NSHDSACASA-N 353.343 5.113 0 1 FKAF Fc1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1F 587129506 XDKOXDJBJMISAJ-UHFFFAOYSA-N 363.339 5.569 0 1 FKAF CC1(C)c2nc3cccc4c3c(c2[C@H]1c1ccccc1)-c1ccccc1C4=O 587207904 OKWCFXBENOSRMJ-HSZRJFAPSA-N 361.444 5.869 0 1 FKAF C[C@@H]1CCC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]1C 587355000 PDLNMWXEDFICDF-ABTLNGFYSA-N 354.421 5.085 0 1 FKAF Cc1cc(C)c([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587405401 LAYZOMUQEMMOET-VWLOTQADSA-N 371.480 5.411 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(F)cc4)s1)[C@@H](C2)C3=O 587426297 BYEKUTSGJCXAPP-BTYIYWSLSA-N 366.413 5.052 0 1 FKAF CCc1c(-c2cn(CC(=O)O)c3ccccc23)[nH]c2ccc(F)c(Cl)c12 587631745 LGYGQNZNQBGGBU-UHFFFAOYSA-N 370.811 5.229 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(CC(=O)c3ccc(C(F)(F)F)cc3)c(C)c2c1 587640035 BHOJWLQRNAPWJM-CYBMUJFWSA-N 373.418 6.434 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)cc2F)[nH]c2ccc([C@@H](C)CC)cc12 587640919 GORZYHXREGHJLO-LBPRGKRZSA-N 373.855 6.318 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C(F)F)N1 587713514 DKUJHQPACJPJQY-JDNHERCYSA-N 370.212 5.149 0 1 FKAF Clc1cncc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587785010 XLLHWWRTLWGZMR-DHZHZOJOSA-N 361.832 5.361 0 1 FKAF CCCCOc1cc2nc([C@@H](CCC)C(C)C)[nH]c2cc1Br 587954570 AIEDMZWODWJLJQ-ZDUSSCGKSA-N 367.331 6.044 0 1 FKAF Clc1cc(Cl)c2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2c1 587961133 JMRAPBDWCAEQCZ-UHFFFAOYSA-N 353.252 6.128 0 1 FKAF CC/C(=C\c1nc2cc(Br)cc(F)c2[nH]1)c1ccc(C)cc1 587968020 RQDOSOHDJZPYGT-XYOKQWHBSA-N 359.242 5.724 0 1 FKAF COc1ccc(/C=C/c2ccc(OCCCC(C)(C)C(=O)O)cc2)cc1 653776535 DLHSDMSJYICRBU-AATRIKPKSA-N 354.446 5.135 0 1 FKAF Clc1cc(Cl)c2c(c1)[C@@H](c1cc(-c3ccncc3)cs1)NCC2 963105307 IHPPMUXAGJYGMG-SFHVURJKSA-N 361.297 5.352 0 1 FKAF CCC=C1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356472235 PCFLWNUQAQQXOU-FGDWFLNHSA-N 358.566 6.297 0 1 FKAF CC(=O)O[C@@H]1C[C@H]2C(C(C)C)=CC[C@@]2(C)CC=C(C(=O)O)CCC=C1C 2356607082 PGLAOOCIGQLYBN-TUNNFDKTSA-N 360.494 5.058 0 1 FKAF CC[P@](=O)(OC)c1ccc2oc(-c3ccc(C(F)F)cc3)nc2c1 2382216791 HRQWQMCAWNQXIX-DEOSSOPVSA-N 351.289 5.002 0 1 FKAF CC(C)Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc(F)cc1 2382217826 SAXNVLCQOAQZMW-UHFFFAOYSA-N 374.506 5.139 0 1 FKAF Cn1c(-c2cccc(C(F)(F)F)c2)cc2cnc(Nc3cccnc3)cc21 206018379 IOVIUPHCWPAQAN-UHFFFAOYSA-N 368.362 5.398 0 3 FKAF C/C(=C\c1csc(C(=O)O)c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 13742308 CKCBFSYZMMHVKT-NTEUORMPSA-N 368.542 6.664 0 1 FKAF CCCN[C@H](CCC)Cc1ccc(OC)c(OCCc2ccccc2)c1 13801118 ICGIQSVJOURFOI-OAQYLSRUSA-N 355.522 5.028 0 1 FKAF CCC/C=C/C=C/CC/C=C/C=C/CCCCc1cc(OC)cc(=O)o1 15269432 VJXCRRDKVZGHIV-UVHOCLKUSA-N 356.506 6.166 0 1 FKAF O=P(O)(O)[C@H](Cc1ccc2ccccc2c1)c1cccc2ccccc12 27876681 JLILTKHQGMQAQD-JOCHJYFZSA-N 362.365 5.455 0 1 FKAF C(=C(/c1ccccc1)C1CCN(CCc2ccccc2)CC1)\c1ccccc1 28222118 SOSMODPTPXKLLN-QYQHSDTDSA-N 367.536 6.182 0 1 FKAF CSc1nc2c(Nc3ccc(Cl)cc3)c3ccccc3nc2s1 29131239 MTGZXTJXMICTLQ-UHFFFAOYSA-N 357.891 5.963 0 1 FKAF O=c1oc2c3c(ccc2c(O)c1Cc1ccc2ccccc2c1)CCCC3 45258686 KNKZVMSSULFNJW-UHFFFAOYSA-N 356.421 5.121 0 1 FKAF Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccc2)cc1 45389761 XTBKEWVKERJCMK-RUZDIDTESA-N 352.481 5.624 0 1 FKAF CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(OC(F)(F)F)ccc12 49051392 VXRYQXITUHHEHO-CQSZACIVSA-N 369.431 5.056 0 1 FKAF Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C 53255565 JLIOUCZCOQHOPO-UHFFFAOYSA-N 374.532 5.162 0 1 FKAF CCCCCC[C@H](C)CCCCCCCCCCC[C@@H]1N[C@@H](CO)[C@H]1O 63291570 MXSVVKSZJQKNBC-MLCQCVOFSA-N 369.634 5.578 0 1 FKAF biogenic Cc1ccccc1-c1nc(N2CCCCC2)ncc1-c1nc(C)c(C)s1 82177429 NISBGILRYFPLCB-UHFFFAOYSA-N 364.518 5.183 0 1 FKAF CC[C@H](C)Cn1c(CC(C)(C)C)nc2c(NCc3cccs3)ncnc21 82178930 GQLYAGGEJGXUOO-AWEZNQCLSA-N 371.554 5.135 0 1 FKAF Fc1ccccc1Sc1nc(C(Cl)(Cl)Cl)nc2ccccc12 84709308 LERGEMQJIYVLPE-UHFFFAOYSA-N 373.667 5.747 0 1 FKAF CCCCCCOC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 84741386 ZEFYPDHASVAURS-UHFFFAOYSA-N 362.373 5.324 0 1 FKAF CC(C)[C@@H]1C(O)=C(c2ccc3ccccc3c2)C(=O)N1Cc1ccsc1 101731916 SGTDVYJWFFKLLN-HXUWFJFHSA-N 363.482 5.237 0 1 FKAF CC[C@H](C)CCCCCCCCCCCCCCC(=O)OC[C@H](O)CO 141867466 PCPCDHQPMXLOJJ-LEWJYISDSA-N 372.590 5.390 0 1 FKAF Cc1nn(-c2nc(-c3ccc(Cl)cc3)cs2)c2c1Cc1ccccc1-2 210007059 OEIHOHGQAYXJOA-UHFFFAOYSA-N 363.873 5.529 0 1 FKAF 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@@]12C 299805748 AZFLHSKQKSZOET-FBQIOEMXSA-N 374.565 5.283 0 1 FKAF Fc1c(Br)cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1F 586884130 OAZVEGVUEKXPIN-HZLNVJGASA-N 367.237 5.071 0 1 FKAF Nc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1Cl 586985904 LVGDGKHIRVCBRN-UHFFFAOYSA-N 372.811 5.054 0 1 FKAF Fc1cc(Cl)cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587018139 WXJODFOWJXHUDG-UHFFFAOYSA-N 365.220 5.194 0 1 FKAF CC(C)Oc1ccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2c1 587050957 NQZARRNDMSRFSC-UHFFFAOYSA-N 371.868 5.265 0 1 FKAF Cc1ccnc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc12 587073809 OVVIARAUBPFCBB-XDJHFCHBSA-N 373.887 6.093 0 1 FKAF COc1cccc(-c2c(Cc3ccccn3)cnc3c2oc2ccccc23)c1 587363906 QQBCGWVYFVHJCL-UHFFFAOYSA-N 366.420 5.642 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccccc3)c(C)c1)O2 587397786 BEWPYYIUHGMPGA-QHCPKHFHSA-N 373.452 5.171 0 1 FKAF Cc1cccc(COc2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)c1 587399172 IRZBXKBSIMABOY-QHCPKHFHSA-N 373.452 5.171 0 1 FKAF O=C1C[C@H](c2ccc3cc(Cl)ncc3c2)Oc2c1ccc1c2CCCC1 587502379 VHLYJUGGUKPRKX-HXUWFJFHSA-N 363.844 5.474 0 1 FKAF Cc1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587512407 NQLXTYYYFLOHKQ-XMMPIXPASA-N 371.480 5.679 0 1 FKAF CCSc1ccccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587530679 DCWZVELYEJJBNA-QFIPXVFZSA-N 352.499 5.558 0 1 FKAF Fc1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3Cl)c2c1Cl 587628785 PWQBLGNICXRSBN-UHFFFAOYSA-N 356.227 6.948 0 1 FKAF Fc1cc2c(-c3cccnc3)c(-c3cccc(Cl)c3)[nH]c2cc1Cl 587629113 UYVFLOMKMAIELK-UHFFFAOYSA-N 357.215 6.343 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)Nc3cccnc3)c2c1 587643826 XPFOHNKEBNDMFE-INIZCTEOSA-N 369.468 5.996 0 1 FKAF CCCc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587821449 VCEBDVLQIDEUMH-HXPMCKFVSA-N 362.286 5.164 0 1 FKAF C(=C\c1ccccc1Oc1ccccc1)\c1nc2cc3c(cc2[nH]1)OCO3 587949839 LGEYGPFGEMKJST-KHPPLWFESA-N 356.381 5.254 0 1 FKAF CC/C(=C\c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(C)cc1 587967631 PHJXQABGWSQWCJ-XYOKQWHBSA-N 364.798 6.494 0 1 FKAF CCCCCc1ccc([C@@]2(C3CC3)NCCc3c2c(C(C)C)nn3C)cc1 962910937 NTNZGNDANFFUPO-DEOSSOPVSA-N 365.565 5.076 0 1 FKAF CC(C)=CCC[C@H](C)[C@H](C)[C@H]1c2ccsc2CCN1Cc1cccnc1 963002020 YOGSCWCTFAWOMH-YDHSSHFGSA-N 368.590 6.261 0 1 FKAF CCCC[C@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2cccc3ccccc23)O1 72136778 PTUXSIBYNPNPKE-KKSFZXQISA-N 366.457 5.424 0 3 FKAF CCCc1nc2cc(C)c(Br)c(C)n2c1Cc1ccsc1 95569009 MSZOTYKKBODJHG-UHFFFAOYSA-N 363.324 5.318 0 3 FKAF CCCC1CCC2(CC1)CC[C@H]2OC(=O)Nc1c(OC)cccc1OC 205706712 QMHVQPGHHGRWDC-BPVAQJAMSA-N 361.482 5.391 0 3 FKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCC(=O)O 8860421 YGFYZZQGVSUXJE-HZJYTTRNSA-N 365.558 5.781 0 1 FKAF CC[C@](C)(O)CCCCCCCCCc1[nH]c2ccccc2c(=O)c1OC 14489877 HABOQMMTJQWRIU-QHCPKHFHSA-N 373.537 5.361 0 1 FKAF biogenic CCC(CC)Nc1nc(C)c(Nc2ncc(Cl)cc2Cl)nc1C 28956187 RGIVFAKJRTZQGY-UHFFFAOYSA-N 354.285 5.139 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2cccc(Oc3ccccc3)c2)n1 72101317 IGZHJFBMZPDACO-GOSISDBHSA-N 364.489 6.192 0 1 FKAF CCCCCn1c(CC(C)(C)C)nc2c(NCc3cccs3)ncnc21 82178519 DJVSPBVKPYNMMF-UHFFFAOYSA-N 371.554 5.279 0 1 FKAF Nc1cccc(SC[C@H](O)Cn2c(-c3ccccc3)cc3ccccc32)c1 84688211 QQTSPSDTJAAHJG-HXUWFJFHSA-N 374.509 5.044 0 1 FKAF Cc1ccc(Oc2ncccc2NC(=O)Nc2ccc(F)cc2F)cc1 95586705 QVTCBAKYUQZOHB-UHFFFAOYSA-N 355.344 5.105 0 1 FKAF CC(C)c1c(O[C@@H]2CCCC[C@@H]2C)cc(Cc2ccc(F)cc2)[nH]c1=O 95591880 MUDYHJQHRRARHV-HNAYVOBHSA-N 357.469 5.186 0 1 FKAF Fc1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@H]3CC[C@H](C2)S3)cc1 101389047 QYKXDVOUDRSNAP-DYESRHJHSA-N 363.457 6.059 0 1 FKAF CN1[C@@H]2CC[C@@H]1CC(O[C@@H](c1ccc(F)cc1)c1cccc(Cl)c1)C2 140120356 ISSICWWQXUMDRL-SBHAEUEKSA-N 359.872 5.210 0 1 FKAF C/C(=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1)CC/C=C(\C)C(=O)O 141690729 YBTAYKPEYLOHDQ-OKUILHSMSA-N 358.478 5.322 0 1 FKAF Cc1cccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 587015240 IBZRAZMKVYZLHL-UHFFFAOYSA-N 360.269 5.969 0 1 FKAF COc1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc(Cl)c1O 587045892 IOKODJCJQSVACZ-UHFFFAOYSA-N 366.804 5.390 0 1 FKAF CC(C)(C)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2n1 587060550 IOGIYVVBKFTFRM-UHFFFAOYSA-N 352.825 5.231 0 1 FKAF Cc1ccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1C(F)(F)F 587095171 RDJANMAOONSRDI-UHFFFAOYSA-N 360.713 5.413 0 1 FKAF Cc1ccc2c3c(cc(CN4CCCC[C@@H]4C)nc13)-c1ccccc1C2=O 587096231 FYNZAKZOTJFWIF-INIZCTEOSA-N 356.469 5.129 0 1 FKAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1O 587102597 YCRSGPJGWBOWOW-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF Cc1c(Br)cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2c1C 587115550 PGUJGSWSTIZAQI-UHFFFAOYSA-N 370.172 5.023 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)C2)c1 587131793 TZEMMQBQWBRCSV-UHFFFAOYSA-N 370.296 5.602 0 1 FKAF Brc1ccc([C@H]2CCc3nc4cccc5c4c(c3C2)CC5)cc1 587208317 PVDRSUZUXCBAGK-HNNXBMFYSA-N 364.286 5.368 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c2)c1 587233118 JBHYDJOWXCUQFE-UHFFFAOYSA-N 355.485 6.236 0 1 FKAF COc1cccc(-c2cc(CC3(OC)CCC3)nc3c2oc2ccccc23)c1 587365573 MACYHORJNXDLJH-UHFFFAOYSA-N 373.452 5.768 0 1 FKAF Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1Cl 587498311 MRLPMAALLVYBDV-KRWDZBQOSA-N 361.268 5.887 0 1 FKAF Cc1cc(OC(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587504379 IXLOJHKUMWWEDK-HXUWFJFHSA-N 372.411 5.490 0 1 FKAF CC[C@@]1(c2ccc([C@@H](C)OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526746 ZRQQBJJGLJSUMD-GYCJOSAFSA-N 364.485 5.544 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cnn(CC)c3)c2c1 587640258 GQQQYAMPFKGNLZ-NSHDSACASA-N 363.383 5.148 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)c(OC)c3)c(CN(C)C)c2c1 587641887 IHROJMBGTSDIPF-HNNXBMFYSA-N 366.505 5.427 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(F)cc(Br)c3)c(C)c2c1 587643533 VKUXFUVOPAIGNR-LLVKDONJSA-N 360.270 6.558 0 1 FKAF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587696709 RFXIFZTUBKYOMV-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c1 587780389 RMSABZMULNHAGD-UHFFFAOYSA-N 371.484 5.988 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccccc2)N1 587815185 KKYGRVSXGQMRCZ-PRPBQZHISA-N 360.270 5.051 0 1 FKAF Cc1cc(C)cc(C[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587820736 QMOWKOYHDLWXSV-DJJJIMSYSA-N 362.286 5.023 0 1 FKAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587842827 GNTYVQUWOWGUOA-HUTHGQBESA-N 368.315 5.064 0 1 FKAF CC(C)(C)c1ccc(OCc2nc(-c3ccc(F)c(F)c3)cs2)cc1 587922028 GQUHFAOFSRJGPP-UHFFFAOYSA-N 359.441 5.965 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(Cl)c(C)c3[nH]2)cc1 587933033 IWQKJXSCUAVZMD-HXUWFJFHSA-N 362.860 5.714 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)[C@@H]1C[C@@H]1c1ccccc1Cl 963242500 QEDFAYTUFTXCPD-ZHBSVVMTSA-N 353.937 6.016 0 1 FKAF Cc1nc[nH]c1CCCO[C@H](c1ccccc1)c1nc2ccccc2s1 1772651686 HCMKBNJQHJRUIH-HXUWFJFHSA-N 363.486 5.067 0 1 FKAF Cc1cnc(Nc2ccc(Cl)cc2)nc1Nc1nc2ccccc2s1 1857567857 QULQPWHMUYPLDP-UHFFFAOYSA-N 367.865 5.535 0 1 FKAF CC(C)(CCC(C)(C)[N@]1O[C@@H]1c1ccccc1)[N@]1O[C@@H]1c1ccccc1 1857623527 ZVYPDPQJQPXXNB-FAYOUJPWSA-N 352.478 5.216 0 1 FKAF C[C@]12CC[C@@H]3c4cc(-c5ccc(F)cc5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O 1857758560 BUTYRAJEMQXYHE-QNJCZANYSA-N 364.460 5.624 0 1 FKAF CC(=CC[C@H]1CNc2ccccc21)CCC=C(C)CC[C@H](O)C(C)(C)O 2356530589 GDIXRZCZAAMRNS-UGKGYDQZSA-N 357.538 5.171 0 1 FKAF O=c1oc(C2(O)CCCCC2)cc2ccc(-c3ccc4[nH]ccc4c3)cc12 61949501 NEWXIPIZSSLYFD-UHFFFAOYSA-N 359.425 5.093 0 3 FKAF C[C@@H](CCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)c1ccccc1 13833021 LWVJZNVHMMYUMN-MZLICYQSSA-N 351.534 5.576 0 1 FKAF O=C(O)CCCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 14978931 VZBUFASLTRVWLA-UHFFFAOYSA-N 361.441 5.498 0 1 FKAF CCCCC[C@@H](C)OC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C 27754530 SAZVVYBGNVECIB-QGZVFWFLSA-N 361.526 5.774 0 1 FKAF CCCSc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1 28219693 VDBRNNUPNGIDCF-UHFFFAOYSA-N 354.475 5.263 0 1 FKAF CCN(CC)C(=S)S[C@@H](CC(=O)c1ccccc1)c1ccccc1 38238249 UFIRKRAEHPFCIY-IBGZPJMESA-N 357.544 5.361 0 1 FKAF Cc1cc(Nc2ccc(-c3ccccc3)cc2)c2c(ccc3[nH]cnc32)n1 39214809 YPTCMOOBJOVVCP-UHFFFAOYSA-N 350.425 5.830 0 1 FKAF CC(C)CN[C@@H](c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 103265742 WJQLOJRKFXLWBU-JOCHJYFZSA-N 350.893 5.737 0 1 FKAF CC(C)(C)c1cc(C(=O)Nc2ccccc2)cc(C(=O)Nc2ccccc2)c1 136962690 ATPOOMJZHPUXHT-UHFFFAOYSA-N 372.468 5.489 0 1 FKAF O=c1cc(COc2ccccc2)[nH]cc1Oc1ccc(Cl)cc1Cl 141751042 OSDIBJPYAFUKRF-UHFFFAOYSA-N 362.212 5.053 0 1 FKAF CCOC(=O)c1sc(-c2ccncc2)nc1-c1ccc2ccccc2c1 169334407 JPVNBYJWOOJIBK-UHFFFAOYSA-N 360.438 5.202 0 1 FKAF CCOc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(O)cc1 169353726 ADMBNUUNWJWIBB-UHFFFAOYSA-N 356.465 6.086 0 1 FKAF COc1ccc([C@@H]2C=C(c3ccccc3)N=C3CC(C)(C)CC(=O)[C@H]32)cc1 169723768 CEPMTRVPSYXKEX-CVDCTZTESA-N 359.469 5.280 0 1 FKAF CC[C@@]1(C)C[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586892056 SYHCIPUBFHJIHQ-OQPBUACISA-N 363.177 5.128 0 1 FKAF CCc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1Br 586977405 NDNRDPVAZGXUGH-UHFFFAOYSA-N 369.184 5.574 0 1 FKAF CC(C)[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@@H]1C 586991196 QXXFUEUMJIVJOK-XJKSGUPXSA-N 357.453 5.159 0 1 FKAF COc1nccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587048087 QCYWBVWLILPUAU-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF Cc1cnc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 587073226 HIDSZEBBXOUTMT-XMHGGMMESA-N 373.887 6.093 0 1 FKAF Cc1cc(Br)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 587084669 QADFEFNYQDEIKQ-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF Cc1c(Cl)ccnc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103111 CIPMWQSJAKIZOW-UHFFFAOYSA-N 356.812 5.470 0 1 FKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cccc(F)c3[nH]2)cc1F 587150122 KNFVSJZFRLLRCL-IBGZPJMESA-N 354.331 5.149 0 1 FKAF Cc1ccc(C)c2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 587150614 MNAOXSSZPGMIOG-NRFANRHFSA-N 364.395 5.626 0 1 FKAF Cc1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2c1 587153156 WPBDPFHZYUVVLF-WDEREUQCSA-N 363.205 5.183 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC(C)C)c1)CC2=O 587481867 IKTXECUACDEXQC-QFIPXVFZSA-N 354.446 5.013 0 1 FKAF COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(C)C 587520486 CTQPQZFEXOTNPH-OAQYLSRUSA-N 366.457 5.068 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)F)cc1 587556972 PNYUTZOBOQTLTK-XLIONFOSSA-N 368.335 5.033 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(Br)cc(F)c2[nH]1 587950280 AQQNQKSAAJHPCE-GMXABZIVSA-N 369.278 5.511 0 1 FKAF CC(C)Sc1ccc([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)cc1 963102572 DGQLBWHHZKVKQY-LJQANCHMSA-N 366.357 5.903 0 1 FKAF COc1ccc(C(=O)O[C@H]2CC(C)=CCCC(C)=C[C@H]3[C@@H]2C3(C)C)cc1 1857742758 PSEUVXLMKIAASF-ACRUOGEOSA-N 354.490 5.569 0 1 FKAF CCCCNCc1cc(-c2ccccc2F)n2c1cnc1cc(F)ccc12 1857753108 KKXYABLQIOJJTN-UHFFFAOYSA-N 365.427 5.322 0 1 FKAF CC(C)=CCC[C@](C)(O)[C@H]1CC=C(C)CCC=C(CO)CCC=C(C)CC1 2356646969 VUURSWUKVPJIET-RPBOFIJWSA-N 374.609 6.656 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 13298358 RPKLZQLYODPWTM-PZRIOYOQSA-N 360.582 6.536 0 1 FKAF CCCC[C@H]1Cc2cc(OC)ccc2-c2c(C=O)c3cc(OC)ccc3n21 13606365 IZQSEKJZYJBIBS-INIZCTEOSA-N 363.457 5.425 0 1 FKAF COc1ccc([C@H]2C[C@@H](c3ccccc3)Oc3c(C)ccc(C(C)C)c32)cc1 13829846 SKNHBIKYZAIJSJ-RPWUZVMVSA-N 372.508 6.783 0 1 FKAF O=C(CCCCCCc1ccc(Cl)cc1)c1ncc(-c2ccccn2)o1 14979900 CTRAZMWATUGBEI-UHFFFAOYSA-N 368.864 5.766 0 1 FKAF CC(C)(C)c1ccc(C(=O)N2CCCC(c3ccc(Cl)cc3)=N2)cc1 27550759 WXHAVGBTHCJDFD-UHFFFAOYSA-N 354.881 5.278 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1CCc2cc(O)ccc2C1 27622097 HVCFPRYPNNIRLL-IHCCZTBUSA-N 366.589 7.697 0 1 FKAF CC(C)(C)c1ccc(Oc2cccc(/C=C3/SC(=O)NC3=O)c2)cc1 28703307 WRHRBZBFFREDST-SFQUDFHCSA-N 353.443 5.100 0 1 FKAF O=C(CCCCCCc1ccccc1)c1ccc(-c2cccs2)nn1 40917909 MUPSDGWMQPJXKG-UHFFFAOYSA-N 350.487 5.581 0 1 FKAF CCCc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C(C)=O)c1 40976663 ABKGSVATMHITOO-UHFFFAOYSA-N 365.429 5.199 0 1 FKAF O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3Cl)c2)cc1 66111581 IGUHNQJKNPCQFF-UHFFFAOYSA-N 366.844 5.603 0 1 FKAF CCCCCCN(CCCCCC)C(=O)c1cc(-c2ccccc2)on1 72116265 IOYKDQOGJUGAMK-UHFFFAOYSA-N 356.510 5.944 0 1 FKAF CCCCCNc1ncnc2c1nc(-c1cccs1)n2C[C@H](C)CC 82186633 WIKKSEVNDQBZHJ-CQSZACIVSA-N 357.527 5.203 0 1 FKAF CCCCC(CCCC)(c1ccc(O)c(CC)c1)c1ccc(O)c(CC)c1 96923027 KAVFLUSOBWUDAS-UHFFFAOYSA-N 368.561 6.889 0 1 FKAF COc1ccc([C@@H]2Nc3cc(C)ccc3N=C3CC(C)(C)CC(O)=C32)cc1 104698549 WCPOBBLQMGNJPM-QFIPXVFZSA-N 362.473 5.875 0 1 FKAF CCCCC[C@H](O)/C=C/[C@@H]1C[C@H]2C[C@@H](S2)[C@@H]1C/C=C/CCCC(=O)O 145555918 OVGWMUWIRHGGJP-JVCJGEKZSA-N 366.567 5.195 0 1 FKAF in-vitro Fc1ccc([C@H]2C[C@@H]3CC[C@@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1 169335821 LSHLQBBAJNMIOH-KKXYHZGYSA-N 365.473 6.016 0 1 FKAF Cc1ccc(Nc2nnc([C@@H](C)Oc3ccc(Br)cc3)o2)cc1 169702756 YLTHDMZUKXKFFK-GFCCVEGCSA-N 374.238 5.024 0 1 FKAF O=C(CCC[N+]1=CC=C(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 299854413 YKUJOZSNBKOYRZ-UHFFFAOYSA-N 356.848 5.013 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)CC1 586880467 LGWDUKNURAWMOO-WKILWMFISA-N 367.924 6.742 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)cc1 586898032 FGPLTMMLJLAKRV-UHFFFAOYSA-N 355.224 5.909 0 1 FKAF CCCC(Br)(CCC)c1nc2cccc(Br)c2[nH]1 586970866 LBKKXXLHGAFOOB-UHFFFAOYSA-N 374.120 5.516 0 1 FKAF Fc1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1Br 587025060 FKNBEAVCCBJPTE-UHFFFAOYSA-N 373.250 5.860 0 1 FKAF FC(F)(F)Sc1ccc(/C=C/c2nc3cccc(Cl)c3[nH]2)cc1 587124130 INUGYIAWYFQFQN-RMKNXTFCSA-N 354.784 5.999 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(F)c(F)c3[nH]2)c1 587158219 ACYDOWRURAJNSI-UHFFFAOYSA-N 368.358 5.247 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc4c(s3)CCC4)nc3cccc1c23 587208560 UYZBPXYGJVIECL-UHFFFAOYSA-N 353.446 5.663 0 1 FKAF Cc1cccc(COc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2F)c1 587210574 RMRMPNPZZOYVSM-UHFFFAOYSA-N 369.439 6.027 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1Sc1ccccc1)[C@@H](C2)C3=O 587449725 CKRQVBRBJHKKLD-MBSDFSHPSA-N 374.461 5.335 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CC1CCCCCC1 587602393 JUPWMUQTDAGWIB-UXHICEINSA-N 352.430 5.083 0 1 FKAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl 587698623 ZFVWYEWJCRIWMF-BMLIUANNSA-N 368.677 5.174 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(Br)cc2[nH]1 587951146 SEIIVBKMYSKKCK-GHJWDPDVSA-N 351.288 5.372 0 1 FKAF Fc1cc(Br)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 587951570 PHQNMRYCHGFPAQ-UHFFFAOYSA-N 361.214 5.063 0 1 FKAF c1ccc(Sc2ccc3nc(C[C@@H]4C[C@H]4c4ccccc4)[nH]c3c2)cc1 587959486 FKFROEVUQVXJLB-PXNSSMCTSA-N 356.494 6.060 0 1 FKAF COc1ccc2c(c1OC)[C@H](c1ccccc1-c1ccccc1)N(C)[C@H](C)C2 962631060 IYXDAQCJXPKPQK-OSPHWJPCSA-N 373.496 5.337 0 1 FKAF CC(C)c1cc(O)ccc1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962993272 AOSPDMQMCFFGIU-JOCHJYFZSA-N 364.514 5.120 0 1 FKAF Clc1ccc(-c2cc(-c3cccs3)c3oc4ccccc4c3n2)cc1 1772610463 IWBGIUQFICGJGJ-UHFFFAOYSA-N 361.853 7.030 0 1 FKAF CSc1ccc(CN2CCC(F)(F)[C@@H](CCc3ccccc3)C2)cc1 1772622020 IVQYNOJTBIAFAN-IBGZPJMESA-N 361.501 5.499 0 1 FKAF Cc1cc(OCc2ccccc2SC(F)(F)F)ccc1CCC(=O)O 1772622415 YGUAMWNBQGXDCP-UHFFFAOYSA-N 370.392 5.203 0 1 FKAF Cc1ccc2nc(N3CCc4c([nH]c5ccc(Cl)cc45)C3)sc2c1 1857602152 BKCSOLYOZIOSCD-UHFFFAOYSA-N 353.878 5.302 0 1 FKAF CC1(C)OC[C@H]([C@]2(C)C=C3CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@H]3CC2)O1 2356774882 FJZIWOWYBFGDBI-FPZPBXSISA-N 362.554 5.078 0 1 FKAF C[C@](O)(c1ccc(F)c(F)c1)c1nc(-c2ccc3ccccc3c2)cs1 61927510 ZUTZZXWHGKRCGS-NRFANRHFSA-N 367.420 5.497 0 3 FKAF Clc1ccccc1-c1nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2[nH]1 5974386 FZJWQYMWEVJTFT-UHFFFAOYSA-N 362.904 6.351 0 1 FKAF c1ccc(-c2cc(-c3ccccc3)[n+](-c3cc[nH]n3)c(-c3ccccc3)c2)cc1 13472107 OKNUWULHZMMVQQ-UHFFFAOYSA-N 374.467 5.687 0 1 FKAF O=C(CCCCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1 13611932 URDDIAAUTHEBLU-UHFFFAOYSA-N 362.473 5.893 0 1 FKAF Cc1ccc(N2C(=O)[C@H](c3ccccc3)N(c3ccc(C)cc3)C2=S)cc1 13680178 GLKVKZHCCAPKIW-NRFANRHFSA-N 372.493 5.183 0 1 FKAF CCCN(CCC)CCc1ccc(Cl)cc1OCCc1ccccc1 13795745 NTRDLGCZJKGEAG-UHFFFAOYSA-N 359.941 5.626 0 1 FKAF c1ccc(CN2CCC[C@@H](c3c(-c4ccccc4)[nH]c4ccccc34)C2)cc1 13862729 RXGPCIHYSMKIRI-JOCHJYFZSA-N 366.508 6.215 0 1 FKAF in-vivo CC(C)=CCc1cc(C(=O)c2cccc(O)c2CC=C(C)C)c(O)cc1O 14780683 SPKHVSDLQSVOCD-UHFFFAOYSA-N 366.457 5.052 0 1 FKAF biogenic,in-vitro O=c1[nH]c(-c2cc(Cl)cc(Cl)c2)c(-c2cc(Cl)cc(Cl)c2)[nH]1 25975775 XWVXSUUCHLKHGW-UHFFFAOYSA-N 374.054 5.651 0 1 FKAF CCCCC[C@](C)(O)/C=C/[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C/C=C\CCCC(=O)O 27556736 ZVXFCSQGGXYOEG-KDRCTDCNSA-N 362.554 5.737 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(OC(F)(F)C(F)F)cc3)nc2c1 29040543 HHHJUTSVZVJDHK-UHFFFAOYSA-N 366.358 5.764 0 1 FKAF COc1cccc2c1CCC[C@H]2OCCN1CCC(C2CCCCC2)CC1 45261983 KLNBYXPVESPEMQ-XMMPIXPASA-N 371.565 5.382 0 1 FKAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](C)(Cl)C3 45357257 XYKQSUPGPOPNKN-IIDSPLMYSA-N 352.946 5.570 0 1 FKAF Clc1ccc(-c2cc(-c3ccco3)cc(-c3ccc(Cl)s3)n2)cc1 45388735 MLTJSBVTADPXRP-UHFFFAOYSA-N 372.276 7.044 0 1 FKAF CCCCc1ccc(-c2cc(NCCc3ccc(CC)cc3)ncn2)cc1 82162035 POGRQFZWSMKPQN-UHFFFAOYSA-N 359.517 5.703 0 1 FKAF CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 95560688 GOKKVHKQHFMMKY-HXUWFJFHSA-N 364.445 5.319 0 1 FKAF FC(F)(F)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 95573779 FKBCTHHIJQPFNE-UHFFFAOYSA-N 365.358 6.059 0 1 FKAF COc1cccc([C@@H]2CC3=Nc4ccc(F)cc4SC3=C(O)C2)c1OC 100796331 AFXLXGZTGSVEEW-LLVKDONJSA-N 371.433 5.368 0 1 FKAF C/C1=C/C/C=C(\C)CC[C@@](O)([C@H](C)CC/C=C(\C)CO)CC/C(C)=C/CC1 238741709 JWZHMTWWNSZMAZ-MAGDGQIFSA-N 374.609 6.656 0 1 FKAF Cc1cc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)[nH]c2cc1C 586879830 SAJDNRUUAGROTC-UHFFFAOYSA-N 356.425 5.520 0 1 FKAF CCCc1c(-c2cccnc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988444 RPXQPQNSVQNQHI-UHFFFAOYSA-N 366.420 5.166 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc4ncccc4c3)nc3ccc(O)c1c23 586988899 ZFGAMLXNNXGQRG-UHFFFAOYSA-N 374.399 5.367 0 1 FKAF Cc1cc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1 586990721 FRTXSOHHWQSIGA-UHFFFAOYSA-N 365.432 5.744 0 1 FKAF FC(F)(F)c1c(Br)ccc2nc(/C=C/c3ccsc3)[nH]c12 587026551 VMDPBPDFNOUTTC-DAFODLJHSA-N 373.197 5.576 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587033011 OZBBGGQVBHBEPR-UHFFFAOYSA-N 361.514 5.868 0 1 FKAF FC(F)(F)c1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Cl 587081506 XYMUVBWSSPQOPA-CQSZACIVSA-N 373.161 5.565 0 1 FKAF Fc1cnc(Cl)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c12 587082747 FEFIIMGNARSEDO-UHFFFAOYSA-N 367.598 5.272 0 1 FKAF C[C@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1C(F)(F)F 587098112 NNQQFTYCHRCUHT-VIFPVBQESA-N 374.284 5.632 0 1 FKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(Cl)ncc2[nH]1 587128841 RPMCIJFKJHTYMS-UHFFFAOYSA-N 362.792 5.339 0 1 FKAF Fc1cc(CCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc(F)c1F 587139145 XSPFBYBIOFDVRJ-UHFFFAOYSA-N 368.358 5.558 0 1 FKAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587169048 RIOPCNIFNIHPAC-SECBINFHSA-N 356.344 5.454 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](OC)C3)c1 587366092 RGZDOPRXCKBGAM-INIZCTEOSA-N 359.425 5.160 0 1 FKAF CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1-c1ccccc1 587398629 FUZUFAFIESFMOW-QHCPKHFHSA-N 373.452 5.349 0 1 FKAF CC[C@@H](C)c1ccc([C@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587446410 WOBCZHONNCCNBA-FOZYCNAUSA-N 350.458 5.262 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1cccc(F)c1)(C(C)(C)C)CC2=O 587465701 GCBXFLOMAZZIBG-QFIPXVFZSA-N 356.437 5.391 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(C3CCCCC3)s1)CC2=O 587494919 MLUHYBZJFALCIG-GOSISDBHSA-N 371.502 5.555 0 1 FKAF C[C@]1(c2cc3cc(F)ccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587510033 UIEMSPRFKBZXKQ-JOCHJYFZSA-N 350.389 5.331 0 1 FKAF CCCCC/C=C/CC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603960 SNQPQQQXEBQYFS-GXGIYUIGSA-N 366.457 5.639 0 1 FKAF CC/C=C/CCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587817270 BBFFSUXSCRRMCS-FSEUQFBXSA-N 368.334 6.080 0 1 FKAF Oc1ccc(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 587938253 RYQIMQOWHOEHLB-UHFFFAOYSA-N 357.409 5.135 0 1 FKAF CC(C)[C@H]1C[C@]2(c3ccccc31)c1ccsc1CCN2Cc1ccco1 962711686 UOBWCGROTKVTSU-XXBNENTESA-N 363.526 5.786 0 1 FKAF C[C@@H](c1cc(F)cc(F)c1)[C@@H]1c2ccsc2CCN1Cc1ccco1 962717954 WASVXHZOWWXRMZ-RNODOKPDSA-N 359.441 5.522 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(Cl)ccc1OCC(C)C 963230818 AYPXMJSLVGPKST-GAJHUEQPSA-N 371.952 6.121 0 1 FKAF CN1N=C(c2ccncc2)C[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 1857632339 OSFSEWXGSKBSJN-OAQYLSRUSA-N 352.441 5.011 0 1 FKAF Fc1ccc2nc(-c3cc(-c4ccccc4)nn3-c3ccccc3)ccc2c1 1857751960 BJYBYBFVFGOQMV-UHFFFAOYSA-N 365.411 5.894 0 1 FKAF CC(C)CNC(=O)C=CCCCCCCCC=Cc1ccc2c(c1)OCO2 2356504069 DBXHHZYPPITMCW-UHFFFAOYSA-N 371.521 5.488 0 1 FKAF CC(=O)OC[C@H](O)[C@](C)(O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 2356669043 LKUWCXZFCSWEPD-BLKABHOGSA-N 372.590 5.101 0 1 FKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(N(C)C)cc1 13813992 FNJFNHDFRWFODW-UHFFFAOYSA-N 369.464 5.810 0 3 FKAF aggregator CCCc1nc2cc(C)c(Br)c(C)n2c1CC1CCCCC1 95570770 IKTHPUGUSTVKPX-UHFFFAOYSA-N 363.343 5.789 0 3 FKAF Cc1ccc(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 10697290 HIKBYDLABOMECE-UHFFFAOYSA-N 358.466 5.453 0 1 FKAF CCc1nc2c(-c3ccc(Cl)cc3Cl)nccc2n1[C@@H](CC)C1CC1 11689518 ZGJWSJXILFPHDI-INIZCTEOSA-N 374.315 6.329 0 1 FKAF CC/C(=C(\c1ccccc1)c1ccc(/C=C/C(N)=O)cc1)c1ccccc1 13736714 QIWNCEGBUJPBSM-DDJBQNAASA-N 353.465 5.554 0 1 FKAF Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCc2cccnc2)c1 26019513 PRAFMPSNKSFDCZ-UHFFFAOYSA-N 355.485 5.179 0 1 FKAF CCCn1c(-c2c[nH]c3ccccc23)c(-c2c[nH]c3ccccc23)oc1=O 26502380 HALBSDWAGTXGFC-UHFFFAOYSA-N 357.413 5.148 0 1 FKAF CC[C@@H](C)N(C)C(=O)c1cc2cccc(-c3ccccc3Cl)c2cn1 28123448 GXIFSPGRAJNGQG-CQSZACIVSA-N 352.865 5.426 0 1 FKAF C/C=C(/c1ccccc1OCc1ccc(Cl)c(Cl)c1)n1ccnc1 28766286 RDBSEWJOKKJDSV-VKNLYSTLSA-N 359.256 5.678 0 1 FKAF Cc1[nH]c(C)c(-c2ccc(-c3ccc(C(F)F)cc3)nc2)c(=O)c1Cl 45195062 NOKSHIPMYORDSO-UHFFFAOYSA-N 360.791 5.312 0 1 FKAF CC(C)(C)c1ccc([C@@H](O[C@@H](CN)c2ccccc2)c2ccccc2)cc1 45391505 FUAZOBTVSMDITA-ZEQRLZLVSA-N 359.513 5.790 0 1 FKAF Cc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccccc2)oc1C 82162538 KEAMIPMNIKYWKF-AUUYWEPGSA-N 362.477 5.406 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NCCC[C@]4(C)[C@H]3CC[C@@]21C 96914256 UCHPGGJBWXZJQO-XHGRUUOTSA-N 373.669 7.060 0 1 FKAF CCCCCCc1ccc([C@@H]2COC(c3c(F)cccc3F)=N2)cc1F 103287658 LJDUFUFRQHJWCQ-IBGZPJMESA-N 361.407 5.745 0 1 FKAF Cc1ccc([C@@H](C[C@@H](N=O)c2ccncc2)c2ccc(N(C)C)cc2)cc1 169730236 MITMTGJJFPFSEA-DHIUTWEWSA-N 359.473 5.486 0 1 FKAF Cc1ccc(-c2cnc(C3(NCc4ccc(Cl)cc4)CCCC3)[nH]2)cc1 473086103 AUJYURRKRHYKNA-UHFFFAOYSA-N 365.908 5.598 0 1 FKAF Cc1cc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c(C)n1 587049702 DPKZWSBAPXEDCM-UHFFFAOYSA-N 358.228 5.809 0 1 FKAF Fc1cnc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 587051190 YJUOWXBUJONGDB-UHFFFAOYSA-N 373.818 6.238 0 1 FKAF Fc1c(F)c(F)c2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2c1F 587054734 QPTAJFMPIQWVHK-PLNGDYQASA-N 361.125 5.597 0 1 FKAF Cc1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(F)c1 587146598 SALHCDHFWRRRPZ-UHFFFAOYSA-N 373.147 5.459 0 1 FKAF CC(C)(C)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2n1 587150779 SLDZOENBYXPHPB-HXUWFJFHSA-N 374.463 5.596 0 1 FKAF Fc1cc(Cl)cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587196896 YUGMIXJVNVJWBX-UHFFFAOYSA-N 365.839 5.562 0 1 FKAF Brc1ccc([C@@H]2CCc3nc4cccc5c4c(c3C2)CC5)cc1 587208318 PVDRSUZUXCBAGK-OAHLLOKOSA-N 364.286 5.368 0 1 FKAF O=C(CCc1c(-c2ccccc2)nc2cccc3c2c1CC3)c1ccccc1 587214253 PSEIYDQGBQUNSO-UHFFFAOYSA-N 363.460 5.816 0 1 FKAF CCCC[C@@H]1Cc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587528150 YMDQSGADDCUGKA-KBMIEXCESA-N 360.497 5.789 0 1 FKAF CCCCC[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602412 XJKVPFLZXZVQFT-WMZHIEFXSA-N 368.473 5.719 0 1 FKAF Cc1c(-c2ccc(-c3ccccc3F)cc2)[nH]c2cc(Cl)c(F)cc12 587629635 VBRULDYKSIEHCO-UHFFFAOYSA-N 353.799 6.742 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)c(F)c3)c(CN(C)C)c2c1 587642268 MBDLPLSGIJOGGD-CQSZACIVSA-N 354.469 5.558 0 1 FKAF CC(C)CC1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813967 RHTLHYJTBRJBRW-ZDUSSCGKSA-N 356.323 5.410 0 1 FKAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cnc(Cl)c(Cl)c1 653716276 MYOSGIZMCZZDMS-UHFFFAOYSA-N 351.020 5.339 0 1 FKAF COc1ccc(OC(=O)c2c(-c3ccccc3)sc3c2CCCC3)cc1 1772583686 CPMXWAJODLZXDN-UHFFFAOYSA-N 364.466 5.522 0 1 FKAF CC(C)=CCCC(C)=CCC[C@]1(C)C=Cc2c(cc(C)c(C(=O)O)c2O)O1 2356466146 UYLFTJMQPWWDCW-HSZRJFAPSA-N 370.489 6.036 0 1 FKAF CC(=CCC[C@H](C)[C@]1(O)CCC(C)=CCC=C(C)CCC=C(C)CC1)CO 2356479945 JWZHMTWWNSZMAZ-DQEYMECFSA-N 374.609 6.656 0 1 FKAF CC(=CCCC1=CC(=O)OC1)CCC=C(C)CC[C@]1(C)C(C)=CCC[C@H]1C 2356605056 QKFVAMNZQMXWPV-RCZVLFRGSA-N 370.577 7.085 0 1 FKAF CC1=C2CC[C@H](C)[C@@H]2[C@H](O)[C@]2(C)CC[C@]3(C)CCC(C)(C)C[C@H]3[C@H]2CC1 2356754580 AKSFJIXKSLGFLQ-QQLTWJHNSA-N 358.610 6.753 0 1 FKAF COC(=O)C[C@@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(OC)c(O)c12 2356767103 PEMXBDYXGOJWNI-SBUREZEXSA-N 374.521 5.098 0 1 FKAF O=C(O)C[C@@H]1CCC[C@H]2c3cc(F)ccc3N(Cc3ccc(Cl)cc3)[C@@H]12 5161862 USFMJLOJQLMDAA-LFRPXUGBSA-N 373.855 5.226 0 1 FKAF in-vitro CCC/C=C/CCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 27763860 QWDZLNDAIUPCIA-RLFQVEEXSA-N 354.534 6.682 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC[C@@]21C 33820862 TYXMQFBZGAEZPJ-JVYWEBAWSA-N 372.549 5.635 0 1 FKAF CCCN(CCC)Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1 40847417 XPSRUUSBAMWRQV-UHFFFAOYSA-N 364.577 5.962 0 1 FKAF CCCN(CCC)[C@H]1CCc2c(cccc2-c2cccc3ccccc23)C1 45357278 ZDLOUKWUMDONOK-QFIPXVFZSA-N 357.541 6.486 0 1 FKAF CCCN1COc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2C1 95573878 SBQWGEMDWMMJAB-UHFFFAOYSA-N 353.853 5.194 0 1 FKAF O=C(O)C1(Sc2ccnc3ccc(-c4ccccc4F)cc23)CCC1 220121335 GRBRYCKMGXMVRY-UHFFFAOYSA-N 353.418 5.140 0 1 FKAF C/C1=C\CC(C)(C)/C=C/C/C(COC(=O)/C=C/c2ccc(C)cc2)=C/CC1 238775553 ZWLXFBYSDMETNJ-XDSDKZIZSA-N 364.529 6.581 0 1 FKAF O=c1ccc2cc(OCc3cc(-c4ccc5ccccc5c4)no3)ccc2o1 299826193 UDEAOXYDTZUZKW-UHFFFAOYSA-N 369.376 5.180 0 1 FKAF COc1cc2nc(C)c(-c3ccc(C(C)(C)C)cc3)c(O)c2cc1Cl 299829429 UUQMUGIJVLINFU-UHFFFAOYSA-N 355.865 5.875 0 1 FKAF CCNc1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1 299834411 IZIMYLBKGQBQNO-UHFFFAOYSA-N 366.852 5.478 0 1 FKAF OCCCCCCCCCCCc1nc2cccc(Br)c2[nH]1 586894684 QQMGXMVVQLEECS-UHFFFAOYSA-N 367.331 5.371 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1cc(F)c(F)cc1C4)-c1ccccc1C2=O 586996950 WUVBJLUISHGWIE-UHFFFAOYSA-N 369.370 5.604 0 1 FKAF CCC[C@@H](C)OC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098536 ZJNYUEWUQBCQBV-OAHLLOKOSA-N 373.452 5.029 0 1 FKAF Cc1c(Cl)ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587149913 OLAINJKNYBYWEA-FQEVSTJZSA-N 365.839 5.865 0 1 FKAF Nc1ccc2oc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cc2c1 587251352 DTCXYGNQRYYHAB-UHFFFAOYSA-N 351.715 5.231 0 1 FKAF COc1cccc(-c2cc(CC(C)(C)OC)nc3c2oc2ccccc23)c1 587363263 QPMXKIPNBWCWJL-UHFFFAOYSA-N 361.441 5.624 0 1 FKAF CC[C@@H]1CCCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587366938 OMXCUNOEYZVWII-OAHLLOKOSA-N 357.453 6.487 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(C1CCCC1)O2 587377040 GDMBGOYXEOOCJA-OAQYLSRUSA-N 355.865 5.282 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1cc(C)n(C4CCCCC4)c1C)[C@@H](C2)C3=O 587430009 FMMHPBSNHBURKS-WMZHIEFXSA-N 365.473 5.107 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(O)c(Cl)c1)CC2=O 587462105 WGLWLJJUEGTYRK-MRXNPFEDSA-N 367.228 5.064 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2occ(C)c21 587484114 RXIGKIWLVDPQBA-QFIPXVFZSA-N 354.446 5.079 0 1 FKAF CCCOc1ccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587485377 VZRCZJFEPHXPFH-JOCHJYFZSA-N 354.446 5.014 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1cccnc1)CC2=O 587489982 NOTODQQLSRSEFZ-JOCHJYFZSA-N 359.425 5.113 0 1 FKAF O=C1C[C@]2(CCC[C@@H]2c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587509407 RMTPFDMNJFFQKX-OFNKIYASSA-N 350.433 5.376 0 1 FKAF CCOc1ccc(OCC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525114 QBSRRFABXLUTMY-JOCHJYFZSA-N 366.457 5.069 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2c1ccccc1 587602559 IPDJJFQLUQNSDR-NSXLHWASSA-N 372.420 5.060 0 1 FKAF Cc1cc(Cl)cc2c([C@H]3CCCN3C(=O)OC(C)(C)C)c(C3CC3)[nH]c12 587627353 SWKXQLOHJOCWON-MRXNPFEDSA-N 374.912 6.079 0 1 FKAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)s1 587630294 XZFIWXBASABRKD-UHFFFAOYSA-N 361.747 5.580 0 1 FKAF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc([C@@H](C)CC)cc23)cc1 587641671 ODKVGPFMXTYETE-ZDUSSCGKSA-N 373.418 6.494 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c([C@H](C)C(=O)O)c2c1 587642119 OTQIJMBGTJDWIS-OLZOCXBDSA-N 355.865 6.190 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccc(F)c3)c2c1 587642130 OWRHABKYWFLXQG-NSHDSACASA-N 363.354 6.070 0 1 FKAF Cc1ccc2[nH]c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587805364 UAAVOMBIZMMNSO-WYRIXSBYSA-N 373.269 5.002 0 1 FKAF CC[C@@]1(C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587818750 JCSOCLDYYPWZJL-XIKOKIGWSA-N 354.307 5.308 0 1 FKAF C[C@H](C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)CC(C)(C)C 587821792 XQSPHNACGPRWJB-LALPHHSUSA-N 356.323 5.626 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc(C)cc1Cl 587869515 LJVFROHSYVUFTB-UHFFFAOYSA-N 373.815 5.130 0 1 FKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(C)c(Br)cc2[nH]1 587931353 SDWKKRGSGGKUJH-ORAYPTAESA-N 371.278 5.088 0 1 FKAF CC[C@]1(Cc2nc3ccc(OC(C)C)cc3[nH]2)CC(=O)c2ccccc2C1 587959832 IFOPSFLQEGDENP-HSZRJFAPSA-N 362.473 5.118 0 1 FKAF CC/C(=C\c1nc2ccc(Br)c(C)c2[nH]1)c1ccc(C)cc1 587968456 SWZBPAMVNFCUTN-SDNWHVSQSA-N 355.279 5.893 0 1 FKAF C/C(=C\c1nc2cc(Br)cc(Cl)c2[nH]1)C1CCCCC1 587969517 YPXDHUPDGHKEFX-JXMROGBWSA-N 353.691 5.962 0 1 FKAF COc1cccc([C@H](C)Nc2cc(-c3ccc4occc4c3)nc(C)n2)c1 653758388 RCRDQTWQLNQYMF-AWEZNQCLSA-N 359.429 5.380 0 1 FKAF Cc1cccc(C)c1N1CCN(CCCOc2ccc3ccccc3c2)CC1 1857656073 GEINATSEBLDHNX-UHFFFAOYSA-N 374.528 5.048 0 1 FKAF CC(=O)Nc1ccc(-n2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1 1911584517 ALBUXAJYLFWRHK-UHFFFAOYSA-N 361.832 5.304 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356478537 HWRYKNYRSRPFPM-RCKDXRLBSA-N 372.637 6.855 0 1 FKAF Cc1ccc(-c2nc(CN(C)Cc3cccc4cnccc34)c(C)o2)s1 12835056 BMVGUQCREHHWKN-UHFFFAOYSA-N 363.486 5.200 0 3 FKAF O[C@@H](C[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1660726 TVYRTICGBVJCSU-SFTDATJTSA-N 357.280 6.249 0 1 FKAF COc1ccc(/C(C)=C/c2ccc(C(=O)O)cc2)cc1C1(C)CCCCC1 13745069 QANMIASYTMOQAE-BMRADRMJSA-N 364.485 6.176 0 1 FKAF O[C@H]1CCCc2nc3ccccc3c(NCc3cccc(C(F)(F)F)c3)c21 14946514 BCLCATIAJDFAPY-SFHVURJKSA-N 372.390 5.235 0 1 FKAF C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)N(C)C 28344007 ZZGVWUSRXVYCSC-VGSWGCGISA-N 365.521 5.001 0 1 FKAF C[C@H]1CC[C@H](n2nncc2-c2cc(-c3ccccc3)sc2C(=O)O)CC1 101916035 RKUUHFVPWHELPT-OTVXOJSOSA-N 367.474 5.123 0 1 FKAF Fc1cc(F)cc(CC[C@@H]2CCC[C@H](CCc3cc(F)cc(F)c3)N2)c1 103297292 LHHBKXHRLUHBQZ-OYRHEFFESA-N 365.414 5.319 0 1 FKAF Cc1ccc2c(c1)c1c(n2CCCNCc2ccc(Cl)cc2)CCCC1 103298749 PQKIKZCTWPBEHA-UHFFFAOYSA-N 366.936 5.662 0 1 FKAF COc1ccc(-c2cc3ccccc3nc2[C@@H](O)c2ccc(OC)cc2)cc1 169312341 WPYDAINFKPXOMM-DEOSSOPVSA-N 371.436 5.001 0 1 FKAF CCNC(=O)/C=C(C)/C(F)=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C 169317435 LBDLWVQZFANZAR-GTLSIILASA-N 371.496 5.516 0 1 FKAF O=C1c2ccccc2N[C@H](c2cc3ccccc3s2)N1c1ccccc1 206843640 SLYARHVBSJWIKR-NRFANRHFSA-N 356.450 5.672 0 1 FKAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3c(F)cccc23)c2ccccc2)c1 218330381 KUOWOXBFGIZFIP-OAQYLSRUSA-N 374.415 5.352 0 1 FKAF Cc1c(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586904961 DZDNKZGEEHTKON-LBPRGKRZSA-N 368.380 5.113 0 1 FKAF Cc1ccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2c1C 587065069 KGGKFOKIOHEGFO-UHFFFAOYSA-N 350.853 5.303 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cnc(Cl)[nH]c-2n1 587073847 MEPVOLJCBKOLST-UHFFFAOYSA-N 355.228 5.254 0 1 FKAF CC(=O)Nc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587104927 XILKQPAKGFPFCC-UHFFFAOYSA-N 364.404 5.072 0 1 FKAF Fc1c(Br)ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c12 587114108 VQCKYLXSVDQZOT-UHFFFAOYSA-N 359.120 5.150 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(Cl)cnc4[nH]3)ccc2F)cc1 587139510 MSVBYXSLSJUHSX-UHFFFAOYSA-N 365.795 5.287 0 1 FKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Cl)ccnc3[nH]2)cc1F 587151707 TVLLEDFGHQKEMD-QGZVFWFLSA-N 371.774 5.058 0 1 FKAF Cc1cccc2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355371 USWUWPUPEAXAKX-LADGPHEKSA-N 374.411 5.040 0 1 FKAF O=C1C[C@@]2(CCCc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587501672 PVSKWIIVJXMVBJ-JOCHJYFZSA-N 352.861 5.416 0 1 FKAF CC(C)COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523064 MXOGXBWUHWYXBG-JOCHJYFZSA-N 350.458 5.307 0 1 FKAF Cc1ccccc1-c1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525427 PSFTUDLSSXZMAW-RUZDIDTESA-N 368.476 6.247 0 1 FKAF CCCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587613857 QTVNAXNDUAKBTM-WIYYLYMNSA-N 366.438 5.109 0 1 FKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCCN(C)C 587625137 AGYLSADCJUJKAJ-UHFFFAOYSA-N 352.322 5.008 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cnn(C)c3C)c(C(=O)C(F)(F)F)c2c1 587640825 JPKWOVGGSSCBQP-SNVBAGLBSA-N 363.383 5.135 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]3CCCC[C@@H]32)N1 587816935 GBURXCZJTKTGRT-BFDPJXHCSA-N 366.318 5.308 0 1 FKAF CCCC[C@H](CC)C[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587817218 AKZFKXIHWGICJS-LXIYXOSZSA-N 356.323 5.770 0 1 FKAF O=C(Nc1ccc(-c2ccccc2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874755 JRCKMVOKAPZERI-UHFFFAOYSA-N 371.371 5.542 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(C(F)(F)F)nc3)n2)cc1 587924568 CYXNZMSWGNYNIO-UHFFFAOYSA-N 352.406 5.613 0 1 FKAF CC(C)(C)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2n1 587949418 FXIQNUUJNJNTJX-UHFFFAOYSA-N 357.457 5.639 0 1 FKAF C[C@@H]1C[C@@H](C)CN(CCCCC(=O)n2c3ccccc3c3ccccc32)C1 653687476 RECOEEREFSFUIN-RTBURBONSA-N 362.517 5.583 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1ccc(-c2c(F)cccc2F)o1 963091632 JBXBWAOAHMASCF-IVZQSRNASA-N 369.386 5.474 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc3ccccc3n2)c1 1772650747 CXVDEJXZIKZRKK-UHFFFAOYSA-N 373.843 6.199 0 1 FKAF CC1(C)CC(=O)[C@@H]2[C@H](C1)Oc1ccc3ccccc3c1[C@@H]2c1ccc(O)cc1 1857640819 QUXMZOPORIRCGR-WPFOTENUSA-N 372.464 5.444 0 1 FKAF COc1ccc2c(c1)c1c(n2Cc2ccc(Cl)cc2)CC(C)(C)CC1=O 1857746424 AJUWJSDGDGYFBT-UHFFFAOYSA-N 367.876 5.507 0 1 FKAF CC[C@H](O)C(C)=C[C@H](C)[C@H](O)C(C)=CC(C)=C[C@H](C)C=Cc1ccccc1 2356537594 YLFWWEOWHPOZJW-QVJDATKISA-N 368.561 5.943 0 1 FKAF O=C(CN1[CH]C=Cc2c1ccc1ccccc21)c1ccc(Cl)c(Cl)c1 2356831939 CBEPSCMXMMMFQB-UHFFFAOYSA-N 367.255 6.024 0 1 FKAF ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]([C@@H]4C=C[C@H]3C4)[C@@]1(Cl)C2(Cl)Cl 17528066 QBYJBZPUGVGKQQ-UWMJKZJFSA-N 364.914 5.270 0 1 FKAF S=c1nc2c(c[nH]1)CN=C(c1ccccc1Cl)c1cc(Cl)ccc1-2 29393019 IEVKAJOBHSHQDN-UHFFFAOYSA-N 372.280 5.464 0 1 FKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)Sc1ccccn1 40465039 OAGHNIUCZYVANA-GMKZXUHWSA-N 365.586 6.760 0 1 FKAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(Nc2ccccc2)cc1 59856518 MCYDACUHEDLRBQ-UHFFFAOYSA-N 356.473 5.402 0 1 FKAF Cc1cccc(N(CCCCCC2CCCCC2)c2ccc[n+](C)c2)c1 66166519 ZZWRDTNHKBPJPZ-UHFFFAOYSA-N 351.558 6.098 0 1 FKAF C[C@@H](NCc1coc(-c2ccccc2Cl)n1)c1cccc2ccccc12 72101058 XXTCLXLNOQIDIE-OAHLLOKOSA-N 362.860 5.999 0 1 FKAF CCCCc1ccc(-c2nc(CNC3C4CC5CC(C4)CC3C5)co2)cc1 72181444 TZFNEZZVLOCZCY-UHFFFAOYSA-N 364.533 5.599 0 1 FKAF O=C(Cc1cccc(Oc2ccc(F)cc2)c1)Nc1cccc(Cl)c1 82157533 ZYOYPVAEQAPJBT-UHFFFAOYSA-N 355.796 5.453 0 1 FKAF C[C@@H](CCNCc1ccc(Cl)cc1)COc1cccc2cccnc12 95595403 ZOCPJHOVYMGNMX-INIZCTEOSA-N 354.881 5.083 0 1 FKAF Fc1ccc(-c2nc3ccccn3c2-c2cccc(-c3ccco3)c2)cc1 96927459 DCXBCMWGVKFPKB-UHFFFAOYSA-N 354.384 6.067 0 1 FKAF CC(C)Nc1nc(NCc2ccccc2)c2sc(-c3ccccc3)cc2n1 103263048 FOQBWNRBEXRXCT-UHFFFAOYSA-N 374.513 5.791 0 1 FKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C(=O)NCC(=O)O 150374031 ILSMDNVBZYGMDG-FHWLQOOXSA-N 355.563 5.262 0 1 FKAF endogenous,in-man CCn1c2ccccc2c2cc(C(=O)c3cccc4cccnc34)ccc21 205445164 GPGKTWSQCNBODD-UHFFFAOYSA-N 350.421 5.594 0 1 FKAF CC1=C([C@H](C)CCCC(C)C)CC[C@]12CC[C@H]1[C@H]2CC[C@H]2CCCC[C@]12C 238738378 QNEPSTOKGZVQKP-UXIOJTTJSA-N 370.665 8.562 0 1 FKAF O=C1O[C@]2(CCCc3ccccc32)CC(O)=C1Sc1ccccc1Cl 299819293 ARXGAYSNNUEORZ-HXUWFJFHSA-N 372.873 5.380 0 1 FKAF Cc1ccnc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc12 586975685 PRGNPYANLFDBHK-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF Cc1ccc(Cc2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)cc1 586992740 YXSXFSLVJZJTDJ-UHFFFAOYSA-N 365.432 5.359 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(N)ccc4F)nc13)-c1ccccc1C2=O 586995104 IFWXYWDNCWNPNE-UHFFFAOYSA-N 354.384 5.143 0 1 FKAF COc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1N 586997937 WUNXEVWDUFYSAB-UHFFFAOYSA-N 366.420 5.012 0 1 FKAF C(=C/c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)\c1ccsc1 587025086 FZZXQXLJAVEZRF-VMPITWQZSA-N 359.479 6.072 0 1 FKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccc(Cl)nc2[nH]1 587128117 GPYBYCBFHWUQQH-UHFFFAOYSA-N 362.792 5.339 0 1 FKAF Cc1nccc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc12 587141079 KRXIKHAKVLXGJC-UHFFFAOYSA-N 367.424 5.504 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cccc(Cl)c4[nH]3)c2)c1 587160537 VJUGVWJNPQASCV-UHFFFAOYSA-N 352.796 5.698 0 1 FKAF CC[C@]1(c2cc(C(F)(F)F)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 587382713 RFBMJTZOGIGBDD-GOSISDBHSA-N 367.342 5.006 0 1 FKAF CCCCCc1ccc([C@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587446047 SCNYDEITDLEEQV-YKSBVNFPSA-N 364.485 5.481 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C3CCC3)c1F)CC2=O 587466267 KKOXGIYNZFZBEZ-HSZRJFAPSA-N 368.448 5.632 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CCc1ccccc1)(C(C)(C)C)CC2=O 587488087 HVCILYJLPHWLNF-DEOSSOPVSA-N 366.501 5.728 0 1 FKAF CC(C)[C@]1(c2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587503294 GCHSZIRBYJSLRF-QFIPXVFZSA-N 372.867 5.875 0 1 FKAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587540461 AIVLMNGFVIWMCM-RXVVDRJESA-N 366.800 5.057 0 1 FKAF CCC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608979 AWNZHJDYYHVZJY-GHTZIAJQSA-N 366.438 5.111 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(-c3cccc(F)c3)c2c1 587642622 OZNQENHBHDJPSK-MRXNPFEDSA-N 373.471 7.163 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(CC(=O)OC)c(-c3ccc(F)c(F)c3)c2c1 587643748 WHCVOCOGEBEYOB-LBPRGKRZSA-N 357.400 5.342 0 1 FKAF Cc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587691963 FJLHVAZYNZQQJU-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF COc1cccc(OCc2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)c1 587780735 GQXIKPJLWGQGRK-UHFFFAOYSA-N 364.832 5.471 0 1 FKAF C[C@H]1C[C@@H](C)C[C@H]([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 587815420 MRKKIXXCJQLSSG-COLGCWSRSA-N 368.334 5.410 0 1 FKAF Cc1ccc(C2CC3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 587816596 AVLSMNBOCUSJSF-CZTOGXCSSA-N 374.297 5.204 0 1 FKAF CC1=C(C)C[C@H]([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587818847 FTRURWXOUAWFGO-SNUQEOBHSA-N 352.291 5.300 0 1 FKAF CSc1ccc(-c2ccc(C)n2-c2cnc(C)c(Br)n2)cc1 587941778 YFAXKTFFQSUONU-UHFFFAOYSA-N 374.307 5.036 0 1 FKAF CC/C(=C\c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)c1ccc(C)cc1 587967617 OZGULJZHWHWAMF-ACCUITESSA-N 354.837 5.262 0 1 FKAF CCCCN(C)CCCCCC(=O)n1c2ccccc2c2ccccc21 653700268 JOQWWWOOXDKOCI-UHFFFAOYSA-N 350.506 5.727 0 1 FKAF COc1ccc2cc([C@@]3(C)NCCc4ccc(F)c(C)c43)ccc2c1Cl 962088173 CZGMVSAIHZPYPB-JOCHJYFZSA-N 369.867 5.359 0 1 FKAF FC(F)(F)c1c(CCCOc2ccccc2)n2c3c(cccc13)OCC2 1772573418 GQJAQFVKDDQPJQ-UHFFFAOYSA-N 361.363 5.064 0 1 FKAF COc1ccc(C)cc1-c1cccc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772619150 FDSSYKJHZVEKHR-GOSISDBHSA-N 367.470 5.042 0 1 FKAF FC1(F)CCN(Cc2ccc3ncccc3c2)C[C@H]1CCc1ccccc1 1772634281 IVAXBUQWFBWBBO-OAQYLSRUSA-N 366.455 5.325 0 1 FKAF C[C@H](O)CCCC=CCC=CCCCCCCCc1cc(O)cc(O)c1 2356790591 FTDAHSABGDJTEP-FQEVSTJZSA-N 360.538 6.035 0 1 FKAF CN(C)c1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)cc1 904196 ZJLDMNIEWUCZQN-UHFFFAOYSA-N 368.912 5.465 0 1 FKAF CCCN(CCC)CCc1ccc(OC)c(OCCc2cccs2)c1 13795841 OLLZIXVTODGRHR-UHFFFAOYSA-N 361.551 5.043 0 1 FKAF Clc1ccc(CCN2[C@H]3CC[C@@H]2Cc2[nH]c4ccccc4c23)cc1Cl 13861347 KQHWFSJEUGZFOE-VLIAUNLRSA-N 371.311 5.779 0 1 FKAF Cc1cc(O)c2c(c1)[C@]1(C)CC(=O)[C@@]3(C)CCCC[C@@]3(C)[C@@]1(C)C(=O)[C@@H]2C 26579871 ZENUGQHOXVHFGV-QFBKEJFNSA-N 368.517 5.210 0 1 FKAF CCc1cccc(N(C)C(=N)Nc2cc(C(F)(F)F)cc(CC)c2F)c1 27426385 RYJMWYVHQYNICE-UHFFFAOYSA-N 367.390 5.452 0 1 FKAF CCCCN(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1 28125158 VIXFDTGHIVQPQN-UHFFFAOYSA-N 352.865 5.427 0 1 FKAF COC(=O)CCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1 28822087 LQPGASJGMFSFJP-UHFFFAOYSA-N 354.490 5.687 0 1 FKAF FC(F)(F)c1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl 28897867 DXLMOAQRGYWAPD-UHFFFAOYSA-N 372.177 5.319 0 1 FKAF CN1CCN([C@@H]2C[C@H](c3ccsc3)c3ccc(Cl)cc32)CC1(C)C 34801000 JUUYXOLEDYTRCB-IEBWSBKVSA-N 360.954 5.004 0 1 FKAF COc1ccc(C(=O)c2c(-c3ccc(OC)cc3)sc3ccccc23)cc1 39161441 GKLNUSVOHXBWML-UHFFFAOYSA-N 374.461 5.817 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@H]21 40719165 XAUNJOUEWQWLCP-JYAXBFRTSA-N 370.577 7.323 0 1 FKAF in-vitro Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(C)C)nncc2c1 40953053 DYSGCGRDHIJLBK-UHFFFAOYSA-N 373.460 5.141 0 1 FKAF COc1ccc([C@H](O)c2cc3ccccc3cc2-c2cccnc2)cc1F 40954660 KSGVSOSHLHWIHO-QHCPKHFHSA-N 359.400 5.131 0 1 FKAF CC(C)=CCC/C(C)=C/COc1cccc(-c2cncn2CC(C)C)c1 103177467 HBEASKRNXAZYJQ-UDWIEESQSA-N 352.522 6.278 0 1 FKAF CCCCC/C=C\[C@@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 207839500 HPZWGIGIINAFKI-QUMJFYJXSA-N 361.570 5.487 0 1 FKAF CCCCCc1cc(O)c(C/C=C(/C)CCC=C(C)C)c(OC(C)=O)c1O 214201776 NQWZDPKQSSITCN-LGMDPLHJSA-N 374.521 5.991 0 1 FKAF CC(C)CCCCCC(=O)CCCCCCCCCCCCCCCO 238772990 VCJWPOVKFPKQBF-UHFFFAOYSA-N 368.646 7.616 0 1 FKAF CN(C)CCOc1ccc([C@@H](c2cccs2)c2ccccc2F)cc1 299865761 ULVUIVOSVRTRBK-OAQYLSRUSA-N 355.478 5.008 0 1 FKAF CSc1ccc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c2c1 586878969 BWXNQOAORUDFQQ-UHFFFAOYSA-N 358.466 5.821 0 1 FKAF Cc1c(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586904931 DJRAFDCWKFYSPY-SFHVURJKSA-N 360.413 5.293 0 1 FKAF Cc1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1C 586978281 ZDIDFKMYMTXBFJ-UHFFFAOYSA-N 365.658 5.175 0 1 FKAF FC(F)(F)c1ccc(-c2nc3cc(Cl)ncc3[nH]2)c(C(F)(F)F)c1 587095396 XFXFTUKWEKCYBG-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF CCc1c(-c2ccccn2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096224 FVFWANLZVPRTKJ-UHFFFAOYSA-N 350.421 5.379 0 1 FKAF FC(F)(F)Sc1ccc(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)cc1 587126590 ZSORTQWMDOODEQ-ZZXKWVIFSA-N 364.348 5.074 0 1 FKAF Fc1c(F)c(F)c(/C=C/c2nc3cc4ccccc4cc3[nH]2)c(F)c1F 587133994 HMIOUWFGKZLQAV-AATRIKPKSA-N 360.285 5.582 0 1 FKAF COc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1F 587149242 IZAOEPVPJIDSIA-HXUWFJFHSA-N 365.383 5.051 0 1 FKAF Cc1c(-c2ccc(Br)cc2Cl)nc2cccc3c2c1CC3 587208456 RTRNNIATJYMMRP-UHFFFAOYSA-N 358.666 5.725 0 1 FKAF FC(F)(F)c1cccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587229417 GJODOGBYBLVYML-UHFFFAOYSA-N 368.362 5.256 0 1 FKAF C[C@H]1CCC[C@@H](C)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349775 GWCAFXWPKFWWAG-NUGMEJGNSA-N 354.421 5.085 0 1 FKAF CCOC[C@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362967 NKSTTWRGHCJVCY-MRXNPFEDSA-N 373.452 5.723 0 1 FKAF CC[C@@]1(C)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587366952 OWFLFORDFAWCBK-VWLOTQADSA-N 371.480 6.562 0 1 FKAF CC(C)Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587515695 OLPAXYPYZVFYOX-JOCHJYFZSA-N 374.484 5.278 0 1 FKAF Cc1cccc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603981 SZFNAGBIZPTXBR-XUZZJYLKSA-N 374.436 5.054 0 1 FKAF CCCc1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 587628064 GRWVYAIXOGLYRQ-UHFFFAOYSA-N 366.661 6.342 0 1 FKAF CCc1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 587628380 NFAMSHOMBKUXPG-UHFFFAOYSA-N 352.634 5.952 0 1 FKAF CC[C@H](C)c1ccc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)cc1 587631107 GIZNDXWGWJUCNM-NSHDSACASA-N 358.844 6.035 0 1 FKAF Cc1[nH]c2ccccc2c(=O)c1Cc1c(C)[nH]c2cc(Cl)c(F)cc12 587633146 YPUTUNGTZBUDIC-UHFFFAOYSA-N 354.812 5.010 0 1 FKAF C[C@H](C[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)CC(C)(C)C 587818549 IMSDJIYLPAKCPB-QFSBIZTOSA-N 356.323 5.626 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCC3(CC2)CC3)N1 587823653 QTSDYKVIGGYQJF-PIGZYNQJSA-N 352.291 5.134 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587966916 FHWPLSLLZMPBHG-PEZBUJJGSA-N 374.443 6.118 0 1 FKAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4CC=CC[C@H]4C)[nH]c3c2)cc1 587967714 REXNAENBQNLCBF-RDTXWAMCSA-N 362.429 5.212 0 1 FKAF COc1ccc2c(c1)[C@@H](C1=Cc3cc(Cl)ccc3OC1)N(C(C)C)CC2 962090321 KOCXEFQJQYHOLJ-JOCHJYFZSA-N 369.892 5.132 0 1 FKAF COc1cccc(-c2ccc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN43)cc2)c1 963096946 DZRADTJJNKESOH-RCZVLFRGSA-N 373.471 5.611 0 1 FKAF CCC(C)(C)[C@]1(c2ccccc2OC)c2c(F)cccc2C[C@@H]2CCCN21 963119079 YZWSCTOQXLVPOM-UUOWRZLLSA-N 367.508 5.535 0 1 FKAF CC(C)=CCC[C@@](C)(O)CCc1c(O)cc(O)cc1CCc1ccccc1 1857540130 WBEHOKINRBWMRB-XMMPIXPASA-N 368.517 5.313 0 1 FKAF C[C@@H](N=c1cc[nH]c2ccc(-c3cccnc3)cc12)c1ccc(Cl)cc1 1857584049 LHVQEPIKUBGBJQ-OAHLLOKOSA-N 359.860 5.545 0 1 FKAF Cc1ccc(C(=O)Nc2cncc(-c3cc(-c4cccnc4)cs3)c2)cc1 1857770071 VWDCPFVULOPYCN-UHFFFAOYSA-N 371.465 5.433 0 1 FKAF CN[C@@H]1CC=C2C=C3CC[C@]4(C)[C@H]([C@H](C)N)CC[C@]4(C)[C@H]3CC[C@@H]2C1(C)C 2356614794 IECOUAMPFIEPAJ-ASTKIESUSA-N 370.625 5.447 0 1 FKAF CC(C)=CCCC(C)=CC[C@H](O)C(C)=CCc1cc(C(=O)O)ccc1O 2356766135 LSQRGMPMJOCLHX-FQEVSTJZSA-N 358.478 5.023 0 1 FKAF CC(=O)N[C@](C)(c1ccccc1)c1nc(-c2ccc(F)c(Cl)c2)cs1 61929937 PSXSRQALCBGSQS-LJQANCHMSA-N 374.868 5.002 0 3 FKAF CCCC[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc3ccccc3c2)O1 72133468 BRWDSDGKSUQEQC-NQIIRXRSSA-N 366.457 5.424 0 3 FKAF Cn1c(-c2cccnc2)cc2cnc(Nc3cccc(C(F)(F)F)c3)cc21 206015974 YQKQVIRXYLSMAU-UHFFFAOYSA-N 368.362 5.398 0 3 FKAF C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](N)c1ccccc1 6202042 ZWMWNOXLPBMYMO-JBAXAFQVSA-N 358.485 5.141 0 1 FKAF O[C@@H](CCCN1[C@H]2CC[C@@H]1CC(c1ccccc1)C2)c1ccc(F)cc1 13766727 MMDFRNFDFSNOJN-MWWJCJHHSA-N 353.481 5.050 0 1 FKAF Clc1ccc([C@@H]2C[C@@H](NCc3ccccc3)c3ccccc32)cc1Cl 13835791 FVVRXOHRSYEMTM-SIKLNZKXSA-N 368.307 6.360 0 1 FKAF CCc1c(C)sc2c1CCN(Cc1ccccc1F)[C@@H]2c1ccccc1 21337804 OFEQTWIRIOQICC-JOCHJYFZSA-N 365.517 5.906 0 1 FKAF CC1(C)CCC[C@]2(C)c3cc(O)c(OCc4ccccc4F)cc3CC[C@H]12 28568364 VVSJJTBXMKXJDT-ISKFKSNPSA-N 368.492 6.141 0 1 FKAF CCCCCOC(=O)[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1 28757439 CVFZEEPNRYAKLM-SFTDATJTSA-N 356.462 5.109 0 1 FKAF CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3c(Cl)cccc32)CC1(C)C 36238035 NXUBPNABLKWHGY-UYAOXDASSA-N 372.915 5.082 0 1 FKAF Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccccc45)CC3)c2c1 45390935 UQJKOGAIEZXISJ-UHFFFAOYSA-N 360.432 5.385 0 1 FKAF c1ccc(Nc2cccc(Oc3cncc(NCc4ccco4)n3)c2)cc1 82068743 TYUUGSFHBBTJKE-UHFFFAOYSA-N 358.401 5.218 0 1 FKAF Cc1cccc(-c2cc(NCc3ccc(F)cc3C(F)(F)F)ncn2)c1 82162235 KEVOKOGNRNGIFU-UHFFFAOYSA-N 361.342 5.222 0 1 FKAF O=C(Nc1ccccc1)Oc1cccc([C@H]2CC(=O)c3ccccc3O2)c1 98082362 JCJPXMQOAWBSNL-OAQYLSRUSA-N 359.381 5.004 0 1 FKAF CN1[C@H]2C=C(c3c[nH]c4ccc(CC(=N)c5cccs5)cc34)C[C@H]1CC2 100637414 CMBSDQQNVCCNCC-IAGOWNOFSA-N 361.514 5.090 0 1 FKAF CC(C)CCCCCCCCCCCCCCCCCCCCCO 118120781 WAXKSBQHHRJJLC-UHFFFAOYSA-N 354.663 8.437 0 1 FKAF in-vitro O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(OCC3CCCCC3)cc21 144771724 ODORILUBTAAJSV-FQEVSTJZSA-N 362.391 5.424 0 1 FKAF CCCCCCc1c(O)ccc(C(=O)c2cc(Cl)c(Cl)[nH]2)c1O 238785137 JLMAELSVRMOUSB-UHFFFAOYSA-N 356.249 5.087 0 1 FKAF Cc1ccc(-n2ccnc2SCc2nc3ccc(C)c(C)c3[nH]2)c(C)c1 586966071 CONYBVGXQCBLQA-UHFFFAOYSA-N 362.502 5.275 0 1 FKAF C/C(=C/c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991178 LKFOZTNAEDSHEM-SQFISAMPSA-N 363.416 5.712 0 1 FKAF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2cnccc2[nH]1 587049896 NDKIRCIERILPHM-UHFFFAOYSA-N 355.828 6.099 0 1 FKAF Fc1c(F)c(F)c2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2c1F 587054736 QPTAJFMPIQWVHK-SNAWJCMRSA-N 361.125 5.597 0 1 FKAF Cc1c(Br)ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 587097765 NGVFZFZHBQNCNM-UHFFFAOYSA-N 373.147 5.459 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4CC(C)C)-c1ccccc1C2=O 587100632 MYJMZWYAYIHSBH-OAHLLOKOSA-N 369.464 5.400 0 1 FKAF Cc1ccc(COc2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587397658 AFPJEJSKQYDXSD-QHCPKHFHSA-N 373.452 5.171 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Cl)ccc2C[C@@H]1C 587461433 KGCOIKMHWBMWFG-LAJNKCICSA-N 356.849 5.051 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)c(Cl)c1)CC2=O 587462605 PJOHNFQLFHUGOF-KRWDZBQOSA-N 351.229 5.358 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c3c(C)cc(C)cc13)CC2=O 587484419 OZANXZXFZDYQCU-FQEVSTJZSA-N 363.457 5.458 0 1 FKAF CC(C)CC[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604098 QWQHNICJZJXBQP-LERMDLETSA-N 366.457 5.329 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccnc3)c(C(=O)c3cccnc3)c2c1 587643007 APSNMHVXMDMSGP-OAHLLOKOSA-N 355.441 5.369 0 1 FKAF COc1cccc(C)c1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587785947 FFMAAOBHKRAGRS-UHFFFAOYSA-N 371.465 5.824 0 1 FKAF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c2ccccc12 587801283 FOIHZLOEEDJOAE-APBUJDDRSA-N 373.269 5.002 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(C)cccc1CC 587866199 XMWOJQYDWZPYSX-UHFFFAOYSA-N 374.406 5.828 0 1 FKAF O=C(c1cc2c(s1)CCCCCC2)n1nc2cc1Oc1ccc(F)cc1-2 587876918 WQURIZMVXTVOBI-UHFFFAOYSA-N 368.433 5.204 0 1 FKAF Clc1ccc(-c2nc3sccn3c2CNCc2ccccc2)cc1 1857565933 PLBJAAFWOLSABJ-UHFFFAOYSA-N 353.878 5.006 0 1 FKAF CC(=O)OCC1=CCC[C@@H]2[C@@](C)(CC/C(C)=C/C(=O)O)[C@H](C)CC[C@@]12C 13402443 FCZDHYMKYYBHKU-NPUNCXQYSA-N 362.510 5.140 0 1 FKAF CC(C)=C(/C=C/C(C)=C/C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C 13743085 HRGDLLOOEVWNOE-XVVAVEOZSA-N 352.518 6.416 0 1 FKAF CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Cl)ccc23)C1(C)C 14975753 DTYTWKJDMYXMFQ-UHFFFAOYSA-N 373.924 5.586 0 1 FKAF Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCc2ccccn2)c1 26019939 MXCVIXZLRNCGTM-UHFFFAOYSA-N 369.512 5.222 0 1 FKAF Cc1c(Sc2ccc(Cl)cc2)c2cccc(Cl)c2n1CC(=O)O 38495198 UDYKRMHOQKAQNZ-UHFFFAOYSA-N 366.269 5.492 0 1 FKAF COc1ccc(OC)c(CCCCCCCCCCCCCCO)c1 40764018 GCVIFINUGNIULM-UHFFFAOYSA-N 350.543 5.920 0 1 FKAF CC1(C)[C@H]2CC[C@@H](CNc3cc(Oc4cccc5ccccc45)ncn3)[C@@H]1C2 82067416 ONLLDIMFIZFCOL-BJLQDIEVSA-N 373.500 5.906 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(Cl)c3)nc(-c3cccs3)c2)cc1 95552342 RKALIWYSIVXCEG-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF CC(C)C[C@@H]1CN2C(=NC[C@H]2C2CCCCC2)N1CC[C@H]1C[C@@H]2CC[C@@H]1C2 101217938 SGIBUXSDRUUCRC-IFPLKCGESA-N 371.613 5.164 0 1 FKAF C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c3c(c(=O)oc2c1)CCC3 147656256 VQKMAQSUYKTDSL-AWEZNQCLSA-N 366.432 5.253 0 1 FKAF CC(=O)OC/C=C(\C)CC[C@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]21C 238750563 GYGSQPMBVQQYCF-FPDCUTENSA-N 350.543 5.270 0 1 FKAF O=C(CCCCCCc1cccc(F)c1)Nc1ccnc(C(F)(F)F)c1 299865141 NJIKTUINATYSPX-UHFFFAOYSA-N 368.374 5.371 0 1 FKAF Cc1cc(Br)cc2nc([C@H](C)SCc3ccccc3)[nH]c12 586964347 YMTXPJSFNCXGQZ-LBPRGKRZSA-N 361.308 5.628 0 1 FKAF CCCC(Br)(CCC)c1nc2cc(Cl)c(Cl)nc2[nH]1 586970883 LKVOJWHHBFNBTC-UHFFFAOYSA-N 365.102 5.455 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4cc(Cl)cnc4[nH]3)c2o1 587004630 WOOHPAUHCQZBKK-UHFFFAOYSA-N 362.614 5.095 0 1 FKAF Cc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2cc1F 587031539 SMXFPQMLBCHPRM-GFCCVEGCSA-N 365.477 5.969 0 1 FKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c3c(ccc2[nH]1)CCCC3 587066386 MHIJNQVIGKKOTI-UHFFFAOYSA-N 361.876 5.861 0 1 FKAF Cc1c(-c2cccc(F)c2F)nc2cccc3c2c1-c1ccccc1C3=O 587102706 DOTVRHJQXOCRHZ-UHFFFAOYSA-N 357.359 5.700 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(F)c(C)c4[nH]3)c2)c1 587160626 XQGDLXYTFCTXJF-UHFFFAOYSA-N 350.368 5.492 0 1 FKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587194727 AMAUQMBMABDTDL-QGZVFWFLSA-N 371.484 5.360 0 1 FKAF C[C@@H](Oc1ccc(F)cc1Cl)C(=O)c1coc2ccc(Cl)cc12 587278521 IDWUWHZYKYICFF-SECBINFHSA-N 353.176 5.529 0 1 FKAF COc1cccc(-c2cc(CCCN(C)C)nc3c2oc2ccccc23)c1 587360175 KETYVCFGZMGDIO-UHFFFAOYSA-N 360.457 5.151 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(CC(C)C)CC2=O 587489779 PSUVTXSDBWMMIY-HSZRJFAPSA-N 352.474 5.338 0 1 FKAF CC1=CC[C@H](C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C 587600965 DGLQKCIJNJCSSJ-YSGRDPCXSA-N 364.441 5.105 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3O)c(C)c2c1 587638945 KJPPADSGKWQVSU-NSHDSACASA-N 358.279 6.125 0 1 FKAF Cc1cccc(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815192 KOMXQVLZDKZTOR-ORAYPTAESA-N 362.286 5.003 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)CC2)N1 587818655 SABZJLGAOFKGDM-RNODOKPDSA-N 372.281 5.195 0 1 FKAF CC(C)[C@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587819032 GIMAROGKEQTZDY-RVZJWNSFSA-N 354.307 5.164 0 1 FKAF Oc1cc(C2CCCCC2)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587945763 PJNIEKGUPKDQCR-UHFFFAOYSA-N 369.411 5.881 0 1 FKAF Fc1ccccc1NC(=S)Nc1ccc(-c2cccc(Cl)c2)cn1 1857762921 LNJIQLSQVXFARW-UHFFFAOYSA-N 357.841 5.350 0 1 FKAF CC(=O)[C@@H]1CC[C@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@@H]4CC3)CC[C@]12C 2356324618 KRGINONPUAFUGF-PLXZFBFJSA-N 368.517 5.316 0 1 FKAF CC1=CC[C@]2(C)CC[C@]3(C)CCC(C)(C)[C@H](O)[C@H]3[C@H]2CCC(C)=CCC1 2356378053 ULDBXMRKZUJJOC-ZHVUWXLNSA-N 358.610 7.063 0 1 FKAF CC(C)[C@@H]1CC[C@@]2(C)[C@@H]([C@H]1OC(=O)C=Cc1ccccc1)[C@@]1(C)CC[C@H]2O1 2356512334 RFPFUPCCKCHQLQ-YFQXZHHASA-N 368.517 5.251 0 1 FKAF COC(=O)C[C@H](C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)OC 2356581597 BVVBLULWDBBBND-XPMXXILHSA-N 352.559 5.614 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](C)C(=O)NC(C)C 13761116 NZNLIWSEVRUPQF-HRJYBQMVSA-N 359.598 6.903 0 1 FKAF O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccoc3)cc1CC2 26842640 XRDLKLADEFQFGB-UHFFFAOYSA-N 359.356 5.098 0 1 FKAF CCCCCN(C)C(=O)N(C)CCCC/C=C\CCCCCCC(=O)O 43012089 PQTSUIMYXOUECS-CLFYSBASSA-N 368.562 5.312 0 1 FKAF CCCCCCSc1cc(Cl)c(C(=O)CCN2C[C@H]2C)c(Cl)c1 43072590 ITMOHGDZMKMQRY-ILRUXTBWSA-N 374.377 5.943 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](Cc4ccccc4)[C@H]3[C@@H]1CC[C@@H]2O 66251900 VBLWCYNQWREDNM-LAMOWGQJSA-N 362.513 5.078 0 1 FKAF O=C(Nc1c(Cl)cccc1Cl)C(Cl)(C(F)(F)F)C(F)(F)F 68574240 FJWWYCSQAYXNRS-UHFFFAOYSA-N 374.495 5.034 0 1 FKAF biogenic NCCS[C@@](Cc1ccccc1)(c1ccccc1)c1cccc(Cl)c1 84653106 SDPXBXLXBUVGPF-QFIPXVFZSA-N 367.945 5.518 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCOCC[C@@]43C)[C@@H]1CC=C2c1cccnc1 169213033 FEJGFCIJNGQGJB-VJLLXTKPSA-N 351.534 5.744 0 1 FKAF CCNC(=O)/C=C(C)/C=C/C(F)=C(C)/C=C/c1c(C)cc(OC)c(C)c1C 169317436 LMOLPAJRGFBBQC-YCIAHQKQSA-N 371.496 5.516 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2c1ccncc1 253930166 XAAZZZPPMNDFEH-KMDQZSAOSA-N 351.534 5.489 0 1 FKAF CCCCCC[C@@H](O)CCCCCCCCCCc1cc(O)cc(=O)o1 263614291 FXHJVZHVWWRDAY-LJQANCHMSA-N 366.542 5.730 0 1 FKAF in-vitro CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(Cl)nccc4[nH]3)cc2)CC1 586881976 YZEMJYSRWLOOGJ-WKILWMFISA-N 367.924 6.742 0 1 FKAF c1ccc(Sc2ccc3nc([C@@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586892693 VOGRINJVFJSZJW-QQVQHEQESA-N 360.526 6.182 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 586896005 GBKAUVJGFUSDCJ-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cccc(C(F)(F)F)c2[nH]1 587062261 PPNSNTWANSXJIS-CYBMUJFWSA-N 354.759 5.765 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587070976 YVGAKLBCYKNQLW-CYBMUJFWSA-N 354.881 5.890 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1 587079334 CQTKOGYVQPOLGN-UHFFFAOYSA-N 367.733 5.377 0 1 FKAF CCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(O)c1 587106581 LWQZDYONPBQQFU-UHFFFAOYSA-N 367.404 5.218 0 1 FKAF CCSc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587209295 NEKBNSDEKQOAEJ-UHFFFAOYSA-N 367.473 6.225 0 1 FKAF Cc1c(Cl)ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587231653 DCVBEBPUXPVUJT-UHFFFAOYSA-N 351.837 5.075 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1ccc(C)cc1)[C@@H](C2)C3=O 587444595 VZOWMQLXXGVDRS-YADARESESA-N 372.420 5.285 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4ccccc4)c1)[C@@H](C2)C3=O 587446093 TUYQZHJKHPNHEI-GBXCKJPGSA-N 356.421 5.025 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(C1CCCC1)CC2=O 587466468 LLFJVAZFZSGCSN-HSZRJFAPSA-N 368.448 5.535 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1SCC)CC2=O 587489034 AKVOHBDIZVWKAL-NRFANRHFSA-N 356.487 5.337 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccccc3F)o2)Oc2c1ccc1c2CCCC1 587505926 QULZPZMCJUHJTC-QFIPXVFZSA-N 362.400 5.671 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CC1CC1)c1ccccc1 587600244 AKFTZSSKUAONSI-QPPBQGQZSA-N 372.420 5.049 0 1 FKAF CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2ccc([C@@H](C)CC)cc12 587642281 MNPFQJVQROFONN-AWEZNQCLSA-N 353.437 5.588 0 1 FKAF CCOc1ccccc1OCc1nc2ccc(SC(F)(F)F)cc2[nH]1 587780180 MVJZRGSZTKSNEU-UHFFFAOYSA-N 368.380 5.153 0 1 FKAF Cc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1C 587783891 IMHCBAMWOYZQAW-PTNGSMBKSA-N 354.453 5.929 0 1 FKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1 587928759 CAVMHPQYGHNCPJ-DVECYGJZSA-N 370.452 5.809 0 1 FKAF CCc1ccc(C(=O)CCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 587956116 USGPLKRDONRANE-UHFFFAOYSA-N 364.342 5.099 0 1 FKAF CC(C)=CCC/C(C)=C/Cn1cc(CN2CCCCC2)c2ccccc21 1772589513 TZQJAAMBEGQUCW-KGENOOAVSA-N 350.550 6.320 0 1 FKAF Clc1ccccc1C(n1ccc2ccccc21)n1ccc2ccccc21 1772633453 BHPUICSWNODXHH-UHFFFAOYSA-N 356.856 6.345 0 1 FKAF CC(C)Oc1cccc(-c2cn3c(-c4ccccc4Cl)cnc3cn2)c1 1857615333 WTUYATIHSRXNRB-UHFFFAOYSA-N 363.848 5.504 0 1 FKAF O[C@H](c1ccc(F)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)c[nH]1 61907534 APJFIQKUGRJXIY-OAQYLSRUSA-N 360.388 5.090 0 3 FKAF Fc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)cc1 72134991 AJCJXTYJEIBEDM-UHFFFAOYSA-N 358.441 5.946 0 3 FKAF CCCCCc1c(-c2cccc(F)c2)ncn1CCc1ccccc1OC 95565971 SQRQLSJNPHJKQY-UHFFFAOYSA-N 366.480 5.673 0 3 FKAF C[C@]12C[C@@H](c3ccccc3)Nc3ccccc3N1C(c1ccccc1)=NO2 3589293 MZCPLTSWSRVBOM-REWPJTCUSA-N 355.441 5.158 0 1 FKAF C[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 13119889 XXNRZZXPXAFYRJ-CTZQYXLCSA-N 357.497 5.328 0 1 FKAF COc1ccc2c(Cc3ccc(Cl)cc3)ccc([C@@H](C)C(=O)O)c2c1 26647440 FRJVNDLSJVURGX-CYBMUJFWSA-N 354.833 5.281 0 1 FKAF C[C@H](CO)[C@@H]1CC[C@H]2/C(=C/C=C3CCC4(CC3)OCCO4)CCC[C@]12C 26653053 CYPXZNOVNNOREM-DFSSIAMFSA-N 360.538 5.001 0 1 FKAF Cc1ccc(NC(=S)N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 28709445 KWBFOLSMOMTIKO-QFIPXVFZSA-N 371.509 5.543 0 1 FKAF Cc1ncc2c(n1)-c1ccc(Cl)cc1[C@H](c1ccccc1Cl)N(C)C2 29330278 XKFMYQMPVIXHLN-FQEVSTJZSA-N 370.283 5.294 0 1 FKAF CC(C)=CCC/C(C)=C/CC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 34095217 ABWKPQNPNVWXDB-JYFCICGUSA-N 356.550 6.874 0 1 FKAF CC1(C)C(C(=O)c2cn(CCC3CCOCC3)c3ccccc23)C1(C)C 34600274 WVHIAQROMOAWTP-UHFFFAOYSA-N 353.506 5.323 0 1 FKAF CC(=O)c1ccc(Nc2cc(/C=C/c3ccccc3)nc3ccccc23)cc1 45338191 YJZKOTWDLNKWMI-SDNWHVSQSA-N 364.448 6.351 0 1 FKAF CCc1ccc(N(CCCCCC2CCCCC2)c2ccc[n+](C)c2)cc1 66156774 NIYGRBBIFINUMP-UHFFFAOYSA-N 365.585 6.352 0 1 FKAF CCCN(CCC)c1cccc2nc(Nc3c(C)cccc3C)n(C)c12 142667142 CDTHLIOELOWLFU-UHFFFAOYSA-N 350.510 5.560 0 1 FKAF O=C(Nc1ccc(-c2cccnc2)cc1)Nc1ccc(Cl)c(Cl)c1 473134116 FUWGAABFLXHHHW-UHFFFAOYSA-N 358.228 5.699 0 1 FKAF Clc1ccccc1-c1nc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)co1 587063246 QTJYVQZAHLIVKD-UHFFFAOYSA-N 365.607 5.240 0 1 FKAF Cc1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cc1Cl 587073884 NIMYZEVZBPAYGY-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(F)c(Cl)cc2[nH]1 587077201 TZIDFARREIAHJV-UHFFFAOYSA-N 374.202 5.443 0 1 FKAF COc1cccc2c1Cc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099338 ZUPFPOBCNQYKPF-UHFFFAOYSA-N 363.416 5.334 0 1 FKAF CC(=O)CC/C=C\CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099699 SNEAEIWNTPUKQK-ARJAWSKDSA-N 369.464 5.613 0 1 FKAF O=C1c2ccccc2-c2cc(-c3nc4cc(F)ccc4[nH]3)nc3cccc1c23 587103352 GCMICLVIAGTEAS-UHFFFAOYSA-N 365.367 5.129 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1ccc(F)cc1)CC3 587103815 JLZRSEYWUZYIFC-INIZCTEOSA-N 365.407 5.663 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587113074 JRNREFJBTDGIGV-MRVPVSSYSA-N 374.193 5.630 0 1 FKAF COc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1F 587125371 PSEMTPFSSOASDW-QPJJXVBHSA-N 368.355 5.493 0 1 FKAF Cc1ccc(COc2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587397650 AFPJEJSKQYDXSD-HSZRJFAPSA-N 373.452 5.171 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(F)c(Cl)c1F)CC2=O 587465778 KLGLQXUJQAKDST-AWEZNQCLSA-N 370.754 5.122 0 1 FKAF COc1ccc([C@H]2C[C@@H]2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526966 TVYRKAUEOAUXGF-ZFGGDYGUSA-N 362.469 5.102 0 1 FKAF O=C1C[C@H](c2ccc([C@H]3CCCCO3)o2)Oc2c1ccc1c2CCCC1 587534627 WVMNSDICRZNYBX-WIYYLYMNSA-N 352.430 5.107 0 1 FKAF CC(C)C1CCC([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587602248 HDCRJNFZJSODMB-SCMFWSBQSA-N 366.457 5.185 0 1 FKAF Cc1c([C@@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2ccc(F)c(Cl)c12 587631911 LYLDESWMQUALLP-AWEZNQCLSA-N 366.864 5.731 0 1 FKAF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 587828479 NQVTVVPOWBMRGV-MGNBDDOMSA-N 374.253 5.266 0 1 FKAF CC(C)(C)Oc1ccc(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587946037 RQWXSIGHSIRSQD-KRWDZBQOSA-N 357.425 5.325 0 1 FKAF Cc1c(F)ccc2c1[C@](Cc1ccc(F)cc1)(c1ccc(F)cc1)NCC2 962087479 FDAMGEGURRZGQS-QHCPKHFHSA-N 367.414 5.044 0 1 FKAF c1ccc(-c2cc([C@H]3COC4(CCCCC4)O3)n(-c3ccccc3)n2)cc1 1857566257 ZEJUEEVSIVLJNO-JOCHJYFZSA-N 360.457 5.288 0 1 FKAF O=S(=O)(Oc1ccc(-c2ccc3sccc3c2)cc1)C1CCCCC1 1857619879 XMBFRIXXCQULMV-UHFFFAOYSA-N 372.511 5.610 0 1 FKAF C[C@H]1C[C@@H](C(=O)Nc2nc3cc(C(F)(F)F)ccc3s2)CC(C)(C)C1 1857767239 FJBMFFFOSCWZTA-WDEREUQCSA-N 370.440 5.716 0 1 FKAF C[C@]12CC[C@H](Cc3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12 2356315833 UYEUVWXDRDBSDY-SFMMMLIKSA-N 350.590 7.278 0 1 FKAF CCC=C(C)C[C@H](C)C(=O)[C@@H](C)C1=C(C)[C@H]2O[C@@](CC)(O1)C(C)=C[C@@H]2C 2356553979 NXFSSBOUIVVCNL-VSQKUIHHSA-N 360.538 5.966 0 1 FKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CCC(C)=CC(=O)O)C(C)=CC[C@H]2C1(C)C 2356600363 JAOSZJFNMXPMLX-PSHVLCQKSA-N 362.510 5.138 0 1 FKAF COP(=O)(/C=C(\Cl)c1ccccc1)/C=C(\Cl)c1ccccc1 3227331 SFZKROWFCCMMAJ-MCOFMCJXSA-N 353.185 6.386 0 3 FKAF O[C@@H](c1ccc(F)c(F)c1)c1nc(-c2ccc3ccccc3c2)cs1 61905105 DNZPEQZOYAVACT-IBGZPJMESA-N 353.393 5.323 0 3 FKAF CCCN1C[C@H](CSC)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21 3794330 OMMSKDBHENNRNV-OZOXKJRCSA-N 356.579 5.325 0 1 FKAF investigational CCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(CCC)cc(OC)c1 13339598 MWHUTAVRYIBHAV-UHFFFAOYSA-N 372.461 5.011 0 1 FKAF biogenic Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2)CC1 28708219 MHYKPRJMOSXVFG-UHFFFAOYSA-N 371.524 5.376 0 1 FKAF in-vivo Cc1cccc(NC(=S)N2N=C(c3ccccc3)C[C@H]2c2ccccc2)c1 28709441 FHTPSJJPZYAXOU-QFIPXVFZSA-N 371.509 5.543 0 1 FKAF Clc1ccccc1C[C@@H](Cc1ccc(-c2ccccc2)cc1)n1ccnc1 32090097 IKHOVTYQYZIIMZ-HSZRJFAPSA-N 372.899 6.230 0 1 FKAF CCCSC(=O)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233070 DADMQVDTWWROCU-AWEZNQCLSA-N 359.278 5.211 0 1 FKAF Cc1nccn1CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 66259565 HSGJOWAKEABYHO-LJQANCHMSA-N 360.379 5.421 0 1 FKAF COc1cccc(NCC[C@]2(c3cccc(Cl)c3)CCOC(C)(C)C2)c1 72110042 FKCWGSMKEAULRK-QFIPXVFZSA-N 373.924 5.678 0 1 FKAF CCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc21 96908251 AXPGLXCAPDKAJH-YYDJUVGSSA-N 358.872 6.214 0 1 FKAF CCCCCCOc1ccc(-n2cnnc2-c2ccc(Cl)cc2)cc1 103271762 DKGICUWQDQUVJL-UHFFFAOYSA-N 355.869 5.547 0 1 FKAF CC1(C)C2=CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)Cc2cnoc21 169359913 AXLOCHLTNQDFFS-BMSLBHKISA-N 355.522 5.038 0 1 FKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 586885803 DHZDGHOOVOGOPH-KSFYIVLOSA-N 374.509 5.860 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc5c(c4)CCC5)nc13)-c1ccccc1C2=O 587099681 SACUZLGSASBTGG-UHFFFAOYSA-N 361.444 5.910 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H](c1ccccc1)CC4)-c1ccccc1C2=O 587101917 XEQLJCNMDPYCCN-KRWDZBQOSA-N 361.444 5.833 0 1 FKAF COc1cccc(Cc2cnc3cccc4c3c2-c2ccccc2C4=O)c1F 587102730 FATPAPAOHKOFTL-UHFFFAOYSA-N 369.395 5.185 0 1 FKAF FC(F)(F)c1cc(Br)cc2nc(C3(F)CCCCC3)[nH]c12 587131423 HCVGUASEZVKMKK-UHFFFAOYSA-N 365.168 5.473 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(Cl)ncc3[nH]2)c1 587159343 ZBULHIZOXZVMRR-UHFFFAOYSA-N 367.811 5.017 0 1 FKAF Fc1ccc(Oc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c(F)c1 587210395 QXJUNBCCRNECGC-UHFFFAOYSA-N 359.375 6.071 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2cc3ccccc3cc2[nH]1 587240707 PLDRNFPIYYQUGS-UHFFFAOYSA-N 365.436 6.135 0 1 FKAF [C-]#[N+]c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587333085 HLQOEEVKPWQZOT-JTHBVZDNSA-N 373.383 5.356 0 1 FKAF Cc1ccc(-c2nc3c(s2)-c2nc4cccc5c4c(c2CC3)CC5)cc1 587361699 ZDFBVNGXGXUBBC-UHFFFAOYSA-N 354.478 5.531 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Cc3ccccc3)s1)O2 587409651 IXJGLXZQJCYSAC-JOCHJYFZSA-N 363.482 5.110 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4cccc(C)c4)c1)[C@@H](C2)C3=O 587445148 ILLMHCQWHPWDRD-GBXCKJPGSA-N 356.421 5.159 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1ccc(Cl)s1)CC2=O 587496301 VRXDPFXGFZTKLB-LJQANCHMSA-N 364.894 5.720 0 1 FKAF Cc1[nH]c2c(Cl)cccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496387 BMTXJPGDKYOCTR-LJQANCHMSA-N 365.860 5.715 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1CCC1 587602931 LQMZPQTZCNEYBM-ZJSXRUAMSA-N 372.420 5.049 0 1 FKAF CCc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)(F)F)cc1 587624270 IPKJTYWJPXRPMD-UHFFFAOYSA-N 365.782 6.104 0 1 FKAF Cc1ccc(O)c(-c2[nH]c3cc(F)ccc3c2C(=O)c2cccc(F)c2)c1 587634179 DCSKXKKBPFRDOW-UHFFFAOYSA-N 363.363 5.358 0 1 FKAF Fc1ccc(-c2[nH]c3cc(F)ccc3c2CSc2ccccn2)cc1 587634498 HKKPBOCIJFJIEY-UHFFFAOYSA-N 352.409 5.800 0 1 FKAF CCOC(=O)CCc1c(-c2ccccn2)[nH]c2ccc([C@@H](C)CC)cc12 587643949 LETSYSJKOFAIHK-HNNXBMFYSA-N 350.462 5.239 0 1 FKAF Cc1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587699062 RIFZPMXEZLAXNE-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(Cl)cc2[nH]1 587782486 MEEAXOCOHBHAJN-UHFFFAOYSA-N 350.805 5.168 0 1 FKAF CCc1cc(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587817579 CTRRXROKJMEGGA-BUXKBTBVSA-N 362.286 5.083 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc(Cl)cc(F)c4[nH]3)ccc2c1 587934627 KPKMGUMKBHBRCM-LLVKDONJSA-N 354.812 5.669 0 1 FKAF Fc1cc(Cl)cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587954687 AWMJSPKQQQYHJR-QGZVFWFLSA-N 350.824 5.730 0 1 FKAF Cc1c(F)ccc2c1[C@H](c1ccc(-c3ccc(F)c(Cl)c3)cc1)NCC2 962380593 WWRXRSUXRIZQMP-QFIPXVFZSA-N 369.842 5.829 0 1 FKAF CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962693173 AFRHZRPNHNXLDF-LYZACZEUSA-N 359.554 5.231 0 1 FKAF COc1ccc(C[C@H](C)[C@H]2NCCc3c(Cl)cc(Cl)cc32)cc1F 963101433 AXTFQADNGMXQRF-JEOXALJRSA-N 368.279 5.207 0 1 FKAF C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21C[C@H]1CCC(=O)O 1772597397 INLPJNDFHSWGCE-STLSHPIGSA-N 372.549 5.469 0 1 FKAF CCc1ccccc1-c1cccc2cc(CNCCCC(=O)O)sc12 1772603056 SSFAGLSGBSHBQL-UHFFFAOYSA-N 353.487 5.085 0 1 FKAF O=C(c1cccc(Cl)c1)c1cnc(Nc2cccc(C(F)(F)F)c2)[nH]1 1857605579 LMCADHIRLLGZGG-UHFFFAOYSA-N 365.742 5.057 0 1 FKAF CC(=CC=C[C@H](C)C(=O)O)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@]12C 2356386527 MCGZTMASYFHHQZ-XZDHIHRUSA-N 358.566 6.933 0 1 FKAF CCCCCCNC(=O)c1cc(OCc2ccccc2)c2ccccc2c1 2382259249 DHBVSPLWQWVNGI-UHFFFAOYSA-N 361.485 5.729 0 1 FKAF COc1ccc(Cc2c(-c3ccco3)nc3ccc(Cl)cn23)c(C)c1 72120533 GVNBTXJHLCNHNM-UHFFFAOYSA-N 352.821 5.156 0 3 FKAF Clc1ccc(-c2nnc(COc3ccc(-c4ccccc4)cc3)o2)cc1 7263232 FEUBBOQIMSPZEV-UHFFFAOYSA-N 362.816 5.636 0 1 FKAF CC(C)=Cc1oc2c3c1C(=O)c1ccccc1C(=O)c3c(O)c1ccccc12 14684984 FBPAAHMWMMZDAL-UHFFFAOYSA-N 368.388 5.490 0 1 FKAF biogenic CN(C)Cc1cccc2ccc(-c3ccc4cccc(CN(C)C)c4c3)cc12 29398435 JJAPGFRZQGKFJN-UHFFFAOYSA-N 368.524 5.783 0 1 FKAF O=C(CCCCCCc1ccccc1)c1ncc(-c2cccc(F)c2)o1 35259923 WQCULMFTJFIQCX-UHFFFAOYSA-N 351.421 5.857 0 1 FKAF CC1(c2cc(-c3ccc(/C=C/C(=O)O)cc3Cl)ccc2O)CCCCC1 40392617 SPCYQAVBCOCHLI-UXBLZVDNSA-N 370.876 6.032 0 1 FKAF COc1ccc(-c2cc(=O)c3cc(CNc4ccc(C)cc4)ccc3o2)cc1 45300013 JLDLBCQTTWGOCH-UHFFFAOYSA-N 371.436 5.389 0 1 FKAF Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1C 49110315 HHUHDROQLLILRW-CPJSRVTESA-N 361.529 6.011 0 1 FKAF CC[C@H](C)Cn1c(C(C)C)nc2c(NCc3cccc(Cl)c3)ncnc21 82181350 DUVGVICDHRVNEV-AWEZNQCLSA-N 371.916 5.261 0 1 FKAF COc1cc(C(=O)O)c(O)c2ccc3c(c12)C=C[C@](C)(CCC=C(C)C)O3 84710410 MPFRBGNULMTVEA-QFIPXVFZSA-N 368.429 5.163 0 1 FKAF biogenic COC(=O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc12 96923842 YTZISGBVBQLBJE-UHFFFAOYSA-N 373.383 5.620 0 1 FKAF O=C1NC[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2ccccc2c1 96929916 YHCGXHXZKOJYFY-VQIMIIECSA-N 356.252 5.144 0 1 FKAF CN1[C@H]2CC[C@H]1[C@H](CCCc1ccccc1)C[C@@H]2CCCc1ccccc1 101051071 KRWUAJWHGJBNDT-QYOOZWMWSA-N 361.573 6.131 0 1 FKAF C1=C(c2ccccc2)CCN(Cc2cn(-c3ccccc3)c3ccccc23)C1 103265618 DAQKAFDCAWFAKG-UHFFFAOYSA-N 364.492 5.920 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccco2)C[C@@H](c2ccccc2)C1 104698458 BJAICVBSBVVNKM-MWTRTKDXSA-N 356.425 5.909 0 1 FKAF CC(C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936791 BKWBRNDZAJHCMT-HOLRIKFESA-N 370.621 6.775 0 1 FKAF endogenous,in-man CCCc1cc(=O)oc2cc(OC3CCCC3)c3c(c12)OC(C)(C)C=C3 169336471 HBALDZQHHJFEQR-UHFFFAOYSA-N 354.446 5.251 0 1 FKAF Cc1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[nH]c2c1 473112081 CWKFSYXJNBEVKE-UHFFFAOYSA-N 368.415 5.530 0 1 FKAF Oc1ccc(-c2nc(-c3ccc4c(ccn4Cc4ccccc4)c3)no2)cc1 473145166 BIHOHGTXTDYPHX-UHFFFAOYSA-N 367.408 5.112 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1C[C@H]3[C@H]2CCC[C@@H]21 586990962 PDKMBPYGOKLWFI-GVAFMPQTSA-N 353.421 5.153 0 1 FKAF Cc1nc2c(C)ccc3c2c(c1CC1CCCCC1)-c1ccccc1C3=O 587099594 OEUXYSJYHYRQAE-UHFFFAOYSA-N 355.481 6.186 0 1 FKAF O=C1c2ccccc2-c2cc(-c3c(F)cccc3Cl)nc3cccc1c23 587104001 PLYCZRGWVMCEJY-UHFFFAOYSA-N 359.787 5.906 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1ccccc1)CCC3 587207534 MYEYWKQRPNYGFZ-QGZVFWFLSA-N 361.444 5.914 0 1 FKAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587234868 ALSCITGVGCJGTA-HZPDHXFCSA-N 371.525 5.411 0 1 FKAF Cc1cc(Cl)cc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc12 587245539 ZHOXCVPCPVYQOG-UHFFFAOYSA-N 361.832 5.444 0 1 FKAF Nc1ccc(/C=C/c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 587251659 KGXAQFPNNLHUTD-KPKJPENVSA-N 368.465 5.592 0 1 FKAF Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)c1coc2ccccc12 587281101 VJFZZWMHHPLVAG-UHFFFAOYSA-N 372.207 5.934 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1ccccc1)(c1ccccc1)O2 587404067 UJJWUFZZZQZFHH-XMMPIXPASA-N 357.453 5.071 0 1 FKAF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccc(F)cc12 587508682 QFBVPDIPZVHSCF-FQEVSTJZSA-N 350.389 5.466 0 1 FKAF O=C1C[C@@](c2c[nH]c3ccccc23)(C2CC2)Oc2c1ccc1c2CCCC1 587521998 DKXWIXVMMMKBIQ-DEOSSOPVSA-N 357.453 5.317 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]1CCCC[C@@H]1C2 587601593 DUNPQHKIXGKOJP-BORIIKKCSA-N 364.441 5.083 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c([C@](C)(O)C(F)(F)F)c2c1 587641278 MECPMQVURQPXQT-CLAHSXSESA-N 353.306 5.470 0 1 FKAF Cc1ccc(/C=C\[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587814327 HBGBDOSUYFLUEX-BSGQAMDWSA-N 374.297 5.359 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C)c(Br)cc2[nH]1 587950384 LALHHSYUQZDSAG-PPHDSNJXSA-N 365.315 5.680 0 1 FKAF Clc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Cl 587956509 RXZPICGSRVQIFY-MRXNPFEDSA-N 367.279 6.244 0 1 FKAF C[C@@H]1CC=CC[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587966816 GYEHUICKERFRKE-PSASIEDQSA-N 359.189 5.414 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3ccccc3c2)n1 653677652 AZAAPOVQTZCSJV-HSZRJFAPSA-N 365.480 6.095 0 1 FKAF Fc1ccccc1CC[C@H]1CN(Cc2ccc(Cl)cc2)CCC1(F)F 1772623260 FLFHHDGNNFZBKO-KRWDZBQOSA-N 367.842 5.569 0 1 FKAF O=C(c1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12 1857601730 OWLUEJZGOUAUGS-UHFFFAOYSA-N 363.819 5.713 0 1 FKAF CCCCNC(COc1ccc(Cl)cc1)COc1ccc(Cl)cc1 2178320085 GHTAWTYXELKPPZ-UHFFFAOYSA-N 368.304 5.210 0 1 FKAF CC(=CCc1c(O)cc(C)c(C=O)c1O)CC[C@]1(C)[C@@H](C)CCC(=O)[C@H]1C 2356561716 JSPPDMSCDGJJOM-YGKZAACZSA-N 372.505 5.129 0 1 FKAF O=C(CCCCCCCCCCc1ccccc1)c1c(O)cccc1O 1622615 JEUSOLAWSNFKCL-UHFFFAOYSA-N 354.490 6.034 0 1 FKAF biogenic,in-vitro CN1[C@H]2CC[C@@H]1CC(CCO[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 13487735 GCAHRQVSTZKWEH-GFONPWLDSA-N 369.936 5.709 0 1 FKAF Cc1cc(C[C@H](C)[C@H]2CC[C@@H](C)[C@@H](c3ccc(O)c(C)c3)C2)ccc1O 17325540 VLPXHDDRKFSEFV-FZPGNPMOSA-N 352.518 6.113 0 1 FKAF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](OS(=O)(=O)O)C(C)C 26149444 JCMCXNPYUSHIHF-LSTDLKDCSA-N 358.544 5.019 0 1 FKAF CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNC[C@@H]1CCCN1 26182610 LAHSBDBGBNBBCE-UHRQBARKSA-N 368.609 5.162 0 1 FKAF CCCCC1(CCCC)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1 26834912 UYJVQPVZUMEFJQ-UHFFFAOYSA-N 360.582 7.041 0 1 FKAF c1ccc(CCN2CC[C@@H]3C(=C(c4ccccc4)c4ccccc43)C2)cc1 28262139 YXPLOVCCZIIMJL-QHCPKHFHSA-N 351.493 5.534 0 1 FKAF CC[C@@H](C)NCCCCCCNc1cc(OC)cc2c(C)cc(C)nc12 29569537 GXOCUWYFDGGSTN-QGZVFWFLSA-N 357.542 5.221 0 1 FKAF CCC/C=C/CSC[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 40747126 QXBFRDGMYMBQMJ-KRHMWAIZSA-N 352.540 5.071 0 1 FKAF CCCCOP(=O)(OCCCC)O[C@@H](c1ccccc1)C(F)(F)F 45284457 BREZEIOVGIZIOU-HNNXBMFYSA-N 368.332 6.048 0 1 FKAF in-vivo CCC(=O)Nc1ccc2nccc(Nc3cccc(Br)c3)c2c1 49070873 UATWOAYHIISFBR-UHFFFAOYSA-N 370.250 5.089 0 1 FKAF CCCC[C@H](CC)[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 59529650 KCOVIXLDRHLDSU-FGXAEFFCSA-N 366.542 5.140 0 1 FKAF Cc1cccc(C)c1-c1cccc(COc2ccc([C@@H](C)CC(=O)O)cc2)c1 66104946 BBONBXQNPVADJZ-IBGZPJMESA-N 374.480 6.128 0 1 FKAF CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1 66112744 FAGNHYATXSRTMR-UHFFFAOYSA-N 372.255 5.466 0 1 FKAF Clc1cccc(-c2c[nH]c(-c3cccc(CN4CCCCC4)c3)n2)c1 66259453 RIIUYJZMROARCU-UHFFFAOYSA-N 351.881 5.383 0 1 FKAF Clc1ccc(CO[C@H](CCn2ccnc2)c2ccco2)c(Cl)c1 71330122 DUJLSVOVMHKOBI-QGZVFWFLSA-N 351.233 5.131 0 1 FKAF CC(C)(C)c1ccc(/C=C/c2nc3cc(-c4ccccc4O)ccc3[nH]2)cc1 117155252 JLWSAKLQYQDRPS-XNTDXEJSSA-N 368.480 6.403 0 1 FKAF Cc1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1C 586960871 QMFGRGLYLNEPKK-HHHXNRCGSA-N 374.509 5.218 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](C(F)(F)F)C4)-c1ccccc1C2=O 586995142 IYLUXFXPFAMZJE-LBPRGKRZSA-N 367.370 5.422 0 1 FKAF Cc1ccc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2c1 587062873 BXSADUXBKPPECI-UHFFFAOYSA-N 353.809 5.067 0 1 FKAF Cc1ccc2c3c(cc(COCc4ccccc4)nc13)-c1ccccc1C2=O 587096543 DWCIBVITAHXMFX-UHFFFAOYSA-N 365.432 5.471 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)ccc2F)cc1 587139833 ZOJRTFXMCZNZSK-UHFFFAOYSA-N 364.807 5.892 0 1 FKAF Fc1cc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1Br 587149739 ANFMJHFSFIHBEJ-BDAKNGLRSA-N 367.168 5.014 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 587164170 OHPMRMPJBIMHFW-UHFFFAOYSA-N 364.232 5.799 0 1 FKAF C[C@]1(C2CCCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353607 LLLNHXMJYVHNJD-FYYLOGMGSA-N 368.448 5.619 0 1 FKAF COc1cccc(-c2cc(C3(O)CCCC3)nc3c2oc2ccccc23)c1 587365470 HORFHYYBIRLPQG-UHFFFAOYSA-N 359.425 5.418 0 1 FKAF COc1cc2c3c(c1)O[C@@](CCc1ccc(Cl)cc1)(C(C)C)[C@@H](C2)C3=O 587419344 DQOUALONRHGQNE-AVRDEDQJSA-N 370.876 5.124 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(C(C)C)cc31)CC2=O 587492566 RFRGWBITKXQOIQ-HSZRJFAPSA-N 366.457 5.111 0 1 FKAF CC[C@H](C)c1ccc([C@@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522571 IYKXVPZWXAQYEO-SSOJOUAXSA-N 362.513 6.350 0 1 FKAF CC[C@]1(c2ccc3c(c2)CCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587535162 JAIRDYNVDZIXEL-XMMPIXPASA-N 362.469 5.161 0 1 FKAF Cc1cccc2c1[C@H](C)C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604971 WLAHCLCVVRGBCJ-OECQAKIHSA-N 372.420 5.065 0 1 FKAF CC1=C[C@]2(CC(C)(C)C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587824806 YUFMCUVDLMEIRO-KZULUSFZSA-N 352.291 5.084 0 1 FKAF CCc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587844512 BLDLHPFCQNRSSN-BTDLBPIBSA-N 368.315 5.010 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccc(Cl)cc2s1 587872120 HWADZGJPZLRNJA-UHFFFAOYSA-N 373.840 5.340 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(Br)cc(C)c2[nH]1 587950359 KKEOPWOFQXFLRB-XFJVYGCCSA-N 365.315 5.680 0 1 FKAF CN1CC[C@H](CCC/C=C/c2ccccc2-c2ccccc2)[C@@H](C(=O)O)C1 653723252 HERLKGKGEDDXSY-XPWWKEBLSA-N 363.501 5.190 0 1 FKAF Cc1c(F)cc(Cl)c([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c1F 963103845 OFIAALZKYTXNGO-YJYMSZOUSA-N 351.799 5.176 0 1 FKAF C[C@]1([C@@H]2C[C@H]2c2ccc(Cl)cc2)c2c(F)cccc2C[C@H]2CCCN21 963114517 VMHWOMJKJLBIGD-MOXWOTFGSA-N 355.884 5.519 0 1 FKAF O=C(O)c1ccccc1Nc1ccc(OCc2ccc3ccccc3n2)cc1 600652 KNXMLJDLGKTLBF-UHFFFAOYSA-N 370.408 5.256 0 1 FKAF investigational CN(C(=N)Nc1cccc2ccccc12)c1cccc(OC(F)(F)F)c1 1542656 YHDGYRFJAXXBJI-UHFFFAOYSA-N 359.351 5.221 0 1 FKAF CC(C)[C@@H](c1cn(Cc2ccc(Cl)cc2)c2ccccc12)n1ccnc1 3648641 DPEALSQQNAVUDN-QFIPXVFZSA-N 363.892 5.785 0 1 FKAF Cc1c(C)n([C@@H](C)c2ccccc2)c2ncnc(N[C@@H](C)c3ccccc3)c12 13756605 PQWKBENBHSNINP-HKUYNNGSSA-N 370.500 5.831 0 1 FKAF CC1(C)CCC(C)(C)c2cc3c(cc21)CC/C3=C\c1ccc(C(=O)O)cc1 13815323 GSEDYDKZYWSPMV-QGOAFFKASA-N 360.497 6.221 0 1 FKAF CCOC(=O)c1oc2cc(-c3c(Cl)cccc3Cl)cc(O)c2c1C 28382499 RTAPZPMIBUEDNJ-UHFFFAOYSA-N 365.212 5.597 0 1 FKAF CCC[C@@]1(CC(=O)O)OCCc2c1sc1c(Cl)ccc(Cl)c21 28566873 JKKBPDMCEWOXKT-INIZCTEOSA-N 359.274 5.251 0 1 FKAF CCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 28708234 HFALMYBPBZADRA-UHFFFAOYSA-N 371.524 5.804 0 1 FKAF in-vivo CCCCNC(=O)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 28826573 IIEMZQTXNZURFZ-UHFFFAOYSA-N 355.221 5.069 0 1 FKAF Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccco2)cc1 28890465 IFDVBNXJLXBFFK-UHFFFAOYSA-N 361.420 5.755 0 1 FKAF CC1=CCC[C@@H](C)[C@@]1(C)CC/C(C)=C/CC/C(C)=C/CCC1=CC(=O)OC1 38895828 QKFVAMNZQMXWPV-XHQUFTFYSA-N 370.577 7.085 0 1 FKAF Cc1cccc(/C=C\Cc2ccccc2C(=O)O)c1OCc1ccccc1 64230353 FEWYGEOTAHXBJT-NVNXTCNLSA-N 358.437 5.528 0 1 FKAF FC(F)(F)c1ccc([C@@H](Nc2ccccn2)c2c[nH]c3ccccc23)cc1 95559876 RYQQXLTVWDTZSZ-HXUWFJFHSA-N 367.374 5.783 0 1 FKAF CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccc(F)cc1 100632719 LOCAWWIMTNSDTF-OAQYLSRUSA-N 350.393 5.002 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccccn2)C[C@@H](c2ccccc2)C1 102563684 XVGNNWYEOHOOTA-OSPHWJPCSA-N 367.452 5.711 0 1 FKAF CC[C@@H](COc1cccc(Cl)c1Cl)OC(=O)NCc1ccccc1 103190845 HCNBGKKLHHLELB-AWEZNQCLSA-N 368.260 5.077 0 1 FKAF CC/C=C\C/C=C\C/C=C\C=C/C/C=C/C/C=C\CCC(=O)NC(C)C 169346224 IAWCXTZGAPEZON-BBFQLQTGSA-N 355.566 6.599 0 1 FKAF Cc1noc(C)c1-c1ccc(-c2nc3ccccn3c2NC(C)(C)C)cc1 299838016 PYSNXKMCLSEZMX-UHFFFAOYSA-N 360.461 5.484 0 1 FKAF ClC1=C(c2nnc(Nc3ccccc3)s2)CCCc2ccccc21 299862149 JGHWJBCYXJNKQP-UHFFFAOYSA-N 353.878 5.725 0 1 FKAF FC(F)(F)c1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Cl 586885695 NJZHWGQIFHHQME-ACJLOTCBSA-N 362.782 5.607 0 1 FKAF c1ccc(Sc2ccc3nc(-c4csc5c4CCOC5)[nH]c3c2)cc1 587032257 RGDRUXDTVJYZHT-UHFFFAOYSA-N 364.495 5.515 0 1 FKAF FC(F)(F)c1ccc(-c2nc3cncc(Cl)c3[nH]2)c(C(F)(F)F)c1 587095008 MCPISRHKGPNSPK-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(F)c(F)cc3[nH]2)cc1F 587148983 FNWCCGRBOKVBGC-LJQANCHMSA-N 372.321 5.288 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3c(Br)cncc3[nH]2)cc1 587164684 VBENUVOVROAVED-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 587250912 RUMFNRUUBFGUHR-UHFFFAOYSA-N 369.346 5.378 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(C)c(C)c1)O2 587406650 TWSDADLPAKNHNN-DEOSSOPVSA-N 357.453 5.103 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(C(C)C)cc31)CC2=O 587492571 RFRGWBITKXQOIQ-QHCPKHFHSA-N 366.457 5.111 0 1 FKAF O=C1C[C@@H](c2ccc(F)c(OCC3CC3)c2)Oc2c1ccc1c2CCCC1 587509069 WWGGQYPDRAIYFC-NRFANRHFSA-N 366.432 5.200 0 1 FKAF O=C1C[C@@H](c2ccc(Oc3cccnc3)cc2)Oc2c1ccc1c2CCCC1 587516073 UMCFFUJNCJGLMA-QHCPKHFHSA-N 371.436 5.459 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2C(C)(C)C)N1 587824827 ZAZWEGCZJBKPEK-JLBUNGTFSA-N 368.334 5.554 0 1 FKAF COc1cc2[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)nc2cc1C 587928820 NAMOMFOKLQLXTL-UHFFFAOYSA-N 374.440 5.231 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccsc2Br)N1 962944940 GHBUTRGMRVDCEI-ZUZCIYMTSA-N 361.308 5.006 0 1 FKAF Fc1ccccc1C[n+]1ccc(Cn2c3ccccc3c3ccccc32)cc1 1857537690 JNWYEEZWKOJXQJ-UHFFFAOYSA-N 367.447 5.318 0 1 FKAF COc1cc(C)c2c(c1)CC[C@@](C)(CCC=C(C)CC=C[C@@H](C)C(=O)O)O2 2356388040 OJGFGARWDJAVNO-UZUQRXQVSA-N 372.505 5.481 0 1 FKAF COC(=O)c1ccc(O)c(C[C@@H]2C(C)=CC[C@@H]3C(C)(C)CCC[C@]23C)c1 13431214 ABUPJXVKVVYCOX-KKLQWCBXSA-N 356.506 5.520 0 1 FKAF biogenic COc1ccc([C@@H](Cc2cccnc2)c2ccccc2)cc1OC1CCCC1 13441950 GSTBLRBCBAOMLM-QHCPKHFHSA-N 373.496 5.786 0 1 FKAF Cc1c(C(=O)NCc2ccccc2)cc2ccccc2c1-c1ccccc1 13525324 BTWSOACHIJCWAV-UHFFFAOYSA-N 351.449 5.745 0 1 FKAF CN1[C@H]2CC[C@@H]1C[C@@H](c1ccc(Cl)cc1)[C@H]2c1nc2ccccc2s1 26651952 VNCQCMIYVRPIMZ-NDUPCHFUSA-N 368.933 5.684 0 1 FKAF CCC[C@H](O)/C=C/C=C\CCCCCCCc1cccc(O)c1C(=O)O 40891651 DCHNBONJWVKYDD-LHVSSVPVSA-N 360.494 5.247 0 1 FKAF COc1ccc(Cl)cc1NC(=O)Nc1cc(Cl)nc2ccccc12 64415699 NKAQTOWAUAZOOE-UHFFFAOYSA-N 362.216 5.194 0 1 FKAF CCCCP(=O)(CCCC)c1ccccc1OC(=O)c1cccc(N)c1 68600847 BRWOVHSJFWAISM-UHFFFAOYSA-N 373.433 5.077 0 1 FKAF biogenic c1ccc2cc(SCCCn3c4ccccc4c4ccccc43)ccc2c1 84707613 RRPUVDBFPNKEPB-UHFFFAOYSA-N 367.517 7.130 0 1 FKAF Fc1ccc(-c2cc(-c3nc4ccccc4[nH]3)c3cc(Cl)ccc3n2)cc1 84710735 VFVZSGAPOVLLCC-UHFFFAOYSA-N 373.818 6.238 0 1 FKAF Oc1cccc(-c2cc(-c3ccccn3)nc(-c3ccccc3Cl)c2)c1 95557598 YAFHQCGJCIZVSQ-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF CC(=O)C[C@@H](C)CCc1ccc(Oc2ccc(OCC3CC3)nc2)cc1 96167515 HNUKSZHVOZJOCP-INIZCTEOSA-N 353.462 5.211 0 1 FKAF O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2cc(F)ccc12 96927258 IKOGCCGJXXEPSR-UHFFFAOYSA-N 359.356 5.531 0 1 FKAF Fc1ccc(-c2nc3ccccn3c2-c2cccc(-c3ccncc3)c2)cc1 96927458 OWJDWWHEFMILGM-UHFFFAOYSA-N 365.411 5.869 0 1 FKAF CN1[C@H]2CC[C@H]1CC(CCO[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 100937815 GCAHRQVSTZKWEH-VABKMULXSA-N 369.936 5.709 0 1 FKAF CC1(C)CC2=Nc3cc4c(cc3[C@H](c3ccc(F)cc3)C2=C(O)C1)OCO4 102629502 JJHULZGYCISGOB-FQEVSTJZSA-N 365.404 5.405 0 1 FKAF O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 116590703 PPDLHURHMUIAKP-AWEZNQCLSA-N 366.244 5.229 0 1 FKAF Cc1cccc([C@H](CO)Nc2nc(-c3ccccc3C(C)C)ncc2C)c1 169303284 IOVBCXDKAQWYCM-NRFANRHFSA-N 361.489 5.029 0 1 FKAF CCOC(=O)/C=C(C)/C=C\C=C(C)\C=C(\F)c1c(C)cc(OC)c(C)c1C 169317429 OKKRRMNKKAUTKF-KYAWUXNISA-N 372.480 5.943 0 1 FKAF CC1=C([C@@H](C)CCCC(C)C)CC[C@]12CC[C@H]1[C@H]2CC[C@H]2CCCC[C@]12C 238738264 QNEPSTOKGZVQKP-BCXQAJTQSA-N 370.665 8.562 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991377 UMVBIKVKVCKFQC-ZIAGYGMSSA-N 357.453 5.789 0 1 FKAF Fc1cc(Cl)cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587063268 SBMWQDRRNOZMSW-UHFFFAOYSA-N 371.242 6.267 0 1 FKAF CSc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083081 FTTBKBKUALRNFP-UHFFFAOYSA-N 360.269 5.807 0 1 FKAF Fc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c(F)c1F 587083129 HURZFJSBYOPRIV-UHFFFAOYSA-N 368.145 5.502 0 1 FKAF Fc1cc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2cc1Cl 587149298 KUTOSKHXVHIEEM-IBGZPJMESA-N 369.802 5.696 0 1 FKAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 587168675 KWOPGSLMAZSLJK-MRVPVSSYSA-N 369.621 5.258 0 1 FKAF Cc1ccc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)c(O)c1 587207667 UXLLCYWPFMZWCD-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2ccnc(Cl)c2[nH]1 587240632 GXQAXGKBLWKFGJ-UHFFFAOYSA-N 350.809 5.031 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2cc(F)c(F)c(F)c2[nH]1 587241555 VVJMUYIBIRRNOH-UHFFFAOYSA-N 369.346 5.399 0 1 FKAF CC[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349628 GHTBFOQDCVASHU-QPJICYPMSA-N 354.421 5.229 0 1 FKAF C[C@]1(C2CCCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353615 LLLNHXMJYVHNJD-JTHBVZDNSA-N 368.448 5.619 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)c3ccccc13)O2 587390735 NRRGSHKIWDXPTD-HSZRJFAPSA-N 368.436 5.228 0 1 FKAF O=C1C[C@H](c2cccn2Cc2ccccc2)Oc2c1ccc1c2CCCC1 587512943 QCHPTRBVVQHXOX-HSZRJFAPSA-N 357.453 5.122 0 1 FKAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 587547873 VEWSQLZMBWZINR-NQIIRXRSSA-N 366.800 5.057 0 1 FKAF CC/C=C/CCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601152 FGIKFWCLFVAGKT-ABQVSZSXSA-N 352.430 5.249 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@H]2c2ccccc2)N1 587815177 KKHYZWQDLSDGGG-NZNSQFJMSA-N 374.297 5.141 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C=C2CCCCC2)N1 587815665 OMRUCGFCHXDEII-SGTLLEGYSA-N 352.291 5.228 0 1 FKAF CC(C)C1CCC([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587822260 JOGCTHYJTRAVPO-WBICIVBESA-N 368.334 5.626 0 1 FKAF CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@]1(C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587828744 PPESQVLLZOYVTP-DPHKTNCGSA-N 366.318 5.020 0 1 FKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(Br)cc(C)c2[nH]1 587932271 WUMZEOIGSXUCMT-AUUYWEPGSA-N 371.278 5.088 0 1 FKAF COc1ccc2c(c1)C[C@@H](c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)CC2 587938603 ZCZOZRJYGVQZDO-NSHDSACASA-N 364.342 5.002 0 1 FKAF Cc1c(-c2csc(Nc3cc4ccccc4cn3)n2)oc2ccccc12 621429272 VLIQKQUBKBGPJA-UHFFFAOYSA-N 357.438 6.157 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccc(O)cc2C3)c1 1857534645 UGEWSYFGTUNEDL-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF Cc1cc(N(C)c2ccc3c(c2)c2ccccc2n3C)c2ccccc2n1 1857558935 HNFYXEYNFBSZFB-UHFFFAOYSA-N 351.453 5.956 0 1 FKAF CC1=C[C@H](O)CC(C)=CC[C@]2(C)CC[C@]3(C)CCC(C)(C)[C@H](O)[C@@H]3[C@H]2CC1 2356618291 MGTAYOKGQOZSLL-NUCMZNAFSA-N 374.609 6.034 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@@H]3CC[C@]12C 2356678108 SQZDQHJQQVBLCS-UURYOBNUSA-N 372.637 6.712 0 1 FKAF CC(C)=CCC/C(C)=C\Cc1c(O)c(C=O)cc2c1[nH]c1c(O)cccc12 14610480 AMGILDWXQUZPSP-GDNBJRDFSA-N 363.457 5.780 0 1 FKAF c1cncc(CC2(Cc3cccnc3)c3ccccc3Oc3ccccc32)c1 27896031 LWEYURVDQDRGNV-UHFFFAOYSA-N 364.448 5.354 0 1 FKAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3 85647221 VJUBACISBRYKMB-LATLRLHISA-N 370.621 6.919 0 1 FKAF Cc1ccc2c3c(ccc2n1)N=C1CCCC(O)=C1[C@H]3c1ccc(F)cc1 104105918 RJZFXBIKSGFONW-NRFANRHFSA-N 358.416 5.896 0 1 FKAF CCC(C)(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1 113766904 FFXKWMKMHAESDX-UHFFFAOYSA-N 364.514 5.704 0 1 FKAF CCCCCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144790010 FHGGLSNOHHHWAI-LJQANCHMSA-N 350.380 5.424 0 1 FKAF C/C1=C/C[C@]2(C)CC[C@@H]([C@@H](C)CC/C=C(\C)CO)[C@H]2C[C@H](O)/C(C)=C/CC1 238782844 ZWOMTRLSJCLHBD-FPSHQYFCSA-N 374.609 6.201 0 1 FKAF OCc1ccccc1-c1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1 586895122 PSXRWRFYQAOAFB-UHFFFAOYSA-N 350.421 5.542 0 1 FKAF FC(F)(F)c1cccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 587055151 SUZRXADVJFRMSU-FPLPWBNLSA-N 357.162 6.059 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc(F)c(F)c(F)c3)nc3cccc1c23 587104491 XBKMAPAOEPDOGX-UHFFFAOYSA-N 361.322 5.531 0 1 FKAF CCOc1ccc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587107739 VCLIPUITEMYCPX-UHFFFAOYSA-N 365.432 5.436 0 1 FKAF CCc1ccccc1NC(=O)c1nc2cc(Sc3ccccc3)ccc2[nH]1 587241171 PRKRAUPMUDIQEW-UHFFFAOYSA-N 373.481 5.529 0 1 FKAF CC1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCCCC1 587352019 ICXKAFNCVBAKAU-REWPJTCUSA-N 368.448 5.619 0 1 FKAF O=C1C[C@H](c2c(Cl)oc3ccccc23)Oc2c1ccc1c2CCCC1 587502035 SKOCAKIQHXWBCB-GOSISDBHSA-N 352.817 5.672 0 1 FKAF CCc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccccc12 587531493 GQVMBJRGIRLVDQ-XMMPIXPASA-N 360.453 5.755 0 1 FKAF CC(C)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587604438 WRZQARACCKQCPG-ZJSXRUAMSA-N 374.436 5.393 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587780646 XBXMSEUJSNMDJN-UHFFFAOYSA-N 367.811 5.483 0 1 FKAF C/C(=C/c1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587817415 BVLWSMRKQOFGER-JVIIUDPSSA-N 360.270 5.267 0 1 FKAF Cc1c(F)ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c12 587957662 OQPUYBSJMFGGGJ-UHFFFAOYSA-N 362.489 5.929 0 1 FKAF Cc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1 653829491 LYBBVPLEWYRNSH-UHFFFAOYSA-N 350.425 5.391 0 1 FKAF CN(Cc1ccc(CN(C)c2ccc(F)cc2)cc1)c1ccc(F)cc1 653837944 YCPBYAGCWFEDHL-UHFFFAOYSA-N 352.428 5.238 0 1 FKAF Cc1cc([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)sc1Br 963115402 WOQQXFYBXJEFJU-CZUORRHYSA-N 366.299 5.068 0 1 FKAF O=C(Nc1ncc(Cc2cccc3sccc23)s1)C1CCCCC1 1857757509 UOKJMTPXSLLCAD-UHFFFAOYSA-N 356.516 5.467 0 1 FKAF C[C@H]1C[C@H]1C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 2356731112 ZZBNLFUDCSYRKU-MOLFBCCASA-N 364.573 6.713 0 1 FKAF CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)c2ccccc2c1 13525314 NVRIFXXLPBHJAS-UHFFFAOYSA-N 351.449 5.779 0 1 FKAF COc1cc2c(cc1O)O[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]1[C@@H]2OC 14683867 JAGJWSBNJZPDNL-VOUHSTLWSA-N 374.521 5.482 0 1 FKAF biogenic CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)NC1CC1 26278618 WFDHVNIGSCUZMV-XMMPIXPASA-N 372.430 5.445 0 1 FKAF Cc1[nH]c2ccccc2c1C1=CCN(C[C@@H]2C[C@@H]2C(=O)c2ccccc2)CC1 45168482 BCXYITDQZWAHLP-UNMCSNQZSA-N 370.496 5.084 0 1 FKAF CCCCCn1c(CC(C)C)nc2c(NCc3ccccc3C)ncnc21 82180345 UQRAPJITAOCVFY-UHFFFAOYSA-N 365.525 5.136 0 1 FKAF Cc1ccc(SC[C@H](O)COc2ccc(-c3ccccc3)cc2)cc1 84690148 OYQSOOWOHUNCSN-HXUWFJFHSA-N 350.483 5.194 0 1 FKAF Cc1ccc([C@@H]2N=C(c3ccc(F)cc3)Oc3ccc4ccccc4c32)cc1 84731340 UGQUWDQWWJRSSM-DEOSSOPVSA-N 367.423 6.216 0 1 FKAF COc1cc2c(cc1[C@H](C)NCCCCc1ccccc1)C=CC(C)(C)O2 96932055 WAZVBMRNWDQKGT-SFHVURJKSA-N 365.517 5.553 0 1 FKAF CCOC(=O)c1c(-c2ccccc2)oc2ccc(Oc3ccc(C)cc3)cc12 169337527 GOLUANLRWQUAMD-UHFFFAOYSA-N 372.420 6.377 0 1 FKAF C/C=C\c1ccc2oc(-c3c(OC)cc(OC)c(OC)c3OC)cc2c1 263636243 DPMJPJLSSHPBNQ-SREVYHEPSA-N 354.402 5.167 0 1 FKAF O=c1cc(COc2ccccc2)[nH]cc1Oc1c(Cl)cccc1Cl 473114025 IDPWIDPJACBTDN-UHFFFAOYSA-N 362.212 5.053 0 1 FKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1 586878796 JXNDYNHMSCTJAW-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1 586962698 GRYFJPWLSWIODI-SNVBAGLBSA-N 363.280 5.025 0 1 FKAF CC(C)(Oc1ccc(Br)cc1)c1nc2cccc(Cl)c2[nH]1 586997319 WBMQWBALEUTVLW-UHFFFAOYSA-N 365.658 5.293 0 1 FKAF Clc1ccccc1NCc1nc2cccc(OCc3ccccc3)c2[nH]1 587062900 XZHCTJKZSFQMGQ-UHFFFAOYSA-N 363.848 5.407 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(C=O)s4)nc13)-c1ccccc1C2=O 587102370 OMSHXJZBEIRJMJ-UHFFFAOYSA-N 355.418 5.296 0 1 FKAF CCc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587110367 SKCNLMUXWKEXED-UHFFFAOYSA-N 372.312 5.754 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C=C(c1ccccc1)CC3 587206717 HFRZDTNMWIEHCP-UHFFFAOYSA-N 359.428 5.933 0 1 FKAF Brc1ccc2c(c1)CCCc1c-2nc2cccc3c2c1CC3 587208558 UWXAVALUKKKUBQ-UHFFFAOYSA-N 350.259 5.252 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(F)c(Cl)c1F)CC2=O 587465782 KLGLQXUJQAKDST-CQSZACIVSA-N 370.754 5.122 0 1 FKAF Cc1ccccc1-n1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587514012 DKESRVZTSISIEG-QHCPKHFHSA-N 357.453 5.371 0 1 FKAF CCCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520449 BULMOQWLCYDXSB-HSZRJFAPSA-N 350.458 5.235 0 1 FKAF O=C1C[C@@]2(CCNc3cc4ccccc4cc32)Oc2c1ccc1c2CCCC1 587525606 OJYMICLLBXQHCB-RUZDIDTESA-N 369.464 5.395 0 1 FKAF CC(C)(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587529453 CMELXNWYRVXMLF-NRFANRHFSA-N 350.458 5.275 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccccc3)cc2O)Oc2c1ccc1c2CCCC1 587534748 YBAVZUSNVJIFDU-XMMPIXPASA-N 370.448 5.645 0 1 FKAF CC[C@@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603718 RCMQDKBNGUSSCD-KNQAVFIVSA-N 352.430 5.083 0 1 FKAF Cc1ccc(-c2[nH]c3cccc(F)c3c2C(=O)c2cccc(F)c2)c(O)c1 587634839 TTWXGSPQQVXBBV-UHFFFAOYSA-N 363.363 5.358 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(N)c3)c(-n3nc(C)cc3C)c2c1 587641870 ICMJTQMNXQVPDL-CQSZACIVSA-N 358.489 5.733 0 1 FKAF Cc1cccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)[nH]c12 587808303 YDJIEVVNRUJKCN-WYRIXSBYSA-N 373.269 5.002 0 1 FKAF Cc1ccc(/C=C/[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587814331 HBGBDOSUYFLUEX-MYRNAVRBSA-N 374.297 5.359 0 1 FKAF CC(C)[C@H]1CC[C@]2(C[C@@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587822382 KCJUDZLYPAGLTN-FAYLSGKYSA-N 368.334 5.410 0 1 FKAF CCCCCCC(=O)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587864474 KIEYELSLRNMLMS-UHFFFAOYSA-N 368.399 5.578 0 1 FKAF Cc1cc2c(cc1F)[C@@](c1ccccc1)([C@@H](c1ccccc1)C(C)C)NCC2 962294154 ARTPCAMHWXEGQE-FTJBHMTQSA-N 373.515 5.963 0 1 FKAF Cc1ccc(C(=O)C[C@@]2(c3ccccc3)NCCc3cc(C)c(F)cc32)cc1 962303874 XVAZSJLHQDGALT-VWLOTQADSA-N 373.471 5.105 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2F)nc2c1Cc1c(O)cccc1-2 1857534333 LIAVPPYZUZDNCL-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CN(CCCCc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12 1857579551 IJCHLSOUODSNEP-UHFFFAOYSA-N 368.484 5.151 0 1 FKAF CC(=O)OCC=C(C)C[C@H](C)C[C@H](C)CCCCCCCCC(C)C 2356406513 YOKQQBWIWJYSNO-IFMALSPDSA-N 352.603 7.325 0 1 FKAF CC(=CCC[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C)CC[C@@H]3C(C)=CC[C@H]12)C(=O)O 2356523438 RLOJDPOJHFERLF-ZMEJKFMDSA-N 370.577 6.933 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@@H]3CCC4=CN(CC(=O)O)C=C[C@@H]4[C@@]3(C)CC[C@H]12 2356784680 PQUGGJDNPWLFES-WIWDPLAXSA-N 357.538 5.443 0 1 FKAF CCCCNc1c(-c2ccc(S[C@@H](C)CC)cc2)nc2cnccn12 61959831 CKOYFRGAOVPNAD-HNNXBMFYSA-N 354.523 5.499 0 3 FKAF Cc1cc(C[C@H](C)[C@H]2CC[C@H](C)[C@@H](c3ccc(O)c(C)c3)C2)ccc1O 1694899 VLPXHDDRKFSEFV-RDAXPCIFSA-N 352.518 6.113 0 1 FKAF Cc1ccc(-c2cn3c(nc4ccccc43)c(/C=C/c3ccco3)n2)cc1 5596403 HPKMPHSMTRQXDQ-OUKQBFOZSA-N 351.409 5.621 0 1 FKAF CC[C@@H](C)c1ccc(N2CCCN(c3ccc([C@H](C)CC)cc3)C2=N)cc1 13780648 PUGLCELYQWRJRC-RTBURBONSA-N 363.549 6.365 0 1 FKAF CCCCCc1cc2c(c(O)c1C(=O)OC)[C@@H]1CC(C)=CC[C@@H]1C(C)(C)O2 14722868 GHQWHEOOZNZPEX-SJORKVTESA-N 372.505 5.522 0 1 FKAF biogenic Cc1cccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)c1 14975362 MIDUFBKQPOWGMC-UHFFFAOYSA-N 358.401 5.029 0 1 FKAF CCCC1(CCC)CC(=O)[C@@H]([C@H](c2ccccc2)C2CCCC2)C(=O)O1 18100487 IKFCQUBSBRPKID-RTWAWAEBSA-N 356.506 5.432 0 1 FKAF CCCC[C@@H](C)Oc1c(OC)cc(N[C@H](C)CCCN)c2ncc(C)cc12 28218520 BZXQSWWSPPMCCV-IAGOWNOFSA-N 373.541 5.049 0 1 FKAF CN1CCN([C@H]2C[C@H](c3ccccc3F)c3ccc(Cl)cc32)CC1(C)C 59940973 BEJFETGIBLFMPS-RXVVDRJESA-N 372.915 5.082 0 1 FKAF O=c1oc(-c2ccccc2)c(-c2ccc(O)cc2)c2sc3c(c12)CCCC3 84653151 YHQZCRKYVPHBFI-UHFFFAOYSA-N 374.461 5.773 0 1 FKAF O=c1cc(-c2ccccc2)oc(O)c1[C@H](SC1CCCC1)C1CCCC1 101348311 RPLIDZHZRNKTNS-OAQYLSRUSA-N 370.514 5.920 0 1 FKAF CSc1cccc(N(C)C(=N)Nc2cc(SC[18F])ccc2Cl)c1 102038946 MPUJHSTUPTVTKR-SQZVAGKESA-N 368.921 5.564 0 1 FKAF CCSc1nnc(Cc2ccc(Cl)cc2Oc2ccccc2F)[nH]1 103263214 VBEWSSSLIXNFLM-UHFFFAOYSA-N 363.845 5.092 0 1 FKAF O=c1c2cc(OCCCC3CCCCC3)ccc2nc2n1Cc1ccccc1-2 299833780 WMSDYGBKZPKXPM-UHFFFAOYSA-N 374.484 5.165 0 1 FKAF Cc1cc2nc(-c3c(C)ccc4ccccc34)[nH]c2cc1Br 586884632 VMMGELODTFHFGO-UHFFFAOYSA-N 351.247 5.762 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(Cl)ccc4F)nc13)-c1ccccc1C2=O 586997566 ZIRPEWDLHAOIKT-UHFFFAOYSA-N 373.814 6.214 0 1 FKAF Cc1ccc2c3c(cc(-c4c(F)cccc4Cl)nc13)-c1ccccc1C2=O 586997600 ZUDJREXXVJUDMI-UHFFFAOYSA-N 373.814 6.214 0 1 FKAF COc1cccc(-c2ccc(-c3nc4cccc(F)c4[nH]3)c(Cl)c2)c1 587052351 PDGNJUZWMPGJAW-UHFFFAOYSA-N 352.796 5.698 0 1 FKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ccc(Cl)cc3[nH]2)c1 587094029 ZYOMZIRZHWFDKN-UHFFFAOYSA-N 364.676 5.921 0 1 FKAF FC(F)(F)c1cncc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587115594 QTMVMIZBOYDYFL-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF CC(C)(C)c1cccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587232390 SOJXYJJZWCWRBM-UHFFFAOYSA-N 359.473 5.410 0 1 FKAF COc1cccc(-c2c(C)c(-c3nccn3C)nc3c2oc2ccccc23)c1 587363549 TYGIRODWDLTIIJ-UHFFFAOYSA-N 369.424 5.366 0 1 FKAF COc1cc2c3c(c1)O[C@](c1ccccc1Cl)(C1CCCC1)[C@@H](C2)C3=O 587417671 DWWSYNSCVJFQAY-JTSKRJEESA-N 368.860 5.182 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(CCCCF)c1)CC2=O 587468934 ZQTAWJKPXAFBMW-NRFANRHFSA-N 356.437 5.343 0 1 FKAF CCCc1c(O)ccc2c1OC1(CC2=O)c2ccccc2-c2ccccc21 587477399 CCQAFWOLGLNYNI-UHFFFAOYSA-N 356.421 5.234 0 1 FKAF O=C1C[C@@H](c2ccc(-c3cccc(O)c3)cc2)Oc2c1ccc1c2CCCC1 587529710 CQFKWBLFIFEBLS-DEOSSOPVSA-N 370.448 5.645 0 1 FKAF O=C1C[C@@H](c2cc3c(Cl)cccc3s2)Oc2c1ccc1c2CCCC1 587536632 YCBMYDLMOKLSNQ-SFHVURJKSA-N 368.885 6.140 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3cccc(Br)c3[nH]2)cc1 587565146 YQNYQNIKIXNSKA-UHFFFAOYSA-N 373.294 5.592 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CCCCC2)(C2CC2)N1 587814294 GSXSCNLQMKUKJA-BLVKFPJESA-N 366.318 5.308 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3ccccc23)N1 587824878 ZUQRNMYGUCZEEG-MPBGBICISA-N 370.265 5.365 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccccc3o2)N1 587828407 NHAOPBVGLXQTII-NSPYISDASA-N 374.253 5.132 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C)nc2ccc(C)cc12 587871677 MXJDHHHWYXQJFL-UHFFFAOYSA-N 361.420 5.242 0 1 FKAF COc1ccc(C[C@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1OC 587926913 PUFVZKORHZTAMO-JTQLQIEISA-N 365.260 5.233 0 1 FKAF Clc1cnc2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1Cl 587958421 BFQKRZORPPBLGI-UHFFFAOYSA-N 354.240 5.523 0 1 FKAF CC[C@@]1(Cc2nc3cccc(C(F)(F)F)c3[nH]2)CC(=O)c2ccccc2C1 587962655 YQBWOJIIMWPUKX-FQEVSTJZSA-N 372.390 5.350 0 1 FKAF Cc1ccc(C(=O)C[C@]2(c3ccccc3)NCCc3cc(C)c(F)cc32)cc1 962303872 XVAZSJLHQDGALT-RUZDIDTESA-N 373.471 5.105 0 1 FKAF CCc1c([C@@]2(C)c3c(F)cccc3C[C@H]3CCCN32)oc2ccc(C)cc12 963102871 GFUKUHRMTJNQAR-MZNJEOGPSA-N 363.476 5.727 0 1 FKAF CC[C@]1(c2ccc(OC(F)F)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963114526 UOGQSVOZXHWUIT-KKSFZXQISA-N 361.407 5.101 0 1 FKAF CO[C@H]1CCCc2nc(Nc3ccc(Oc4ccc(F)cc4)cc3)sc21 1857770324 PEOXIVGWHQOKSV-SFHVURJKSA-N 370.449 5.842 0 1 FKAF COCC[C@H](CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]12C)C(=O)OC 2356509219 IARINBYKFZKPKN-JZJXAQOMSA-N 350.543 5.391 0 1 FKAF Cc1cc(OCCCN2CCCCC2)ccc1-c1cn2ccccc2c1C 1909688 OBLSNCNPUWHPQK-UHFFFAOYSA-N 362.517 5.478 0 1 FKAF CN(C)Cc1ccccc1-c1ccc2ncnc(NCc3cccs3)c2c1 4268482 NWZJEZPVYHKSJS-UHFFFAOYSA-N 374.513 5.032 0 1 FKAF Oc1cc2cc(-c3csc(-c4ccc(F)cc4)n3)cc3c2n1CCC3 8296968 QRRIOBHAMBQMGG-UHFFFAOYSA-N 350.418 5.223 0 1 FKAF Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc2ccccc2c1 13588612 XGSCMPIEIXHQAV-UHFFFAOYSA-N 374.484 5.584 0 1 FKAF CCOC(=O)c1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCO3)cc1 13652281 QXYCYAHDTWXJCZ-JQIJEIRASA-N 350.458 5.484 0 1 FKAF CCCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 26186906 UGBHNEOELUHXCF-UHFFFAOYSA-N 372.266 5.315 0 1 FKAF Cc1cccc(OC(=O)c2ccccc2Nc2ccnc(C(F)(F)F)c2)c1 28394947 HQTNQEDVPTXYCB-UHFFFAOYSA-N 372.346 5.372 0 1 FKAF Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)[C@H](O)[C@H]2C 35966237 YFJZCMOHVUUOJJ-FKIZINRSSA-N 354.881 5.465 0 1 FKAF CCCCCOc1nc2ccccc2cc1[C@H](O)C/C=C\CCCC(=O)O 36757829 MYQJVJVYZUFAJL-RDBXKPKDSA-N 371.477 5.038 0 1 FKAF Cc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3)n2)cc1 82163377 LQNSOFFWYZUCOM-UHFFFAOYSA-N 370.456 5.070 0 1 FKAF Cc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)o1 103872421 PMAGJJFGMZWYNU-BXKMTCNYSA-N 370.452 6.217 0 1 FKAF Cc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113656287 NMIWYCWLYFRSLJ-UHFFFAOYSA-N 353.469 5.315 0 1 FKAF CCN1Cc2c(C)nc3ccc(C)cc3c2N(c2cccc(Cl)c2)C1 169316284 ONENGGJWSJYWJM-UHFFFAOYSA-N 351.881 5.436 0 1 FKAF CCCCC/C=C/C/C=C/C/C=C\C/C=C/CC[C@@H](C)C(=O)NCCF 169692767 HMMNZALKMVCHHZ-XDYPAROQSA-N 363.561 6.464 0 1 FKAF CC1=CC[C@@H]2[C@@H]([C@@H](C)CC/C=C(\C)CO)CC[C@@]2(C)CC2=C(C)CC[C@@H]12 238734082 FCDTYKFKWUCPPD-DGUHPUPRSA-N 356.594 6.840 0 1 FKAF CN(c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 584905041 IDPMXHQQTVPBJQ-VAFBSOEGSA-N 361.529 5.753 0 1 FKAF in-vitro Clc1cccc(C2(c3nc4ccc(Oc5ccccc5)cc4[nH]3)CC2)n1 587084461 NEGWIOAQPRSXOG-UHFFFAOYSA-N 361.832 5.484 0 1 FKAF COc1cccc(-c2c(C)c(-c3nccs3)nc3c2oc2ccccc23)c1 587365915 IIRJTWYYPKYHBH-UHFFFAOYSA-N 372.449 6.089 0 1 FKAF COc1cccc(-c2cc(-c3cscn3)nc3c2oc2ccccc23)c1 587366853 QZNTUQCLJAHAEO-UHFFFAOYSA-N 358.422 5.780 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(Cl)c1O)CC2=O 587461215 RDTBRLHLNIISBP-INIZCTEOSA-N 367.228 5.064 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-c3ccncc3)c1)CC2=O 587486516 CERUIUINDWAIQR-XMMPIXPASA-N 373.452 5.287 0 1 FKAF C[C@]1(CCC2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604151 UPYYHPMQMYZEBM-DENIHFKCSA-N 352.430 5.083 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCC(F)(F)F)N1 587709144 ISBYZPLIZMDQCY-XPTSAGLGSA-N 368.212 5.070 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(F)c(F)c3[nH]2)c1 587780695 YKBFATGDQDOTON-UHFFFAOYSA-N 350.368 5.574 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c2)cc1O 587786080 HFOYQGAIHOBMOC-UHFFFAOYSA-N 372.468 5.909 0 1 FKAF Cc1ccc(-c2csc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1C 587920080 DCBJLGSDJIHNJG-INIZCTEOSA-N 358.507 5.151 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2cccc(OCc3ccccc3)c2[nH]1 587954855 GUPSRFDQYVTDHU-UHFFFAOYSA-N 356.469 5.776 0 1 FKAF CCCCC/C=C\C/C=C\[C@H](C)/C=C/C/C=C\CCCC(=O)NCCO 1857762762 RPETZHYPYCZCDS-LASVGMJJSA-N 361.570 5.487 0 1 FKAF CCCCCc1cc(OC(C)=O)cc2c1C(C)(C)C1=CC[C@@H](C)C[C@@H]1O2 2356283757 AOEQFMLAFUZCHK-QRWLVFNGSA-N 356.506 5.740 0 1 FKAF CC1(C)OC[C@H]([C@]2(C)CC[C@]3(C)[C@H](CC=C4[C@@H]3CCC[C@@]4(C)CO)C2)O1 2356745241 NHRGVCNVNSXKEO-APBSUXCPSA-N 362.554 5.079 0 1 FKAF Cc1ccc(Cc2c(-c3ccc(F)cc3)nc3c4ccccc4ccn23)cc1 61923578 GWCFTCADRHLHFL-UHFFFAOYSA-N 366.439 6.193 0 3 FKAF COc1ccc(CN2CC[C@@](C)(Oc3cccc(F)c3)C2)c2ccccc12 61926611 UMNDBDNXPSFPNZ-HSZRJFAPSA-N 365.448 5.031 0 3 FKAF Cc1cc(Br)cn2c(Cc3ccccc3)c(-c3ccco3)nc12 95570731 JXPJKBHFEUSTFU-UHFFFAOYSA-N 367.246 5.256 0 3 FKAF COc1ccc(/C=C/[C@@H](Cc2cccc(C(C)=O)c2)c2ccc(C)cc2)cc1 203471940 XPAIVNVLUJDROE-SXAZAVRTSA-N 370.492 6.246 0 3 FKAF Cc1ccc(C)n1[C@@H]1C(=O)N(Cc2ccc(C(C)C)cc2)c2ccccc21 206028166 QKUHFEBVKNHFIJ-QHCPKHFHSA-N 358.485 5.365 0 3 FKAF CC1=C[C@@H](c2ccc3[nH]ccc3c2)[C@@](C)(/C=C/c2ccc3[nH]ccc3c2)CC1 13384234 AGXPNMMYDKKSMT-IOBKYCJTSA-N 366.508 7.193 0 1 FKAF CCCc1nnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1CCC 28825616 VSMLXCOYNZCZCB-UHFFFAOYSA-N 366.214 5.498 0 1 FKAF Cc1c2c(c(C[C@H](C)CC(C)(C)C)c3c1Oc1ccccc1O3)C(=O)OC2 35090903 AIBMXNJYKFKMIA-ZDUSSCGKSA-N 366.457 6.178 0 1 FKAF Clc1cc(Cl)c(N2COc3ccc4ccccc4c3C2)c(Cl)c1 49109951 FATIXJMTSOVWHW-UHFFFAOYSA-N 364.659 6.157 0 1 FKAF CN(C)c1cccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)c1 72109876 MBZHPWOXFNSVKA-QHCPKHFHSA-N 352.522 5.082 0 1 FKAF COc1ccc([C@@H](CC(=O)c2ccccc2)Sc2ccc(C)cc2)cc1 72112475 TWQNILOECFKEAM-HSZRJFAPSA-N 362.494 6.110 0 1 FKAF CCCC(=O)Nc1cccc(NC(=O)c2cccc(-c3ccccc3)c2)c1 84670622 OKHYBENMQCYMIA-UHFFFAOYSA-N 358.441 5.345 0 1 FKAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccs2)C2=C(O)CCCC2=N1 103869123 TWSISYFKKXTRLV-LJQANCHMSA-N 357.475 5.042 0 1 FKAF CCCCN(CCCC)C[C@@H](O)c1ccnc2cc(C(F)(F)F)ccc12 169334889 JJZNAEOTHHNZCR-LJQANCHMSA-N 368.443 5.189 0 1 FKAF Cc1cc(CO)cc(Nc2cc3ccc(-c4cc(F)ccc4C)cc3cn2)n1 169700014 SFAMJFCDXZDVKN-UHFFFAOYSA-N 373.431 5.289 0 1 FKAF CCC/C=C\C[C@H](O)CCCCCCCCCCCCCCCCCO 205234568 JYZDOSWMZPZDMV-VQCFGJSTSA-N 368.646 7.328 0 1 FKAF COc1ccccc1-c1nc2ccc(Nc3ccnc4ccccc34)cc2[nH]1 299827661 GVGDETXDTJSCMV-UHFFFAOYSA-N 366.424 5.530 0 1 FKAF Clc1ccc(C2(c3nc4cc(Cl)c(Cl)cc4[nH]3)CCC2)cc1 587077042 PFFSFZAJTBVNEV-UHFFFAOYSA-N 351.664 5.993 0 1 FKAF Cc1ccc2c(ccc3[nH]c(-c4ccncc4-c4ccc(Cl)cc4)nc32)n1 587077391 WQISTUUDRARUFG-UHFFFAOYSA-N 370.843 5.802 0 1 FKAF Fc1cnc(Cl)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c12 587083852 OVMGSVWYDKNIBK-UHFFFAOYSA-N 359.191 5.133 0 1 FKAF COc1ccccc1[C@@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587107423 SJYHUDWAZCUPFM-SFHVURJKSA-N 363.416 5.143 0 1 FKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4ccncc4[nH]3)cc2)cc1 587111658 GTNNJYIRNXIXJA-UHFFFAOYSA-N 355.319 5.436 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cc5ccccc5cc4[nH]3)c2)c1 587160465 STGSVFZZJVSQNR-UHFFFAOYSA-N 368.411 6.198 0 1 FKAF Cc1cc(F)c2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc2c1 587163859 MDBAPTSXUCPTTQ-PTNGSMBKSA-N 352.409 5.800 0 1 FKAF CC(C)C[C@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208045 QSBMHRALRIKOKC-AWEZNQCLSA-N 355.437 5.091 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2C2CC2)[C@H]1c1ccc(F)cc1 587355111 SPRLVZVZFRHAQC-RRPUWOKSSA-N 366.432 5.229 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)C[C@@H]3C)c1 587367818 XFFZCTJXKWMVAW-CABCVRRESA-N 357.453 6.342 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cc(Cl)cc1Cl)[C@@H](C2)C3=O 587423860 WPTGSEKRTLSBAY-DYZYQPBXSA-N 369.631 5.144 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)cc1C)CC2=O 587463836 CTHCQPNSYUKMPM-GOSISDBHSA-N 364.363 5.378 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(F)cc1Cl)CC2=O 587468332 UEQODAADNZGDTC-FQEVSTJZSA-N 362.828 5.104 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CC1CC1)c1ccccc1 587600250 AKFTZSSKUAONSI-XUZZJYLKSA-N 372.420 5.049 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(Cc3c(C)[nH]c4c(C)cccc4c3=O)c2c1 587643278 CQTYFZKCIYCSEW-AWEZNQCLSA-N 372.512 6.039 0 1 FKAF CC(C)CCOc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873228 DMUHXXAOQHYTSC-UHFFFAOYSA-N 366.392 4.908 0 1 FKAF COc1cccc(C2(c3nc4cc(Cl)c(Cl)cc4[nH]3)CCCC2)c1 587931872 QHSTWBRBRIABGY-UHFFFAOYSA-N 361.272 5.738 0 1 FKAF CSc1ccc(-c2ccc(C)n2-c2n[nH]c(-c3ccccc3F)n2)cc1 587946190 RIOALNFMSWYMME-UHFFFAOYSA-N 364.449 5.099 0 1 FKAF CC[C@@]1(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587960581 MLZQQUHYJPZNFR-IBGZPJMESA-N 374.271 5.033 0 1 FKAF O=C1/C(=C/c2ccccc2Cl)Oc2ccccc2N1Cc1ccccc1 1857615429 FOFXICHUBRRVMB-STZFKDTASA-N 361.828 5.307 0 1 FKAF Nc1sc2c(-c3ccncc3)cccc2c1Nc1ccc(F)c(Cl)c1 1857765743 GGUUGGMKIPZJOX-UHFFFAOYSA-N 369.852 6.082 0 1 FKAF CC(=O)OCC=C(C)CCC=C(CCC=C(C)CCC=C(C)C)C(=O)O 2356461816 VJGVQGIETYWOJI-UHFFFAOYSA-N 362.510 5.760 0 1 FKAF COC(=O)C[C@H](C)CCCC(C)=CCCc1coc(Cc2ccoc2)c1 2356557023 WXLAGSLEOPLNHU-GOSISDBHSA-N 358.478 5.712 0 1 FKAF COc1ccc(CN[C@H]2CCC23CCC(c2ccccc2)CC3)cc1OC 205707817 WLLQQMMQYRUZMF-GWHCDVRWSA-N 365.517 5.300 0 3 FKAF c1ccc(-c2nc(SC[C@@H]3CCCCO3)[nH]c2-c2ccccc2)cc1 599760 DPAOUJHABZIQSZ-SFHVURJKSA-N 350.487 5.405 0 1 FKAF O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1cccc(Cl)c1 13584908 RHNSCVAPLZDOCX-UHFFFAOYSA-N 373.843 5.445 0 1 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1 13587850 NLOJUKSOUNWUSW-NLGFINLOSA-N 360.630 5.183 0 1 FKAF biogenic C[C@@H](CNCCOc1ccc(/C=C/c2ccccc2)cc1)c1ccccc1 26500210 WNJQYWRTNXZZRC-IWGBCORSSA-N 357.497 5.629 0 1 FKAF in-vitro CCOC(=O)c1ccc(/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1C 27705435 GMDIYEKRTIZHPQ-WFKIQOLASA-N 352.518 6.658 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CCCO)CCCC(=O)O 28219653 OGEFUFFVZUBHDR-RUADBJTESA-N 362.554 6.215 0 1 FKAF CN1[C@H]2CC[C@@H]1[C@@H](CCCc1ccccc1)C[C@H]2CCCc1ccccc1 28526815 KRWUAJWHGJBNDT-FATVKVNYSA-N 361.573 6.131 0 1 FKAF Cc1cccc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 59860607 YWDUHBPOESMJAK-UHFFFAOYSA-N 359.469 5.600 0 1 FKAF Fc1ccc(Nc2nccc3c2ncn3Cc2ccccc2)cc1Cl 74386466 ALZPXYLZMYGYMQ-UHFFFAOYSA-N 352.800 5.016 0 1 FKAF CCCC[C@@H](C)[C@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(C)[C@H](O)C3)CCC[C@@]21C 96142488 MGADROAPTBMHLU-FAEQQZMDSA-N 374.609 6.034 0 1 FKAF CC[C@@H](C)CCC[C@](C)(CCCC(C)C)[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 102191763 FHBMTRKEZPTTIQ-JYSSUKAJSA-N 350.675 8.744 0 1 FKAF CC(=O)OC/C=C(\C)C[C@@H](C)C[C@H](C)CCCCCCCCC(C)C 103176514 YOKQQBWIWJYSNO-IUEIJJPLSA-N 352.603 7.325 0 1 FKAF Cc1nnc(Nc2ccc3c(c2)ncn3C2CCCCC2)c2ccccc12 200654808 VEULMHHOTXZWAA-UHFFFAOYSA-N 357.461 5.537 0 1 FKAF O=C(O)[C@H]1CC[C@H](c2cc3cccnc3c(-c3cccc(Cl)c3)n2)CC1 474603504 CGNHCGYUESNHJH-HDJSIYSDSA-N 366.848 5.309 0 1 FKAF O=C(O)c1ccccc1/C=C\c1nc2ccc(Oc3ccccc3)cc2[nH]1 586878263 BURWYPOHEKLKIC-RAXLEYEMSA-N 356.381 5.224 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586884227 OVSMSDIWULJXAH-PRTSGDIISA-N 354.803 5.703 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4cc(F)cc(F)c4[nH]3)c2o1 587004364 ROXPAIXHCAIEJA-UHFFFAOYSA-N 363.161 5.325 0 1 FKAF Oc1cccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587060595 POXXKSVNJDOIAP-UHFFFAOYSA-N 371.827 5.804 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587069879 LPLBJRQZGPIFEE-VIFPVBQESA-N 367.758 5.007 0 1 FKAF Cc1nc2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2o1 587106781 MYTRNSLBYPZPJX-UHFFFAOYSA-N 362.388 5.563 0 1 FKAF Fc1cc(F)c(-c2nc3cc(Cl)cc(F)c3[nH]2)cc1Br 587137961 UQMNOARCXFOYGB-UHFFFAOYSA-N 361.548 5.063 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)c1 587236202 UNKHAACWFYMWBG-UHFFFAOYSA-N 369.255 5.640 0 1 FKAF COc1cccc(-c2cc(CC(=O)C(F)F)nc3c2oc2ccccc23)c1 587360925 UOWOAVZYNPFMFJ-UHFFFAOYSA-N 367.351 5.033 0 1 FKAF Cc1cccc(COc2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401743 XPQDEPAWRWWHTM-QHCPKHFHSA-N 373.452 5.171 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)oc3ccccc13)CC2=O 587460365 IAEWRPMOALOLSL-KRWDZBQOSA-N 356.805 5.451 0 1 FKAF COc1cc(C)c(Cl)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497652 JQZWFLRCESXAHU-LJQANCHMSA-N 370.876 5.551 0 1 FKAF CC(C)=CCC/C(C)=C/CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526524 VNDVSQGBFXNWMT-LDEFBTGCSA-N 366.545 6.762 0 1 FKAF O=Cc1cc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2s1 587537607 ITAFLBDLKLOFNP-KRWDZBQOSA-N 368.479 5.361 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)c2ccccc2)N1 587820066 ONMZMFCHJYKDFA-KZULUSFZSA-N 362.286 5.141 0 1 FKAF Clc1cc(Cl)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 587955681 KPEBXFMPIQABBX-QGZVFWFLSA-N 367.279 6.244 0 1 FKAF COc1ccnc(Nc2nc(-c3ccc(-c4ccccn4)s3)cs2)c1 621429289 YOLPZPYEZSBDLH-UHFFFAOYSA-N 366.471 5.081 0 1 FKAF Clc1cc(Cl)c2c(c1)[C@H](c1ccc(-c3ccccc3)nc1)NCC2 963108510 OHMZHHVLWIFIII-FQEVSTJZSA-N 355.268 5.291 0 1 FKAF CC[C@H](C)C(=O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCc1ccccc1 1772570405 UBMUOZHWNMVYDD-AWEZNQCLSA-N 363.457 5.189 0 1 FKAF CC(=O)O[C@@H]1OC(=O)C2=CCC=C(C)CC[C@H]([C@@H](C)CCC=C(C)C)[C@H]21 2356566876 YFMNECJVGMKBNA-HKBKIPCKSA-N 360.494 5.104 0 1 FKAF c1ccc(-c2nc(-c3ccccc3)c(Nc3ccc4ccccc4c3)o2)cc1 8690109 ZVJJIEDAUWXNNO-UHFFFAOYSA-N 362.432 6.905 0 1 FKAF O=C(c1ccc(-n2cccc2)cc1Cl)N1CCCCc2ccccc21 13835107 IOLFIXUHODLPAE-UHFFFAOYSA-N 350.849 5.114 0 1 FKAF C[C@H]1C=C(CCCCCCCCCCCCCc2ccccc2)C(=O)O1 14592905 NLDIZAGVYXETLE-NRFANRHFSA-N 356.550 6.782 0 1 FKAF biogenic CC1(C)CCC(C)(C)c2cc(C3=Cc4ccccc4C4=NCCN34)ccc21 26485308 FWCAFHGRKGZSJA-UHFFFAOYSA-N 356.513 5.610 0 1 FKAF COC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 39242737 SVGMWHLQKLVYNV-FQEVSTJZSA-N 368.816 5.425 0 1 FKAF CC(C)CNc1cc(/C=C/c2ccccc2)nc(NCc2ccccc2)n1 40429346 VGYFDFRFGHHCDA-BUHFOSPRSA-N 358.489 5.327 0 1 FKAF CCCCCOc1ccc(-c2nc(CNC3CCCCCC3)co2)cc1 72181445 DYPHKINYILTYCT-UHFFFAOYSA-N 356.510 5.723 0 1 FKAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2c2ncc(-c4ccccc4)o2)N3C)cc1 100773613 GUXROWKWRXBXAG-FQOCKNPQSA-N 358.485 5.384 0 1 FKAF Fc1ccc([C@@H]2C[C@@H]3CC[C@H](S3)[C@H]2c2cc(-c3ccccc3)no2)cc1 101388810 LSHLQBBAJNMIOH-YHDSQAASSA-N 365.473 6.016 0 1 FKAF Clc1ccc([C@H](NC2CCCCC2)c2ccc(-c3cn[nH]c3)cc2)cc1 103265786 ZDIXEQRWXYBXTA-JOCHJYFZSA-N 365.908 5.742 0 1 FKAF Nc1ccc(F)c(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1 143104819 GCIPLOMLMJVRLX-UHFFFAOYSA-N 369.403 5.243 0 1 FKAF O=C(O)CC1CCC2(CC1)CCN(c1cc(C(F)(F)F)ccc1F)CC2 209055296 IYMUTHHMEOHTBM-UHFFFAOYSA-N 373.390 5.096 0 1 FKAF CC(C)Cc1ccc(C2=C/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1 210798710 ZKLAGEHVLPQVLD-LICLKQGHSA-N 373.279 6.173 0 1 FKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(F)c1F 586997387 XKXSSPYSVUPCFG-UHFFFAOYSA-N 371.386 6.008 0 1 FKAF Clc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1Cl 587050503 OOAFPYGYXPLAMF-UHFFFAOYSA-N 362.647 5.981 0 1 FKAF Nc1c(F)c(F)cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1F 587136071 BGMKMNIXKHISNT-UHFFFAOYSA-N 371.387 5.381 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(Cl)cc3[nH]2)c1 587159014 VFMKSELCLRDYMD-UHFFFAOYSA-N 366.823 5.622 0 1 FKAF O=C(c1ccc(COCC(F)(F)F)cc1)c1coc2ccc(Cl)cc12 587279217 YPGWXZIZBCUEAZ-UHFFFAOYSA-N 368.738 5.396 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1SC(C)C)[C@@H](C2)C3=O 587448933 NIRSEABQZAFUAO-RBZFPXEDSA-N 374.889 5.338 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3ccnc(Cl)c3c1)CC2=O 587459709 FROAVHUKGNLYDQ-LJQANCHMSA-N 367.832 5.253 0 1 FKAF CCCCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587482273 NHKVUYUTKCUHEZ-OAQYLSRUSA-N 354.446 5.230 0 1 FKAF C[C@@]1(c2cc(Cl)cnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587500559 QCIJEWNJQDTMKX-IBGZPJMESA-N 362.256 5.148 0 1 FKAF C[C@H](C1CCCCC1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598939 CLSRNHXSEBBMHQ-ZFUCPZCZSA-N 366.457 5.329 0 1 FKAF Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587600914 DAMOGAWRHAGSJW-OFNKIYASSA-N 360.409 5.020 0 1 FKAF CC[C@@]1(c2ccc(C)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614082 QRPCWKYSVNPREX-RXVVDRJESA-N 366.438 5.029 0 1 FKAF Cc1c(Br)cc2nc(COC/C=C/c3ccccc3)[nH]c2c1C 587781522 WEGWJXWSAJPXQV-RMKNXTFCSA-N 371.278 5.172 0 1 FKAF CCC[C@@]1(C2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587821827 YFGISXMZQQZJKM-DJJJIMSYSA-N 368.334 5.698 0 1 FKAF CC[C@]1(c2ccsc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587844396 NQAMUCVYKWVKQQ-DYZYQPBXSA-N 368.315 5.146 0 1 FKAF Cc1c(-c2ccccc2)c2ccccc2n2cnc(C(=O)OC(C)(C)C)c12 653835884 UYEASBDUDDPGFB-UHFFFAOYSA-N 358.441 5.418 0 1 FKAF CCCCCC1=CC[C@@]2(C)[C@@]34CCC(C)=C3C[C@]2(CC[C@@H]4C)[C@@H]1N1CC1 2356355731 VZAPAZLMTOYKEU-BCWJEPCDSA-N 353.594 6.504 0 1 FKAF Fc1ccc(Nc2cc3[nH]c(-c4cccc(C(F)(F)F)c4)cc3cn2)cc1 205215487 FRXKJVBPMVPNAK-UHFFFAOYSA-N 371.337 6.131 0 3 FKAF COc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2CC[C@@H](F)C3)cc1 27706024 OUWFYTHABPBKTA-OAHLLOKOSA-N 356.828 5.028 0 1 FKAF CN(C)C(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 28572614 WDQLWDUMHLAEHE-UHFFFAOYSA-N 374.484 5.112 0 1 FKAF Cc1cccc(NC(=O)Nc2cccc(-c3csc4ccnc(N)c34)c2)c1 28703822 ZHDDXXTZBWXLRG-UHFFFAOYSA-N 374.469 5.498 0 1 FKAF CC[C@H](C)NCCCCCCNc1cc(OC)cc2c(C)cc(C)nc12 29569540 GXOCUWYFDGGSTN-KRWDZBQOSA-N 357.542 5.221 0 1 FKAF CC[C@@H](COc1cccc(Cl)c1)OC(=O)N(CC)Cc1ccccc1 36417083 DAAPAOPGQXIBAG-SFHVURJKSA-N 361.869 5.156 0 1 FKAF Fc1ccc2occ(CCN3CC=C(c4c[nH]c5ccccc45)CC3)c2c1 38318279 WHPJHAJZAJIYQY-UHFFFAOYSA-N 360.432 5.385 0 1 FKAF Cc1ccc(CCNCc2coc(-c3ccc(Cl)cc3Cl)n2)cc1 72183194 UOJNACGDPIRJCZ-UHFFFAOYSA-N 361.272 5.289 0 1 FKAF Cc1ccc2nc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)[nH]c2c1 73277408 QJWQJJKMMPAPFF-UHFFFAOYSA-N 360.460 6.872 0 1 FKAF Cc1ccc2c(c1)CN(c1ccc3oc(-c4ccccc4)cc(=O)c3c1)CO2 103175697 NDJAWTOTXRSKFF-UHFFFAOYSA-N 369.420 5.125 0 1 FKAF Cc1ccccc1Nc1nc(-c2cc(C(F)(F)F)ccc2F)cs1 103229184 TWUYMQVATWPNKB-UHFFFAOYSA-N 352.356 6.020 0 1 FKAF CCc1cc(O)ccc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 167235280 CSLGOZXFBHTYAA-UHFFFAOYSA-N 354.413 5.041 0 1 FKAF in-vitro CC[C@@H](O)/C(C)=C/[C@@H](C)[C@@H](O)/C(C)=C/C(C)=C/[C@@H](C)/C=C/c1ccccc1 169356784 YLFWWEOWHPOZJW-HDTMNABWSA-N 368.561 5.943 0 1 FKAF O=C(Nc1cccc(F)c1)Nc1ncccc1OCc1ccccc1Cl 206927259 JAMGKZWAANHXGT-UHFFFAOYSA-N 371.799 5.097 0 1 FKAF COc1cccc(N[C@H](C(=O)c2c[nH]c3cc(F)ccc23)c2ccccc2)c1 218317453 WXVXRQZELRUNRL-QFIPXVFZSA-N 374.415 5.352 0 1 FKAF Fc1c(Br)cc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1F 586879063 DJAGWULGFYIOIC-UHFFFAOYSA-N 363.205 5.538 0 1 FKAF O=C1c2ccccc2-c2cc([C@H]3CC4CCC3CC4)nc3ccc(O)c1c23 586992306 VFNVQJZRCGDHAG-KVULBXGLSA-N 355.437 5.446 0 1 FKAF Brc1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587024153 XDAISMULQGDXIL-UHFFFAOYSA-N 356.248 5.116 0 1 FKAF FC(F)(F)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587049076 KVEATLBSKVHYBL-NXEZZACHSA-N 371.189 6.160 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H](c1ccccn1)CC4)-c1ccccc1C2=O 587096041 CAHKHSZYZRKAGJ-KRWDZBQOSA-N 362.432 5.228 0 1 FKAF C[C@@H](c1nc2cccc(Br)c2[nH]1)c1ccccc1C(F)(F)F 587098570 SYUAPZUOSQKGAL-SECBINFHSA-N 369.184 5.496 0 1 FKAF CCCC[C@H](C(=O)OCC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108263 YRXHFLPADMHQJO-KRWDZBQOSA-N 373.452 5.283 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cccc(-c5ccccc5F)c4)[nH]c32)n1 587152876 FMSQPSKILRLLPM-UHFFFAOYSA-N 353.400 5.893 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccccc1C)CC2=O 587470192 JCXMLCLYWAQJBJ-QFIPXVFZSA-N 361.441 5.150 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1C[C@H]1c1ccc(F)cc1)CC2=O 587472952 WZJWHLXPCNUQRX-SPEDKVCISA-N 354.421 5.011 0 1 FKAF COc1cc(Cl)cc(F)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501364 BHRRCTGDTKUKED-SFHVURJKSA-N 360.812 5.073 0 1 FKAF O=C1C[C@@H](c2cc(Cl)c(O)cc2Cl)Oc2c1ccc1c2CCCC1 587502708 DPOOKMHCXDJROL-SFHVURJKSA-N 363.240 5.284 0 1 FKAF CCCOc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523047 MQSXDVKDMYNCJH-HSZRJFAPSA-N 350.458 5.235 0 1 FKAF CC1(C)[C@@H](Oc2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526385 VCUQMKCAJBBIIQ-URXFXBBRSA-N 362.469 5.147 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587783138 XWHKBZYOEJXIDN-UHFFFAOYSA-N 372.468 5.812 0 1 FKAF FC(F)(F)c1cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2cc1Cl 587951479 METPRSNUMNUKPH-UHFFFAOYSA-N 366.770 5.833 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2cccc(Cl)c2[nH]1 587956891 LSBCSKDZIUXQQV-UHFFFAOYSA-N 364.917 6.135 0 1 FKAF O=C1CC2(CCCCC2)C[C@]2(C1)NCCc1cc(-c3ccccc3)ccc12 962672458 YEXHKHMSCKJCGE-VWLOTQADSA-N 359.513 5.398 0 1 FKAF COc1ccc([C@H]2NCCc3c2sc(C)c3C)cc1O[C@H]1C=CCCC1 963023091 LDHQEYGYOMIXLH-LAUBAEHRSA-N 369.530 5.096 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3cccc(O)c3)n2)c1 1772624981 KEWCTYXTDWFHES-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF CC[C@H](C)C(C)=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@H]4[C@H]3CC[C@H]12 2356727166 IUQROLUCBKYILE-YAKFXMLHSA-N 370.621 6.775 0 1 FKAF CC(C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 773756 AYBYHLKHZALLDY-UHFFFAOYSA-N 374.415 5.439 0 1 FKAF C[C@@H]1CCC[C@H](NC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)[C@@H]1C 4908619 MKXFCMDCSPFWIL-HSMVNMDESA-N 356.853 5.189 0 1 FKAF c1ccc(Cn2cc(-c3ccnc4ccccc34)c(-c3ccccn3)n2)cc1 13526627 OUGRNXPVTYJQNC-UHFFFAOYSA-N 362.436 5.209 0 1 FKAF CCN(C)[C@@H]1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)C1 19368501 HLPPSQPFFGNHHE-IEBWSBKVSA-N 372.965 5.114 0 1 FKAF O=C(O)C[C@@H]1CC[C@H](c2ccc(OCc3ccc4ccccc4n3)cc2)C1 26675355 QLCYDOOHNFRQMA-APWZRJJASA-N 361.441 5.172 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CN(C)C)C[C@@H]21 28769923 ZXKGLKKHBVMHIF-GUDVDZBRSA-N 359.554 5.357 0 1 FKAF CCCCn1cc(C(=O)c2cccc3ccccc23)c(=O)c2ccccc21 28864766 HMQKAHOUJWHSQT-UHFFFAOYSA-N 355.437 5.186 0 1 FKAF Cc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 33641671 JYHRPGPKUARAOF-LJQANCHMSA-N 361.272 5.456 0 1 FKAF CCN(CC)Cc1ccc(O)c(Nc2ccnc3cc(Cl)ccc23)c1 40848065 ISVIZWKCFFLDQJ-UHFFFAOYSA-N 355.869 5.179 0 1 FKAF CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccccc1Cl 53296049 UEQVVKSOVWSICC-QGZVFWFLSA-N 367.663 5.344 0 1 FKAF CC[C@H](C)c1ccc(-n2c(=S)oc3ccc(Cl)cc3c2=S)cc1 64539849 SXGPLVGLDRBALL-NSHDSACASA-N 361.919 6.849 0 1 FKAF Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(C)(C)C2=O 66251046 JQKOMAQFUWNONV-UHFFFAOYSA-N 366.892 6.210 0 1 FKAF Brc1cccc(-c2nc3ccccn3c2NC2CCCCC2)c1 72176531 ZVDMSQWFMAZJBM-UHFFFAOYSA-N 370.294 5.508 0 1 FKAF C[C@H]1C[C@@H](NCc2coc(-c3ccc(C(C)(C)C)cc3)n2)CC(C)(C)C1 72183419 RZPBXQGJNXXEOS-QFBILLFUSA-N 354.538 5.944 0 1 FKAF Cc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(Cl)cc2)cc1 84712245 VZBUOGIHPYSDDJ-UHFFFAOYSA-N 373.887 6.113 0 1 FKAF FCCn1nnc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 103210390 WGCGFOAJSYGVAP-UHFFFAOYSA-N 370.642 5.542 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)OC 169345788 ROFVEVFCNPGNKS-CRUNFYBJSA-N 356.550 7.027 0 1 FKAF CCc1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1CC 586878259 BCCPHHNKPHCUPI-UHFFFAOYSA-N 356.469 5.934 0 1 FKAF CCc1ccc(-c2nc3ccc4nc(C)ccc4c3[nH]2)cc1Br 586977958 SVMCEIOEBCGJHJ-UHFFFAOYSA-N 366.262 5.411 0 1 FKAF Clc1cccc(COc2ccc(/C=C\c3nc4ccccc4[nH]3)cc2)c1 587068914 BKZFSRSQMTZNRO-RAXLEYEMSA-N 360.844 5.966 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cccc(Cl)c2[nH]1 587074271 UYKJGSWPDTWMKP-UHFFFAOYSA-N 353.252 6.512 0 1 FKAF CSc1ccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2c1 587076524 VTEIBHNXGGYJSF-UHFFFAOYSA-N 354.866 5.099 0 1 FKAF Cc1c(F)ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 587122400 LEXOSRRIIVMSGQ-UHFFFAOYSA-N 370.371 5.342 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(C)cc(Br)c2[nH]1 587156251 RMSUIYFXUCSWMB-CQSZACIVSA-N 363.230 5.303 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587162986 YSRLIFJVZVDWCH-RTBURBONSA-N 358.416 5.552 0 1 FKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587194740 ANFLBRZPQJDEHS-MRXNPFEDSA-N 357.457 5.573 0 1 FKAF COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1S 587209112 JUMFRVIRZPTGOQ-UHFFFAOYSA-N 369.445 5.411 0 1 FKAF COc1cccc(-c2cc(C[C@H]3CCCCN3)nc3c2oc2ccccc23)c1 587362469 HXQZUOMWGSDTSZ-QGZVFWFLSA-N 372.468 5.341 0 1 FKAF Cc1onc(-c2ccccc2)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526692 QSQGDJDYJGYGAF-DEOSSOPVSA-N 373.452 5.409 0 1 FKAF CC(C)C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599320 FFVMXEODLZVXAD-GCJKJVERSA-N 354.446 5.185 0 1 FKAF Cc1cc(Cl)cc2c(NC(=O)OC(C)(C)C)c(-c3ccccc3)[nH]c12 587627425 VRTLCGIQLOLCAO-UHFFFAOYSA-N 356.853 6.144 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3OCC(=O)N(C)C)c(C)c2c1 587643497 UUOXMQWLVKXGPV-OAHLLOKOSA-N 364.489 5.124 0 1 FKAF FC(F)(F)c1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Cl 587781598 XKNKZSXBNFLRLQ-DAXSKMNVSA-N 366.770 5.465 0 1 FKAF Cc1ccc(/C=C/[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587816425 YAQPOTUUWXDHOY-QZNQWCCFSA-N 374.297 5.359 0 1 FKAF Cc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587818500 IAXOSXAJEBAUKS-YJYMSZOUSA-N 362.286 5.137 0 1 FKAF Cc1ccc(-c2csc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1C 587921484 YLULSTKUBBGYPI-QGZVFWFLSA-N 372.534 5.541 0 1 FKAF C(=C\c1ccccc1Oc1ccccc1)\c1nc2cc3cn[nH]c3cc2[nH]1 587949466 HNZRPXNNSMCBOD-KHPPLWFESA-N 352.397 5.402 0 1 FKAF COc1ccnc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 621429245 OUNPNKJGOARIFK-UHFFFAOYSA-N 359.454 5.624 0 1 FKAF Cc1nc(N[C@H]2CCCc3ccccc32)cc(-c2ccc3ncsc3c2)n1 653762367 KWNBGQWPBRWXIF-SFHVURJKSA-N 372.497 5.551 0 1 FKAF Cc1cccc(CC[C@]2(c3ccccc3)NCCc3cc(C)c(F)cc32)c1 962142125 FTYCWPWHAZXVML-RUZDIDTESA-N 359.488 5.465 0 1 FKAF O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1F 1857617496 OQNGHEVWUBCJMX-HSZRJFAPSA-N 370.427 5.095 0 1 FKAF Nc1oc2c(-c3ccncc3)nc(F)cc2c1Nc1ccc(F)c(Cl)c1 1857648676 KRHLVCLYPZEVBB-UHFFFAOYSA-N 372.762 5.147 0 1 FKAF Nc1oc2c(-c3ccncc3)nccc2c1Nc1cccc(C(F)(F)F)c1 1857765404 JJVHFHBUBVGJQW-UHFFFAOYSA-N 370.334 5.234 0 1 FKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 2356429748 HIGFJBWLJMUGFT-NGPWQFFGSA-N 368.605 7.327 0 1 FKAF Cc1cc(C)c(O)c([C@H](CCCCCC(=O)O)c2ccc(F)cc2)c1C 13456330 WBVXKKZNMXLFPT-LJQANCHMSA-N 358.453 5.624 0 1 FKAF C[C@@H]1CN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)C[C@@H](C)N1C 22937957 JQBCJANIMSRFBC-PNZTVRLKSA-N 372.915 5.080 0 1 FKAF CN[C@H](COCc1cc(C)cc(C)c1)C(c1ccccc1)c1ccccc1 29551783 BVMNQSAYSSXTLM-XMMPIXPASA-N 359.513 5.240 0 1 FKAF Cc1cc2cc(O)ccc2c(Oc2ccc(O)cc2)c1-c1cccc(O)c1 33360190 OKUBOIRIRQHVSM-UHFFFAOYSA-N 358.393 5.724 0 1 FKAF in-vitro C[C@H](CCC(=O)O)[C@H]1CC=C2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 33820766 BRXGJELLNLEQTJ-RXXPFFJOSA-N 358.566 6.456 0 1 FKAF CCCCCC[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C=C2c1ccncc1 45189301 OEPFQUBYNBPKEK-QGZVFWFLSA-N 365.517 6.464 0 1 FKAF O=C(c1cn(CC2CCOCC2)c2ccccc12)C12C[C@@H]3CC1C[C@@H](C3)C2 45283966 WBROYFRREDXBEY-SZKUSEGLSA-N 363.501 5.077 0 1 FKAF C[C@H]1[C@H](NCc2coc(-c3cccc4ccccc34)n2)C[C@@H]2C[C@H]1C2(C)C 72183124 VYTSVVOMRCIQKP-PMBVPFKGSA-N 360.501 5.655 0 1 FKAF Fc1ccc(CNc2cc(-c3cccc(-c4ccccc4)c3)ncn2)cc1F 82160926 YQYLZQGRFUCOSK-UHFFFAOYSA-N 373.406 5.701 0 1 FKAF Cc1nnc(F)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)cc1 84587834 NPTZHEVTGACJOM-UHFFFAOYSA-N 352.718 5.329 0 1 FKAF Cc1cc(C(=O)O)ccc1N(C)c1ccc2c(c1)C(C)(C)CCC2(C)C 95585531 IGVADYUXIXDPDU-UHFFFAOYSA-N 351.490 5.810 0 1 FKAF Cc1ccc2c(Sc3ccc(Br)cc3)c(C(=O)O)[nH]c2c1 95585754 GKKAFIYJKGKMOD-UHFFFAOYSA-N 362.248 5.088 0 1 FKAF COc1ccc(-c2ccnc(NC3CCCCC3)n2)cc1OC1CCCC1 96937571 NKMJZOHJTGRGHD-UHFFFAOYSA-N 367.493 5.218 0 1 FKAF CN1[C@@H]2CC[C@@H]1[C@H](CCCc1ccccc1)C[C@@H]2CCCc1ccccc1 101051055 KRWUAJWHGJBNDT-XDZVQPMWSA-N 361.573 6.131 0 1 FKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2c(Cl)cc(-c3ccncc3)cc21 144740949 DWBVPXYATWUPNB-SFHVURJKSA-N 361.750 5.181 0 1 FKAF CCCCC1CCC(c2nc3ccc(Br)c(F)c3[nH]2)CC1 586889432 LINJKICGFSVPGP-UHFFFAOYSA-N 353.279 5.929 0 1 FKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 586894026 XNCXMSQYXGVXSX-HXOBKFHXSA-N 372.468 5.287 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cccc(-c5ccc(O)cc5)c4)[nH]c32)n1 586898619 QKRUQACRRAFGGR-UHFFFAOYSA-N 351.409 5.459 0 1 FKAF Cc1ccc(-c2nc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c(C)s2)cc1 587013491 YDOWKRCQBXDBGJ-UHFFFAOYSA-N 362.502 5.663 0 1 FKAF Fc1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 587060648 QVZFYWQTFVRRPU-UHFFFAOYSA-N 373.818 6.238 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587062496 UFSYUWHYNZOPTJ-CQSZACIVSA-N 370.758 5.645 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2cnc3ccccc3c2[nH]1 587066035 GIPADBZSCZZBQU-UHFFFAOYSA-N 351.837 5.085 0 1 FKAF Cc1ccccc1[C@@H]1Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587100413 JGZQMKPVTXKPQB-FQEVSTJZSA-N 361.444 5.751 0 1 FKAF FC(F)COc1cccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)n1 587125689 UFFBCJITUXNGOG-UHFFFAOYSA-N 367.355 5.061 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C(F)(F)F)ccc1Cl)O2 587382763 RZFMULHVPQWYGG-QGZVFWFLSA-N 369.770 5.130 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C3CCCC3)[nH]c3ccccc13)O2 587396004 IDDAVTPPLOMULK-HXUWFJFHSA-N 360.457 5.423 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1Cl)(C(C)C)CC2=O 587459704 CVHUFTMGFDFTDK-OAQYLSRUSA-N 358.865 5.515 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)ccc1F)CC2=O 587464437 QIYPHRVMCNVCNC-KRWDZBQOSA-N 368.326 5.209 0 1 FKAF C[C@@H]1CSc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587538113 NOYZEHBBVOHRBP-JLCFBVMHSA-N 350.483 5.168 0 1 FKAF CC(C)C[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604529 UTZKANKRCOKUHK-ITSWEJNFSA-N 366.457 5.329 0 1 FKAF Fc1ccccc1Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccccc1F 587629353 LKWYWIXVLRNPHX-UHFFFAOYSA-N 371.789 6.496 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(-c3nc4ccccc4[nH]3)c2c1 587643135 ZELMFIVNJXYILQ-LLVKDONJSA-N 357.379 6.244 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2C2CC2)N1 587815937 RMGKHXRQFQLWHH-ODXCJYRJSA-N 374.297 5.263 0 1 FKAF CCCC1CCC([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587818523 FDNDFXYXHKKVMY-OILHFSCHSA-N 368.334 5.770 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2coc3ccccc23)N1 587828413 NHLFFJTUCWOSMH-NSPYISDASA-N 374.253 5.132 0 1 FKAF c1ccc(Oc2ccc3nc(COC45CC6CC(CC(C6)C4)C5)[nH]c3c2)cc1 587949802 COHSSCZYYTVHPW-UHFFFAOYSA-N 374.484 5.841 0 1 FKAF Cn1cccc1CN1CCc2sccc2[C@H]1CCc1ccc(Cl)cc1 962376836 RAWMREAYBHCCKG-HXUWFJFHSA-N 370.949 5.472 0 1 FKAF Cc1ccc(C[n+]2ccc(Cn3c4ccccc4c4ccccc43)cc2)cc1 1857537777 GAPZJIDCDUJHOF-UHFFFAOYSA-N 363.484 5.487 0 1 FKAF CC(C)=C[C@@H]1C[C@](C)(C=Cc2cccc3cc[nH]c23)c2cc3[nH]ccc3cc21 2356448819 PUOYSRIYVHOQQB-RLWLMLJZSA-N 366.508 7.074 0 1 FKAF CC(C)=CCC[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C(C)[C@@H]2CCC(C)=CC(=O)O 2356486567 WZOUGXJIBZOMTP-ZCAIMPEWSA-N 372.593 7.323 0 1 FKAF 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 2356521736 KDLNOQQQEBKBQM-HDJWDODQSA-N 372.549 5.476 0 1 FKAF CC(C=CC(=O)NCC(=O)O)=C[C@H](C)C[C@@H](C)CC(C)=CCCC(C)C 2356556617 IDHWXSORJXHAOU-PMACEKPBSA-N 363.542 5.125 0 1 FKAF CC=C(C)c1cc(O)c(C)c2c1Oc1cc(O)c(Cl)c(C)c1C(=O)O2 2356586697 KZPINWADEGOBQG-UHFFFAOYSA-N 360.793 5.116 0 1 FKAF CCCCc1c(-c2ccccc2F)ncn1CCc1ccccc1OC 95565527 IFAOREJIGOGWEV-UHFFFAOYSA-N 352.453 5.283 0 3 FKAF COc1ccccc1[C@@H](C(=O)c1ccccc1)c1ccc2ccccc2c1 95566723 VIVQDMQNTJEUOU-DEOSSOPVSA-N 352.433 5.863 0 3 FKAF COc1ccc(Cc2c(-c3ccc(F)cc3)nc3ccc(C)cn23)c(C)c1 199365290 SOWHJLSWFFMQKF-UHFFFAOYSA-N 360.432 5.357 0 3 FKAF CCOc1cc(C)c(Oc2nc(C)cc(OC(CC)CC)c2C)c(C)c1 1543681 PJAWVEOFVIREOA-UHFFFAOYSA-N 357.494 6.074 0 1 FKAF Cc1ccc2c(c1)-c1c3c(nn1-c1ccccc1)-c1ccccc1S[C@H]3O2 1630131 VHEGRDCPNUTRQE-HSZRJFAPSA-N 368.461 6.011 0 1 FKAF c1ccc(-c2nc(-c3ccccc3)c3[nH]c(C4CCCCC4)nc3n2)cc1 13686551 IGJKVZBNIOTBGI-UHFFFAOYSA-N 354.457 5.735 0 1 FKAF in-vivo CCCCC[C@@H](C)OC(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 13738013 RVCCLXUZFUVJRA-MRXNPFEDSA-N 362.514 6.160 0 1 FKAF CC(C)Sc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 13796285 YEQSTNZQZFQNKF-UHFFFAOYSA-N 364.580 6.006 0 1 FKAF COC(=O)c1c(Nc2ccccc2)sc(C(=O)c2ccc(C)cc2)c1C 28713177 YCVLURPCBDYGPW-UHFFFAOYSA-N 365.454 5.126 0 1 FKAF C[C@H](Nc1ncc(-c2cccc(-c3ccccc3)c2)n1C)c1ccccc1 29335431 PCSVCVQDQPXONF-SFHVURJKSA-N 353.469 5.927 0 1 FKAF CCC(=O)C(CC/C(=C/C=C/c1ccc2c(c1)OCO2)CC)C(=O)CC 34075040 XENQVJFPLSBYBC-IAGJPELUSA-N 356.462 5.120 0 1 FKAF Fc1ccc(F)c([C@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)c1F 43196195 ZGTRBSABWYYFNJ-IBGZPJMESA-N 351.331 5.162 0 1 FKAF CCCCCC[C@@H](CC)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2 45209902 IHKLPAGNBNXUTL-MRXNPFEDSA-N 353.506 6.546 0 1 FKAF O[C@@H]1c2ccccc2CC[C@]1(Cc1ccccc1)C1=Cc2ccccc2C1 71341856 OJQJHFSPUMBXJM-FTJBHMTQSA-N 352.477 5.535 0 1 FKAF Cc1nc(-c2cnc(NCc3ccccc3)nc2-c2ccccc2)oc1C 82163256 WPXDWKLZQOVZBX-UHFFFAOYSA-N 356.429 5.028 0 1 FKAF CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1 95558198 OZTPEOANXGTTAL-HXUWFJFHSA-N 364.445 5.319 0 1 FKAF COc1cc2ncnc(Nc3ccc(Nc4ccccc4)cc3)c2cc1OC 95589950 ZZKJIHJVQOKWHA-UHFFFAOYSA-N 372.428 5.134 0 1 FKAF CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1cccs1)CCC3 113122762 SRFWHQMMBFVCKJ-ZDUSSCGKSA-N 371.527 5.790 0 1 FKAF NCCCCNCCCCNC1CCCCCCCCCCCCCC1 169329558 JSFRIHYKPORQEY-UHFFFAOYSA-N 367.666 5.528 0 1 FKAF CC(=O)Nc1ccc([C@H]2CC(C(C)(C)C)=NN2c2ccc(Cl)cc2)cc1 299833012 UWCPJYHILBRXKH-LJQANCHMSA-N 369.896 5.652 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 586883539 KBECSVJSGFDTIF-UHFFFAOYSA-N 364.448 6.271 0 1 FKAF Cc1cc(Cl)cnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986763 UIBJRQLAYNOWFK-UHFFFAOYSA-N 372.811 5.176 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@@H]4c1ccc(F)cc1)-c1ccccc1C2=O 586996796 SHYHSPXPVVTNIG-LJQANCHMSA-N 365.407 5.582 0 1 FKAF Cc1ccc2c(ccc3nc([C@@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c32)n1 587048345 HOLSHFMCRRCMCA-CHWSQXEVSA-N 368.267 5.997 0 1 FKAF Cc1c(Cl)ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587050484 PCHCOQHGQHCDTI-VHSXEESVSA-N 351.664 6.103 0 1 FKAF FC(F)(F)c1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 587051071 RUBVMPFKYYOLCG-SFYZADRCSA-N 372.177 5.555 0 1 FKAF COc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2n1 587052051 WDKRSEUHEOPPJR-UHFFFAOYSA-N 360.200 5.200 0 1 FKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(F)c(Cl)cc2[nH]1 587066033 FIIYRIGLVQIMLC-UHFFFAOYSA-N 360.219 5.775 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc5[nH]ccc45)nc13)-c1ccccc1C2=O 587096968 MTGJPGRTIALMIH-UHFFFAOYSA-N 360.416 5.903 0 1 FKAF Cc1ccc2c3c(cc(C4C[C@H](C)C[C@@H](C)C4)nc13)-c1ccccc1C2=O 587099726 UFIAKLHCPAJEGX-HUUCEWRRSA-N 355.481 6.294 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587152902 GXOBOVPQYNYNSR-UHFFFAOYSA-N 357.215 6.343 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587161394 NFXDWVRJMJBAKH-VXGBXAGGSA-N 354.734 5.645 0 1 FKAF O=C(c1cc(Cl)c(Cl)c(Cl)c1Cl)c1coc2ccccc12 587280887 GUDRQUOVBDXVFW-UHFFFAOYSA-N 360.023 6.277 0 1 FKAF C[C@@H]1CC(C)(C)C[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351422 JUBPTJCRGDKIPQ-HCVAFPHWSA-N 368.448 5.475 0 1 FKAF CC1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCCCC1 587352017 ICXKAFNCVBAKAU-OFNKIYASSA-N 368.448 5.619 0 1 FKAF COc1cccc(-c2cc(-c3cccs3)nc3c2oc2ccccc23)c1 587367091 YZXWKSBEHHRIBW-UHFFFAOYSA-N 357.434 6.385 0 1 FKAF CC[C@]1(c2cc(F)cc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587381388 HWCRNAYIKGOOCD-GOSISDBHSA-N 367.342 5.006 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(C)(C)C)ccc1OC)CC2=O 587481054 PETNRRUVYKWYCQ-NRFANRHFSA-N 368.473 5.357 0 1 FKAF O=C1C[C@](c2ccc(F)cc2)(c2cccnc2)Oc2c1ccc1c2CCCC1 587503149 CXOXPCIRHQSTSR-DEOSSOPVSA-N 373.427 5.009 0 1 FKAF Fc1cccc2[nH]c(-c3ccccc3)c(-n3c(Cl)nc4ccccc43)c12 587634041 UHHBLZQMIBTBPJ-UHFFFAOYSA-N 361.807 5.966 0 1 FKAF O=C(c1c(-c2cccc(OC(F)F)c2)[nH]c2cc(F)ccc12)C(F)(F)F 587634327 YZXDEMPMCJFANO-UHFFFAOYSA-N 373.252 5.320 0 1 FKAF Cc1ccccc1[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587813465 DALNHJQNPSJLPB-ZUOKHONESA-N 374.297 5.084 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCCCC2)(C2CC2)N1 587816045 SPSRIXBMAUMUPV-CWTRNNRKSA-N 366.318 5.308 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(C)CCCCC2)N1 587816128 URDGBAAFWNBVQI-KZULUSFZSA-N 354.307 5.308 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(F)cc1F 587855202 MIEFLDJRGZINEX-UHFFFAOYSA-N 369.198 5.523 0 1 FKAF CC(C)c1ccccc1O[C@@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873987 RFGHWKVIPGZSDA-ZDUSSCGKSA-N 366.392 5.026 0 1 FKAF CC(C)=CCC/C(C)=C/c1nc2ccc(I)cc2[nH]1 587969171 VXCDLVBHADJRNV-FMIVXFBMSA-N 366.246 5.317 0 1 FKAF Cc1cccc([C@@H]2[C@@H]3C(=NN2C)c2ccccc2O[C@H]3c2ccccc2)c1 653893431 HITQDIVXKKINQX-QTJGBDASSA-N 354.453 5.136 0 1 FKAF CSc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1 1772585486 OOTCRJPJEOEEDT-UHFFFAOYSA-N 361.392 5.628 0 1 FKAF Cc1ccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)cc1 1857632048 ZOMCMUMSBIBMQH-UHFFFAOYSA-N 366.262 5.151 0 1 FKAF COC(OC)[C@@]1(C)CCC[C@]2(C)[C@@H](CC/C(C)=C/CO)C(C)=CC[C@@H]12 2382225689 XNTZCKXWOGVASS-KKIXBDIFSA-N 350.543 5.103 0 1 FKAF CC(C)(C(=O)O)c1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1 2382235958 NWTYEXPPVFBYDG-UHFFFAOYSA-N 366.848 5.013 0 1 FKAF COc1c(Cl)cc(Cl)cc1C(=O)c1[nH]c(Cl)c(Cl)c1Cl 14684489 OPEUDILCTNZYOP-UHFFFAOYSA-N 373.450 5.521 0 1 FKAF biogenic,in-vitro COc1ccccc1-c1ccc2c(c1)C(CSC(C)=O)=CC(C)(C)N2 14968682 ZIWULKAFQVYSMS-UHFFFAOYSA-N 353.487 5.229 0 1 FKAF O=C(O)Cc1nc(-c2ccc(Cl)c(Cl)c2)oc1-c1ccsc1 27079978 OXBJWUZYDFLKCU-UHFFFAOYSA-N 354.214 5.004 0 1 FKAF CCN(c1ccccc1)c1cc(/C=C/C2=C(C)CCCC2(C)C)nc(N)n1 28712595 DVGDBWAESOBDJR-BUHFOSPRSA-N 362.521 5.757 0 1 FKAF O=C(O)[C@H](Oc1ccc(F)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242689 FRZABUZRQDVLND-LJQANCHMSA-N 372.779 5.476 0 1 FKAF O=C(O)[C@H](Cc1ccc(-c2cccs2)cc1)Oc1ccc(Cl)cc1 40913431 KCXRTOMBQGOLRH-KRWDZBQOSA-N 358.846 5.143 0 1 FKAF CCCCCCOc1ccc(C(=O)[C@@H](CN(C)C)c2ccccc2)cc1 42920293 WTRSQUHXNKRAOH-QFIPXVFZSA-N 353.506 5.174 0 1 FKAF Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(-c2ccccc2Cl)c1C 43199866 MVUKVIIMDNACQW-UHFFFAOYSA-N 367.815 5.173 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCCO 95617631 CXWASNUDKUTFPQ-KUBAVDMBSA-N 372.549 6.000 0 1 FKAF endogenous,in-man Cc1ccc2c(=O)cc(-c3ccc(Oc4ccc(Cl)cc4)cc3)oc2c1 96937332 FRZAPOLFEYFLOL-UHFFFAOYSA-N 362.812 6.214 0 1 FKAF CCC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 103181076 HPQOOJOUVVIFGS-UHFFFAOYSA-N 362.498 5.237 0 1 FKAF O=C(O)c1cccc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 139164250 WKYHVNGVWNMSNN-SDNWHVSQSA-N 370.408 5.011 0 1 FKAF Cc1ccnc(Nc2ccc(Oc3ncccc3-c3ccccc3)cc2)c1 139330306 CGIAIDAOVGEVPI-UHFFFAOYSA-N 353.425 5.988 0 1 FKAF Cc1onc(-c2ccccc2)c1COc1cc(OCc2ccccc2)ccn1 141251285 DGFQIJMEILPIEC-UHFFFAOYSA-N 372.424 5.203 0 1 FKAF Cc1nc(N[C@H](C)c2cccc(F)c2)cc(-c2ccc3occ(C)c3c2)n1 142725512 JRDLJIFOVNZJFY-CQSZACIVSA-N 361.420 5.819 0 1 FKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N(C)C(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 255222552 KGECUYUTWWUGRM-KSBKVOADSA-N 373.581 5.081 0 1 FKAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3ccccc3)=CC[C@@H]12 299823373 FODRTHDOTPBBNN-CFGBTRHTSA-N 360.497 5.950 0 1 FKAF Cc1cc(NC(=O)Nc2cc(C3(C)CC3)nn2-c2ccccc2)ccc1F 299830512 XBRDFDHQDNGPAA-UHFFFAOYSA-N 364.424 5.015 0 1 FKAF Cc1ccc(SCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(C)c1 586964141 WHNYXERELPYIAM-UHFFFAOYSA-N 354.372 5.630 0 1 FKAF CC1(C)[C@@H]2CC[C@@]1(C)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O 586991380 UNOQHLORDYAJAC-SHACYNPGSA-N 355.437 5.327 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@H](C(C)C)C4)-c1ccccc1C2=O 587100359 HNPDPLFDQBTJGL-KXBFYZLASA-N 355.481 5.762 0 1 FKAF Cc1ccc(Cl)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1F 587104293 RZBYLLHRIGRFFC-UHFFFAOYSA-N 373.814 6.214 0 1 FKAF CCCC[C@@H](C(=O)OCC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108264 YRXHFLPADMHQJO-QGZVFWFLSA-N 373.452 5.283 0 1 FKAF CC(C)Oc1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1 587144747 CZFXDVVRJNHTHM-UHFFFAOYSA-N 364.395 5.962 0 1 FKAF CC1(C)[C@H]2CC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]1C2 587352190 LZJFIFNPGCMBNG-YBFPIEQSSA-N 366.432 5.085 0 1 FKAF COc1cccc(-c2cc(-c3ccnc(C)c3)nc3c2oc2ccccc23)c1 587362505 GJHGJSSAPBGTSE-UHFFFAOYSA-N 366.420 6.027 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(Cl)ccc31)CC2=O 587463714 XLGCMARTAACPJI-NRFANRHFSA-N 356.849 5.195 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(SC(C)(C)C)cc1)CC2=O 587495109 ZSMOKMXDHLULNC-FQEVSTJZSA-N 370.514 5.942 0 1 FKAF O=C1C[C@@]2(CCCCCC23CCCCC3)Oc2c1ccc1c2CCCC1 587529903 RWZPGFVYUNTYSU-XMMPIXPASA-N 352.518 6.184 0 1 FKAF O=C1C[C@H](c2ccc(-c3cccs3)s2)Oc2c1ccc1c2CCCC1 587532217 ORVKUSNVUIWGEW-QGZVFWFLSA-N 366.507 6.062 0 1 FKAF Cc1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587699059 RIFZPMXEZLAXNE-BMLIUANNSA-N 368.677 5.174 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC2CCCC2)N1 587813233 NLJMZVMFVAENOA-KZULUSFZSA-N 354.307 5.308 0 1 FKAF CCCCCC(=O)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587858314 DPPXCXJMHGWFBK-UHFFFAOYSA-N 355.265 5.476 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(OCC4CC4)cc3)n2)cc1 587926490 ZUKGLIISHJLCMM-UHFFFAOYSA-N 353.512 5.988 0 1 FKAF CC(C)Oc1cc(-n2c(O)ccc2OC(C)(C)C)c(Cl)cc1Cl 587943151 NVTBCALPIXKUNP-UHFFFAOYSA-N 358.265 5.454 0 1 FKAF CCc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 587955166 GWFVERZBNBFKDD-UHFFFAOYSA-N 364.342 5.099 0 1 FKAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc([C@@H]4CCCCO4)cc3)c(F)c12 1772577228 BSXVXZNQNRLKOC-INIZCTEOSA-N 373.811 5.567 0 1 FKAF CCCCC=CCC=CCC=CCCCCCc1cccc(O)c1C(=O)O 2356421853 XHGATLCYJAUBJV-UHFFFAOYSA-N 370.533 6.832 0 1 FKAF CCC=C(C)C[C@H](C)C(=O)[C@H](C)C1=C(C)[C@H]2O[C@@](CC)(O1)C(C)=C[C@H]2C 2356553978 NXFSSBOUIVVCNL-VMWRJMRKSA-N 360.538 5.966 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCOc1cc(C(=O)O)ccc1O 2356587105 YPSYTZIIVLKBKJ-UHFFFAOYSA-N 358.478 5.888 0 1 FKAF C/C=C(\C)c1cc(O)c(C)c2c1Oc1cc(O)c(Cl)c(C)c1C(=O)O2 1618035 KZPINWADEGOBQG-VMPITWQZSA-N 360.793 5.116 0 1 FKAF C/C(=C\C(=O)N(C(C)C)C(C)C)c1ccc(O[C@H](C)c2ccccc2)cc1 13782683 FYPWRTYKQKCELD-BQUCVHFLSA-N 365.517 5.875 0 1 FKAF FC(F)(F)c1ccc(-c2cc(Oc3cccc4ccncc34)ncn2)cc1 14974082 ZLUDHHHVHKPTRK-UHFFFAOYSA-N 367.330 5.503 0 1 FKAF CC/C=C(\CC)C1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1 14978530 RGQUUOPHRNPGLR-MHCWBMQKSA-N 357.541 7.241 0 1 FKAF CCOc1ccc(-n2c(C)c3c(C)nnc(C4CCCCC4)c3c2C)cc1 28758815 NBNBHFSNUWEJTM-UHFFFAOYSA-N 363.505 5.792 0 1 FKAF Cc1cc(-c2cc(F)cc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C 29043407 DSMDXILQYZQPHU-LBPRGKRZSA-N 356.872 6.634 0 1 FKAF CC/C=C/[C@@H](CC)C/C(=C/[C@@](O)(CC)C[C@](O)(/C=C/C(=O)O)CC)CC 33955044 LSVMTGUPGAJFCN-HLLJYDMJSA-N 366.542 5.018 0 1 FKAF c1ccc2cc(-c3cc(CN4CCCCC4)c4ccccc4n3)ccc2c1 34634775 GJGBFEYHIZEAFP-UHFFFAOYSA-N 352.481 6.041 0 1 FKAF C[C@@](O)(CSc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2[nH]1 34801498 QROGILTVPWKRAM-QGZVFWFLSA-N 352.286 5.475 0 1 FKAF CC[C@@]1(c2ccccc2)c2c(F)ccc(F)c2NC(=O)N1CC(F)(F)F 36487560 ZADAQIMZGJWCPT-QGZVFWFLSA-N 370.321 5.028 0 1 FKAF CN1CCC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 45320404 PMHZPCFHCUJHCB-JVOXHRMMSA-N 374.572 5.277 0 1 FKAF Clc1ccc(CN[C@H]2CCCC[C@@H]2NCc2ccc(Cl)cc2)cc1 66080220 FQHCMJGVOMGZJD-PMACEKPBSA-N 363.332 5.184 0 1 FKAF CC[C@H](C)CCC[C@@](C)(CCCC(C)C)[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 102191758 FHBMTRKEZPTTIQ-XTAUHMBVSA-N 350.675 8.744 0 1 FKAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(C2CCCCC2)cc1 113792355 UJOVMGLSKCABPK-UHFFFAOYSA-N 357.837 5.338 0 1 FKAF Cc1ccccc1Nc1ncc(-c2cccc(OC(C)C)c2)c2c(N)n[nH]c12 198289994 XMJHDTUVOJUPFC-UHFFFAOYSA-N 373.460 5.046 0 1 FKAF CCCCC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 199853000 MLWQRRGIZDDKQR-UHFFFAOYSA-N 364.367 5.086 0 1 FKAF O=C(O)CCc1ccc2c(CCc3ccccc3)cn(-c3ccccc3)c2c1 299828081 GZEVVJRFHRRVCS-UHFFFAOYSA-N 369.464 5.433 0 1 FKAF OCCCCCCCCCCCc1nc2ccc(C(F)(F)F)cc2[nH]1 586894640 PURVCRFUZCVUPD-UHFFFAOYSA-N 356.432 5.627 0 1 FKAF CCc1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1Br 586976907 ITXHUNXVMCKPDI-UHFFFAOYSA-N 371.065 5.257 0 1 FKAF c1ccc(COc2ccc3nc([C@@H]4Cc5ccccc5S4)[nH]c3c2)cc1 587041836 FYWJJMJYQCIRMY-NRFANRHFSA-N 358.466 5.531 0 1 FKAF Cc1cccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587047164 CWJHIKIKNQXIEI-UHFFFAOYSA-N 353.252 6.512 0 1 FKAF COc1cc(OC)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587049532 MLEBXTSEWLITBJ-WDEREUQCSA-N 363.244 5.158 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccc(C)c3[nH]2)c1 587196213 UEYYPAFSEHASRG-UHFFFAOYSA-N 351.450 5.218 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)c1 587233857 VZJHJHVONDLGGT-UHFFFAOYSA-N 350.425 5.487 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587241229 RONNEAVSWGNJLF-UHFFFAOYSA-N 368.444 5.049 0 1 FKAF COc1cccc(-c2c(CC=C(C)C)c(C)nc3c2oc2ccccc23)c1 587364516 CGZWXVDIMBCCPF-UHFFFAOYSA-N 357.453 6.474 0 1 FKAF O=C1C[C@]2(CCSc3cc(F)c(F)cc32)Oc2c1ccc1c2CCCC1 587503153 CZIPGIKQBXWIFU-NRFANRHFSA-N 372.436 5.200 0 1 FKAF CCCc1c(-c2cc(Br)ccc2F)[nH]c2cccc(F)c12 587633607 HLZONKQKXJTPMH-UHFFFAOYSA-N 350.206 5.828 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(CCC(=O)O)c2c1 587642666 UIPZLTKEXURCGK-CYBMUJFWSA-N 355.865 6.019 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587780198 NOVAYXRDGKKOPK-UHFFFAOYSA-N 354.413 5.172 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2sccc2s1 587873210 WBQIIODIODJMJF-UHFFFAOYSA-N 372.446 5.053 0 1 FKAF CCOC(=O)COc1cccc(-c2nc(-c3cccc(Cl)c3)cs2)c1 587921402 WFPQBOWDIGKMCD-UHFFFAOYSA-N 373.861 5.072 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)cc1OC 587928467 FVYMZLSTHCTMGD-UHFFFAOYSA-N 364.832 5.568 0 1 FKAF CC(C)[C@@]1(O)CC[C@@H](C)[C@H]2CCC(COC(=O)C=Cc3ccccc3)=C[C@H]21 2356374983 LSWGCBZTDVMNJK-ZZSVKSCCSA-N 368.517 5.013 0 1 FKAF CC(=O)OCC(=CC[C@@]1(C)[C@H]2CCC[C@H](C)[C@@]2(C)CC[C@H]1C)CC(=O)O 2356739354 TUFNPGGUGDWLPI-YCKJQGHTSA-N 364.526 5.219 0 1 FKAF COc1ccccc1-c1sc2ccccc2c1-c1ccc2c(c1)OCO2 15934062 VVQZYZLPVUYCES-UHFFFAOYSA-N 360.434 5.973 0 3 FKAF Cc1ccc(-c2nc3c4ccccc4ccn3c2CC2CCCCC2)cc1 95571406 YTHVLDFBSPJTOF-UHFFFAOYSA-N 354.497 6.586 0 3 FKAF CCc1nnc(SCc2cccc(F)c2)c2cc3sc(C)cc3n12 6893927 VFZFQNHWSITIBG-UHFFFAOYSA-N 357.479 5.246 0 1 FKAF NCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 13588178 YRXBBYUECWYNNN-UHFFFAOYSA-N 371.469 5.042 0 1 FKAF Cc1cc2c(cc1[C@@H](C)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 13742680 XJSNHTMGLPUJFA-INIZCTEOSA-N 350.502 6.194 0 1 FKAF c1ccc2c(CCCCCN3CCN(C4CCCCC4)CC3)cccc2c1 22931159 FQCAQPNDTPKFEZ-UHFFFAOYSA-N 364.577 5.503 0 1 FKAF COc1ccc2c(Cc3ccccc3Cl)ccc([C@H](C)C(=O)O)c2c1 26641182 VCKVNCFWRSDZRL-ZDUSSCGKSA-N 354.833 5.281 0 1 FKAF Cc1ccccc1-n1cc(C)c2cnc3c(OC(F)(F)F)cccc3c21 26717708 CPVCWJNTCOXVGI-UHFFFAOYSA-N 356.347 5.694 0 1 FKAF Cc1ccccc1Cn1c(CC(F)(F)F)nc2cc(Cl)c(Cl)cc21 28817601 OESYAJLMVCUNCM-UHFFFAOYSA-N 373.205 5.805 0 1 FKAF COC(=O)C[C@H]1CCC[C@@H](CCCCCCCCCCc2ccccc2)O1 33816134 UYTVHKZGZWOESS-DHIUTWEWSA-N 374.565 6.241 0 1 FKAF biogenic O=C(Nc1ccccc1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12 38423144 NZOKOFZKUJDFLL-UHFFFAOYSA-N 362.820 5.527 0 1 FKAF COc1cc(OC)cc(/C(=C\c2ccccc2)c2ccc(OC)c(O)c2)c1 73165494 SXIWLFZFXCXMJJ-NHDPSOOVSA-N 362.425 5.007 0 1 FKAF O=C(c1ccccc1Oc1ccccc1)[C@@H](c1ccccc1)c1ccccn1 169333204 YWLKOXGOEVIXCD-DEOSSOPVSA-N 365.432 5.889 0 1 FKAF C/C(Cl)=C\CN1CC[C@@]2(c3ccccc3)c3cc(O)ccc3C[C@H]1[C@H]2C 221668390 PYBFPILFWVWSMG-IFYLUHFRSA-N 367.920 5.087 0 1 FKAF CCC/C=C/c1oc(CCCCCCCCCCC(=O)OC)c(C)c1C 238766349 GBDWNURZDWSWEU-DTQAZKPQSA-N 362.554 6.936 0 1 FKAF CC[C@]1(c2ccc3ccccc3c2)Sc2ccccc2-n2cccc2C1=O 473090585 WNDYGGFIIJJXGB-XMMPIXPASA-N 369.489 6.224 0 1 FKAF Oc1cccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587040812 RHNYZUFLNDKNOH-UHFFFAOYSA-N 359.454 5.114 0 1 FKAF Cc1cncc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587056308 LPKLUGQGFACFMU-UHFFFAOYSA-N 374.227 5.412 0 1 FKAF Cc1ccc2c3c(cc(-c4nc5ccccc5[nH]4)nc13)-c1ccccc1C2=O 587096080 FRZHNTPZMPKDPO-UHFFFAOYSA-N 361.404 5.298 0 1 FKAF CCCn1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)n1 587098093 NFMBWGHEIUEVFN-UHFFFAOYSA-N 367.452 5.337 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc(Cl)ccc3O)nc3cccc1c23 587103153 FJEJTNVHGIXCMA-UHFFFAOYSA-N 357.796 5.472 0 1 FKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc3cn[nH]c3cc2[nH]1 587129289 WFCIJKUZQKXMTK-UHFFFAOYSA-N 367.384 5.167 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]cc1-c1ccccc1)CC2=O 587485913 SBTFUIHUOPAWIY-HSZRJFAPSA-N 361.441 5.220 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3cc(C)ccc3c1)CC2=O 587490110 RQKKISFHZVKPIZ-XMMPIXPASA-N 360.453 5.687 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1csc(-c3ccsc3)n1)CC2=O 587493848 GYSXZHXHPAZBAX-QGZVFWFLSA-N 371.483 5.236 0 1 FKAF CC(C)COc1cccc(OCc2nc3cccc(C(F)(F)F)c3[nH]2)c1 587565872 LVBCVTHTFDFBQW-UHFFFAOYSA-N 364.367 5.196 0 1 FKAF Cc1c(-c2c(F)cccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622952 VHEOJKKPRUBOHX-UHFFFAOYSA-N 362.177 5.060 0 1 FKAF CCCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(Cl)c(F)cc12 587628706 SZYQODVLCKSSNG-UHFFFAOYSA-N 356.655 6.887 0 1 FKAF CC1=C(C)C[C@H]([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587818849 FTRURWXOUAWFGO-VFVRVIDISA-N 352.291 5.300 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2cccs2)N1 587853371 QJLWKIMUTNFXCG-GWDCIYSYSA-N 366.299 5.113 0 1 FKAF Brc1ccnc2[nH]c(/C=C/c3cccc4ccccc34)nc12 587967652 ICDXLSGORKDZAW-CMDGGOBGSA-N 350.219 5.044 0 1 FKAF C[C@@H]1CC=CC[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 587967829 SWLFTPDJFZIVAH-RKDXNWHRSA-N 370.088 5.158 0 1 FKAF COc1cc(O)c(C(=O)CC(C)C)c2c1[C@@H]1C[C@H](C(C)C)C=C[C@]1(C)O2 1857636068 TZTSRCMFKAPIBB-GTQRCTGISA-N 358.478 5.096 0 1 FKAF CC[C@H](C(=O)O)c1ccc(Cc2ccc(F)cc2)c2ccc(OC)cc12 26647426 WONYNLTWGIEAMI-SFHVURJKSA-N 352.405 5.157 0 1 FKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 27652257 XAUNJOUEWQWLCP-VURPSTOHSA-N 370.577 7.323 0 1 FKAF COc1ccc2c(c1)OC(C)(C)C(c1ccc(O)cc1)=C2c1ccccc1 27654909 NUVUUNIHLWCXSL-UHFFFAOYSA-N 358.437 5.531 0 1 FKAF COc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2CC[C@H](F)C3)cc1 27706021 OUWFYTHABPBKTA-HNNXBMFYSA-N 356.828 5.028 0 1 FKAF COc1ccc(-c2nc(SC(F)F)[nH]c2-c2ccc(OC)cc2)cc1 28220057 ZXZUNDYHNBZXBX-UHFFFAOYSA-N 362.401 5.076 0 1 FKAF CC1(C)CCC[C@]2(C)c3cc(OCc4ccccc4F)c(O)cc3CC[C@H]12 28568362 BAAYEANQHHZSNZ-ISKFKSNPSA-N 368.492 6.141 0 1 FKAF O=C(OCc1cccs1)C1=C(c2ccc(Cl)c(Cl)c2)CCC1 28957323 HTBZTZYEMXZZLC-UHFFFAOYSA-N 353.270 5.736 0 1 FKAF C[C@H]1C[C@@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn32)C1 100619020 QGOZENOWZVKVDU-JCNLHEQBSA-N 370.456 5.284 0 1 FKAF CC(C)n1c2c(c3ccccc31)[C@H]1CC[C@H](C2)N1CCCCc1ccccc1 100753648 DPCGTROJFNXOEE-ZJSXRUAMSA-N 372.556 6.307 0 1 FKAF Cc1c(C(=O)Nc2ccc(-c3ccccc3)cc2)nc2ccccc2c1O 169350337 SDGWNJONMCIUCZ-UHFFFAOYSA-N 354.409 5.168 0 1 FKAF 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@]12C 299805750 AZFLHSKQKSZOET-JWFYPXJISA-N 374.565 5.283 0 1 FKAF Brc1cccc(OCCCOc2ccc(-n3cccc3)cc2)c1 473112650 FYIBFLYNRMAESJ-UHFFFAOYSA-N 372.262 5.088 0 1 FKAF Oc1ccccc1-c1cc(-c2cccs2)nc2c1COc1ccccc1-2 473117998 JRIYWOAYUSHDPI-UHFFFAOYSA-N 357.434 5.742 0 1 FKAF Clc1ccc(CN=c2nc3c(c[nH]2)CSc2cc(Cl)ccc2-3)cc1 473145203 OVUTXYXNOBNGCY-UHFFFAOYSA-N 374.296 5.090 0 1 FKAF Cc1ncc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(C)c1Br 586979091 QBPDEAINKHQTBQ-UHFFFAOYSA-N 370.172 5.023 0 1 FKAF Brc1ccc2cc(-c3nc4cc5ccccc5cc4[nH]3)cn2c1 587006471 OHAXNFAKCVATMT-UHFFFAOYSA-N 362.230 5.398 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Cl)ncc2[nH]1 587013689 BHWLUGTXXXGDHI-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF Cc1ccnc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc12 587015629 SWBQNJWQURTPRO-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF O=C(c1ccc(Cl)cc1C(F)(F)F)c1coc2ccc(Cl)cc12 587279026 ULMSYFFRFSDQJW-UHFFFAOYSA-N 359.130 5.989 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H]3C2CC2)c1 587366822 NCWWSJXXOMOQPR-KRWDZBQOSA-N 355.437 6.096 0 1 FKAF CCCc1c(O)ccc2c1OC1(CCC(c3ccccc3)CC1)CC2=O 587483706 RPWAUMSQDWYRKF-UHFFFAOYSA-N 350.458 5.407 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1csc(-c3cccs3)n1)CC2=O 587496142 RVTNSPZVWXZDRL-INIZCTEOSA-N 371.483 5.236 0 1 FKAF CCCc1ccc(OCC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523671 LYLMXMZQNFFOME-QHCPKHFHSA-N 364.485 5.623 0 1 FKAF CC(C)CCOc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523731 PCRRPBMSHBYZMI-HSZRJFAPSA-N 364.485 5.697 0 1 FKAF CC(C)=CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527493 XGDWMINGFYKLIQ-HSZRJFAPSA-N 362.469 5.617 0 1 FKAF Cc1sc2ccccc2c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587536141 RZFANWZGSMTULB-QHCPKHFHSA-N 362.494 5.969 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1cc(F)ccc1Br 587629347 LGXPPZRJHAHTON-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF O=C(c1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12)C(F)F 587629392 NQYBEQSMXKFORB-UHFFFAOYSA-N 358.146 5.729 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C)c(C)c3)c2c1 587641163 KTBAXRQBLYOWHQ-GFCCVEGCSA-N 373.418 6.548 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2csc(Cl)c2)N1 587850182 YBVKXEVYUHYFMM-ANRSDYALSA-N 374.706 5.101 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587959535 OSPJHKLVZSRYMK-UHFFFAOYSA-N 370.452 5.290 0 1 FKAF COc1ccc2c(c1)[C@H](c1ccc(CSC(F)F)o1)N(C(C)C)CC2 962047334 UZYBFDHRNDZERQ-GOSISDBHSA-N 367.461 5.100 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3Cl)cc(-c3ccccc3)n2)c1 1857609400 IMYRSEMLUXSBNP-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3F)nc3c2Cc2c(O)cccc2-3)c1 1857621170 AXRITGBWJKTPIH-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF O=c1ccc2ccc(OCCCCCCCCCCn3ccnc3)cc2o1 1857653526 LYZRHAAXZQPVNR-UHFFFAOYSA-N 368.477 5.189 0 1 FKAF COc1ccc(Cl)c(-c2ccc(NC(=O)c3ccccc3F)cc2)c1 1857761710 JFNRCQCKLPNZRN-UHFFFAOYSA-N 355.796 5.407 0 1 FKAF CC(C)=CCCC(C)=CCOc1ccccc1-c1cc2ccccc2oc1=O 2356761055 DRRPROBKGPXQGU-UHFFFAOYSA-N 374.480 6.532 0 1 FKAF CCCC(=O)CCCCCCCCCCCc1cccc(O)c1C(=O)O 2356862420 VAQIDSSPXGTBJK-UHFFFAOYSA-N 362.510 5.903 0 1 FKAF CC(=O)Oc1ccc2c(c1)C[C@]1(C)[C@H](C)CC[C@@H]3C(C)(C)CCC[C@]31O2 13374384 MQRRSNNZKRHXGT-ICYYRSKXSA-N 356.506 5.548 0 1 FKAF biogenic Cc1c(-c2ccc(-c3ccccc3)cc2)nc2c(Cl)cccc2c1C(=O)O 29325238 KZSLVBGLALNPGX-UHFFFAOYSA-N 373.839 6.229 0 1 FKAF CC1CCN(c2ccc(N)cc2C(=O)c2ccc(Cl)cc2Cl)CC1 29329184 FUGMRZHLCUWNBQ-UHFFFAOYSA-N 363.288 5.043 0 1 FKAF CCCCCCSC[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 36190233 YHSIOGBAMKKEDO-OZNOAJPFSA-N 354.556 5.295 0 1 FKAF CC(C)[C@@H]1C[C@H]2[C@@]3(C)C[C@H](C[C@@H]1C3)[C@@]2(C)NC(=O)NCCc1ccccc1 38932868 SXRJJDBOHDXGCU-UNLFXZTRSA-N 368.565 5.015 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 64622593 APXXTQNUGVCUBV-VPANYUCPSA-N 370.665 8.418 0 1 FKAF in-vitro Cc1cnc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccccc2C)o1 82177205 RFOQMKIADDVRPM-BEFAXECRSA-N 362.477 5.406 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccccn3)c2)cc1 95555924 QTBXUAAMYAYCML-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF O=C(Oc1cccc(-c2ccccc2)c1)N1CCc2c([nH]c3ccccc23)C1 95596701 DSQDJFIPMKAAEA-UHFFFAOYSA-N 368.436 5.392 0 1 FKAF Cc1ccc(NC(=O)N2CCC3(CCc4cccc(Cl)c4O3)CC2)cc1 96286126 RPVLQGQDRMWKED-UHFFFAOYSA-N 370.880 5.040 0 1 FKAF COc1ccc(-c2cc3cc(OC)ccc3nc2C(=O)c2ccccc2)cc1 169312337 BNEHPERGGQNXCH-UHFFFAOYSA-N 369.420 5.150 0 1 FKAF C[C@H]1CCC2=C(C1)c1c(O)cc([C@H](C)CCCN(C)C)cc1OC2(C)C 169343255 UXALZDQQEPFNDH-JKSUJKDBSA-N 357.538 5.582 0 1 FKAF Cc1ccc2c3c(c(Cc4cccc(Cl)c4)cnc13)-c1ccccc1C2=O 586993654 PFVOTKNMQPGOOO-UHFFFAOYSA-N 369.851 5.999 0 1 FKAF Brc1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587024136 WKVUALHYCLBMQC-UHFFFAOYSA-N 362.277 5.177 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cncnc2[nH]1 587070479 HKFPJMVMOOAOOH-VIOZHWCHSA-N 359.260 5.026 0 1 FKAF Cc1cccnc1Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098461 VHOTYASMKLGSDJ-UHFFFAOYSA-N 350.421 5.049 0 1 FKAF CC(=O)c1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587099419 HWLMTUMOYMKDCG-UHFFFAOYSA-N 363.416 5.624 0 1 FKAF CCN(CC)[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587102964 BTZGADPCOWHIQJ-HXUWFJFHSA-N 356.469 5.165 0 1 FKAF COc1ccc(-c2ccc(-c3nc4ccc(Cl)nc4[nH]3)c(F)c2)c(F)c1 587148141 BUSPKTDCTJWDAF-UHFFFAOYSA-N 371.774 5.232 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587171043 XKYRYLBNKVVSOZ-VIFPVBQESA-N 372.362 5.756 0 1 FKAF Brc1ccc2c(c1)-c1nc3cccc4c3c(c1CCC2)CC4 587208316 PTXMDONGSLCZNX-UHFFFAOYSA-N 350.259 5.252 0 1 FKAF COC(=O)c1cccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c1 587213790 LIKLRWYUENFDBT-UHFFFAOYSA-N 365.432 5.454 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 587242921 ZESCWNZQRYIRDS-UHFFFAOYSA-N 369.346 5.698 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cccc1Oc1ccccc1)O2 587381323 HBYNSAAYQVYYHQ-FQEVSTJZSA-N 363.388 5.215 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1C[C@H]1c1ccc(F)cc1)CC2=O 587472953 WZJWHLXPCNUQRX-SVMVAKDDSA-N 354.421 5.011 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(C(C)(C)C)CC2=O 587478985 LHXHUEYNXPRVTG-QHCPKHFHSA-N 368.473 5.260 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccncc3)c1)CC2=O 587491511 UHAWCUVGKUFCCR-JOCHJYFZSA-N 359.425 5.113 0 1 FKAF O=C1C[C@@H](c2cc(Cl)cc(Cl)c2O)Oc2c1ccc1c2CCCC1 587498073 LXNRILVOHIMQAA-KRWDZBQOSA-N 363.240 5.284 0 1 FKAF Cc1cc(Cl)cc2c1OCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587505138 YJHANXQTEIOHAR-JOCHJYFZSA-N 368.860 5.170 0 1 FKAF Nc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507887 COFRICDPRQXMPE-RUZDIDTESA-N 369.464 5.057 0 1 FKAF CC(C)[C@@]1(CSc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532382 MGJKUFGUGOHBIT-QHCPKHFHSA-N 366.526 5.718 0 1 FKAF CC(C)Sc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534340 YWQDDNBZESJHHV-HSZRJFAPSA-N 366.526 5.947 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603106 KXIBBLGOUODVPA-UWTPZGIJSA-N 366.457 5.185 0 1 FKAF Cc1oc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615797 HNOBDYGUCGFFNO-OFNKIYASSA-N 372.376 5.150 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(C(=O)C(F)(F)F)c2c1 587642148 PJFRFHFEFFYKJW-NSHDSACASA-N 363.354 6.233 0 1 FKAF CCOc1ccccc1OCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587779708 DWYRLWVVOANQHN-UHFFFAOYSA-N 370.758 5.213 0 1 FKAF CC(C)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809907 BMZASERWFLFFSM-ORAYPTAESA-N 362.286 5.022 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 587959046 LJJLHMUBMPZOMB-UHFFFAOYSA-N 368.267 5.831 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cn(-c2cccc(F)c2)nc1C 963227553 JPKWNGFTFMTEHT-HJPURHCSSA-N 363.480 5.066 0 1 FKAF Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1ccccc1Cl 1772583709 DZJPWTMIJVVQEC-UHFFFAOYSA-N 372.855 6.116 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)C1=CC=C2c1cncc(F)c1 1772590124 RDFVRAHOCDLVRG-IZVJSRMBSA-N 365.492 5.458 0 1 FKAF CC1(C)[C@H]2CC=C(CCOc3ccc4c5c(c(=O)oc4c3)CCCC5)[C@@H]1C2 1772646979 MXZKWWISOYIZAV-KKSFZXQISA-N 364.485 5.433 0 1 FKAF CCO[C@@H]1Cc2ccccc2C2(CCC(N(C)CC3CCCCC3)CC2)O1 1857544572 IKMGBUAQTLFZNA-RZMWZJFBSA-N 371.565 5.272 0 1 FKAF Oc1ccccc1-c1cc(-c2cccc(F)c2)nc2c1Cc1c(O)cccc1-2 1857612199 WPMDXSGVKPGWAP-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF COc1ccc(COc2cccc(-c3cc(=O)c4ccccc4o3)c2)cc1 1857614419 OBHGCEHOEZAGLR-UHFFFAOYSA-N 358.393 5.048 0 1 FKAF CCCCn1c(C2CCCCC2)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21 15936800 YLAFVPLRJRASQW-UHFFFAOYSA-N 366.509 5.244 0 3 FKAF COc1ccccc1-c1noc2nc(Nc3cccc(Cl)c3)ccc12 206055004 YDOSQJPDDCDXBH-UHFFFAOYSA-N 351.793 5.295 0 3 FKAF CC(C)CCC[C@H](C)CCC[C@H](C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 13545974 YSACNAXEZHCMEQ-FOZARLDVSA-N 365.646 6.127 0 1 FKAF CN1[C@H]2CC[C@@H]1C[C@@H](c1ccc(Cl)cc1)[C@@H]2c1nc2ccccc2s1 26670525 VNCQCMIYVRPIMZ-JMVFIXPQSA-N 368.933 5.684 0 1 FKAF CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(C=C=CCCCC(=O)O)cc1OC2(C)C 27747993 CCDFPCRJFJIHKU-JYGRLGCHSA-N 368.473 5.426 0 1 FKAF CCOc1ccc(-n2c(C)c3c(C)nnc(NC[C@H](C)CC)c3c2C)cc1 28569398 KVWIBRKJWKMPQU-CQSZACIVSA-N 366.509 5.202 0 1 FKAF Cc1cc(-c2cc(Cl)cc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@H]2C 29043413 TVKQINGZQAQVCA-GFCCVEGCSA-N 373.327 7.148 0 1 FKAF COc1ccccc1[C@]1(c2ccc(C(C)(C)C)cc2)C(=O)Nc2ccccc21 29545485 ULMQLXLPBAZIKB-RUZDIDTESA-N 371.480 5.279 0 1 FKAF O=C(C[C@@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12)c1ccccc1 35076035 SSTHGODKLRUSLF-FQEVSTJZSA-N 359.856 6.226 0 1 FKAF CC1(C)CC(=C(c2ccc(O)cc2)c2ccc(C(=O)O)cc2)CC(C)(C)C1 38358126 KNQLNDPHLXIOCY-UHFFFAOYSA-N 364.485 6.129 0 1 FKAF Cc1cccc(-c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)C2)c1 40846884 HXKQDMUOVXCZRO-UHFFFAOYSA-N 366.464 5.342 0 1 FKAF CCCO[C@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cnc(C)c1 45367041 NPXXXZGTBMEGTC-MSOLQXFVSA-N 366.958 6.043 0 1 FKAF CCCCCCN(CCCCCC)C(=O)c1nc(-c2ccccc2)no1 72118815 SACWKEYRAIGMGC-UHFFFAOYSA-N 357.498 5.339 0 1 FKAF Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1C 84653385 OAAMFTHKHYYBET-UHFFFAOYSA-N 374.480 5.875 0 1 FKAF CN(CC1=CCCCCCC1)Cc1ccc(I)cc1 95563444 MEBVDVKSUCNCRJ-UHFFFAOYSA-N 369.290 5.004 0 1 FKAF Cc1cc(Cl)c(N2C(=O)c3cccc4cccc(c34)C2=O)c(Cl)c1 98085741 GGRWEFFZZCGYNK-UHFFFAOYSA-N 356.208 5.256 0 1 FKAF Cc1ccc2c(c1)c1c(n2CCCNCc2cccc(F)c2)CCCC1 103298747 RVNGFIWPJLPWBQ-UHFFFAOYSA-N 350.481 5.148 0 1 FKAF COc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(CC=C(C)C)[C@@H](C2)[C@H]1C 299846544 DJWPZHRFUWGANW-NGXZDTIWSA-N 361.529 5.214 0 1 FKAF Clc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587048245 GNAQAYWQTBANMU-SFYZADRCSA-N 372.082 6.448 0 1 FKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 587051660 RIPKKZLCVPLNOJ-UHFFFAOYSA-N 366.223 5.270 0 1 FKAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc2n1C 587105032 LSESJVIYXBOXHT-UHFFFAOYSA-N 374.443 5.913 0 1 FKAF Cc1cc2nc(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)[nH]c2cc1C 587143997 DRUFZQOHJJWLSU-UHFFFAOYSA-N 374.415 5.659 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccncc2C3)c1 587362083 DGIWDPXMROHCSW-UHFFFAOYSA-N 364.404 5.623 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1coc3c1cc(O)c1ccccc13)O2 587412796 OYZIBHSCOFKGNL-HSZRJFAPSA-N 373.408 5.063 0 1 FKAF CC[C@@]1(c2ccccc2OC(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587508973 USBGYRBOVNJCKB-QFIPXVFZSA-N 372.411 5.438 0 1 FKAF CC(C)n1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587514142 FXQQYLRMIUYMBL-NRFANRHFSA-N 360.457 5.203 0 1 FKAF CC(C)Oc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526490 XTMRPAYMOXLAMD-QHCPKHFHSA-N 350.458 5.233 0 1 FKAF O=C(Nc1ccccc1)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587629758 GMQMYHXZMDOVFP-UHFFFAOYSA-N 356.706 5.232 0 1 FKAF Cc1cc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c(C)n1 587785237 ZDBBQQBZROFGNL-RAXLEYEMSA-N 355.441 5.324 0 1 FKAF CCCCC[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813771 PSYDSMRXHXJCMZ-BFUOFWGJSA-N 370.350 5.944 0 1 FKAF CSc1ccc(-c2csc(COc3ccc(F)cc3Cl)n2)cc1 587924838 LEJRKJXUNLEAQD-UHFFFAOYSA-N 365.882 5.904 0 1 FKAF CC(C)(C)c1cccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587950664 SVRRTHWKOFXDEI-UHFFFAOYSA-N 356.469 6.244 0 1 FKAF CC1(C)CCC(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)CC1 587961293 RIRFCONQBMESHM-UHFFFAOYSA-N 350.531 6.473 0 1 FKAF CC(C)=CCC/C(C)=C/c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587968443 QOWVNTZYBPLEID-FMIVXFBMSA-N 372.412 5.006 0 1 FKAF Cc1nc(-c2ccc(C3=CCCCCC3)cc2)sc1-c1ccnc(N)n1 653829341 HGJRASSLBNYNIC-UHFFFAOYSA-N 362.502 5.505 0 1 FKAF CCCCCC[C@@]1(C(C)C)NC2(CC2)Cc2ccc(Br)cc21 961614444 LUXXMVYZWUMSGD-FQEVSTJZSA-N 364.371 5.949 0 1 FKAF Cc1nc(-c2ccc(F)cc2)sc1[C@]1(C)NCCc2c1sc(C)c2C 963023144 LHWZKIBTTYLUOX-FQEVSTJZSA-N 372.534 5.345 0 1 FKAF COc1cc2c(cc1[C@@H](C)c1cc(C(C)C)c(C)cc1O)C=CC(C)(C)O2 2356474138 DWHKKZNVVVMQDT-INIZCTEOSA-N 366.501 6.169 0 1 FKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)Cc1cc2scnc2cc1O 2356799249 UFIAWNHKMLLRGF-FPHUIIFBSA-N 355.547 6.343 0 1 FKAF COc1ccc2sc(/C=C\c3cc(OC)c(OC)c(OC)c3)cc2c1 2382220401 DVUWHOPXWGEPJL-ALCCZGGFSA-N 356.443 5.106 0 1 FKAF O[C@@H](c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2Cl)c[nH]1 61904964 OSLNSFHEQBAFMI-HNNXBMFYSA-N 353.636 5.119 0 3 FKAF CCCCCc1c(Cc2ccccc2)ncn1CCc1ccccc1OC 95565538 NIBULRLGNGRSNO-UHFFFAOYSA-N 362.517 5.458 0 3 FKAF CCc1c(-c2ccc(OC)cc2)ncn1Cc1cccc(-c2ccccc2)c1 95565786 GGFYKGORSRNUEA-UHFFFAOYSA-N 368.480 5.836 0 3 FKAF CCCCc1c(-c2ccccc2OC)ncn1Cc1c(F)cccc1F 198627281 YPEZIZRZLQCQKP-UHFFFAOYSA-N 356.416 5.228 0 3 FKAF CC(C)CCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)cc1F 776346 NOFLSHIJEKOVTF-UHFFFAOYSA-N 366.864 5.208 0 1 FKAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)cc(Cl)c1O 29559425 LJWNABZKTWNNQC-UHFFFAOYSA-N 366.031 5.650 0 1 FKAF CC[C@]1(c2cccc(Br)c2)ON=C(c2ccc(Cl)cc2)O1 40829580 RRQPMAFDMKJSQX-MRXNPFEDSA-N 366.642 5.074 0 1 FKAF Cc1cc(C)cc(NC(=O)c2c[nH]c3cccc(NCc4ccncc4)c23)c1 66074157 RLUICXBNGYJZJA-UHFFFAOYSA-N 370.456 5.044 0 1 FKAF Oc1ccc(-c2cc(-c3ccsc3)nc(-c3ccccc3Cl)c2)cc1 95552692 ANTVHXUIMFFOKZ-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF O=C(O)c1ccc(NC(=O)c2ccc3cccc(-c4ccccc4)c3c2)cc1 98209058 BVFVCDJTSNPOPW-UHFFFAOYSA-N 367.404 5.457 0 1 FKAF in-vitro Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3[nH]nc(-c4ccccc4)c32)cc1 103535826 LHWUUNLPCDOQKB-LJQANCHMSA-N 355.441 5.599 0 1 FKAF Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cccc(F)c4F)cc3)[nH]c2c1 113982154 KTVZZUTVIUIUPJ-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF Cc1cc2cnn(C)c2cc1-c1ccc(C(=O)Nc2ccccc2F)s1 142580731 ZNPKKPWHPIOPCQ-UHFFFAOYSA-N 365.433 5.002 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C\C(C)=C/C(=O)N[C@@H](C)C(=O)O)C(C)(C)CCC1 169358523 JSNAKIATBRGNKG-JPCAVTNISA-N 371.521 5.107 0 1 FKAF C[C@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)C1=O 169717845 CKHNVMICQILYMB-IQMFZBJNSA-N 366.526 5.431 0 1 FKAF FC(F)(F)C(F)(F)c1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cn1 586884152 OJRKNXSVGADPSY-DJQAVVSRSA-N 371.353 5.080 0 1 FKAF COc1cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2cc1Cl 586896464 MMQVQMKPYVEEJP-UHFFFAOYSA-N 358.869 5.844 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(Cl)c(F)c4)nc13)-c1ccccc1C2=O 586995712 NNKYQTVWLYPGAJ-UHFFFAOYSA-N 373.814 6.214 0 1 FKAF Fc1cc(Cl)cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587015450 DMRLZJHRIBPMER-UHFFFAOYSA-N 364.232 5.799 0 1 FKAF CCc1ccc(-c2nc(-c3nc4cc(F)c(F)c(F)c4[nH]3)cs2)cc1 587016270 SZTKUFRRUQSCNQ-UHFFFAOYSA-N 359.376 5.333 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 587027200 QMVXBNGHOIYHRB-UHFFFAOYSA-N 364.495 5.289 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@H]3Cc4ccccc4S3)nc2c1 587041692 DKGUPJLWDOJNEZ-CYBMUJFWSA-N 354.784 5.625 0 1 FKAF COc1cc(Cl)ccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587066198 IQSGDRPVWGHMNM-UHFFFAOYSA-N 366.873 6.043 0 1 FKAF COc1cc(Cl)ccc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 587066644 PJHBPDVQJNVTLL-UHFFFAOYSA-N 365.658 5.271 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc(OC(F)F)c3)nc3cccc1c23 587103955 OTPRHTBWNZNEII-UHFFFAOYSA-N 373.358 5.715 0 1 FKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(Cl)cnc2[nH]1 587129274 VYYVQTVNOINFMO-UHFFFAOYSA-N 362.792 5.339 0 1 FKAF Cc1cc(Br)c(-c2nc3cc(C)c(Cl)cc3[nH]2)cc1F 587137786 LHFFGNACGMHWFO-UHFFFAOYSA-N 353.622 5.402 0 1 FKAF Fc1ccc(/C=C\c2nc3cc(Cl)cc(Br)c3[nH]2)c(F)c1 587149194 NABZPVUSBZVPIG-RQOWECAXSA-N 369.596 5.427 0 1 FKAF COc1ccc(-c2ccc(-c3nc4c(C)ccc(C)c4[nH]3)c(F)c2)c(F)c1 587152772 QMUPFBNXOOGOFY-UHFFFAOYSA-N 364.395 5.801 0 1 FKAF CCc1ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587190506 IEVKPYFPUWULSR-IBGZPJMESA-N 365.477 5.082 0 1 FKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 587242008 LFGXKKVCXITHRR-UHFFFAOYSA-N 359.832 5.397 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)c1ccccc1C(F)(F)F)O2 587381439 IZMYTDSFWNBJHT-BUXKBTBVSA-N 363.379 5.124 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)c(C)c1)CC2=O 587463333 WXZCBCIBZWDVDQ-SFHVURJKSA-N 364.363 5.378 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)Sc1ccccc1)CC2=O 587491109 ILRIAETVEHWNJH-IBGZPJMESA-N 356.487 5.249 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccsc3)s1)CC2=O 587495517 OUQLQCOPEOCWNH-MRXNPFEDSA-N 371.483 5.236 0 1 FKAF Cc1cc(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587502520 LGZKXWWSGQUGSI-LJQANCHMSA-N 371.274 5.343 0 1 FKAF CCCCC1(CCCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604869 ZSQUTRSODVPDSP-IBGZPJMESA-N 354.446 5.473 0 1 FKAF Cc1c(-c2ccc(Br)cc2Cl)[nH]c2ccc(F)c(Cl)c12 587628124 IKOSUJFBQIEYKQ-UHFFFAOYSA-N 373.052 6.352 0 1 FKAF O=C(c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12)C(F)F 587629060 FGZHAYPXSHVHJG-UHFFFAOYSA-N 358.146 5.729 0 1 FKAF CCc1c(-c2ccc(Br)cc2)[nH]c2ccc([C@H](C)CC)cc12 587638228 DITWBLJAVGSPKV-CYBMUJFWSA-N 356.307 6.673 0 1 FKAF CCCCC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812802 KTGBQIMDLNWZPU-ORAYPTAESA-N 370.350 5.944 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2CCCCC2)(C2CC2)N1 587816044 SPSRIXBMAUMUPV-BUXKBTBVSA-N 366.318 5.308 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C\c2ccccc2)N1 587816123 UQYWSSNAJDOGMR-BPRJSDSCSA-N 360.270 5.051 0 1 FKAF CCCCCC[C@H](C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587817675 DNGZYKJVWFKDJD-LXIYXOSZSA-N 356.323 5.770 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCC(C)(C)C2)N1 587818426 DDICKADGECSIAO-BTJLNZGRSA-N 354.307 5.380 0 1 FKAF Cc1ccccc1/C=C\[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587819720 MSXDAAOGIYABCW-OMBZKJEESA-N 360.270 5.185 0 1 FKAF CC/C=C(\c1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821417 UVXBXJVWXKPJJV-ZOQOKKBUSA-N 374.297 5.657 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587824491 XBHVTBWTJPSLLJ-FCIKYMEBSA-N 368.334 5.410 0 1 FKAF COc1ccc(Br)cc1-c1nc(-c2ccc(F)cc2)cs1 587922385 CWJTWDHMUJJMOL-UHFFFAOYSA-N 364.239 5.387 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)cc1 1772574873 CEVZLXLURPNUOG-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF Cc1ccncc1C1=CC=C2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 1772639177 NKUZBGADMLLMCT-LTVGEQCYSA-N 363.545 5.707 0 1 FKAF CCCCC(=O)Nc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1 1772649476 PJVHMXVAPWLYOL-UHFFFAOYSA-N 365.864 5.593 0 1 FKAF Fc1c(-c2ccccc2)nc2[nH]nc(-c3ccccc3)c2c1-c1ccccc1 1772654767 QQOXEJSHKSCLQR-UHFFFAOYSA-N 365.411 6.098 0 1 FKAF CC(C)=CCC[C@](C)(O)CCc1c(O)cc(O)cc1CCc1ccccc1 1857540129 WBEHOKINRBWMRB-DEOSSOPVSA-N 368.517 5.313 0 1 FKAF COCC[C@H](CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C)C(=O)OC 2356509218 IARINBYKFZKPKN-JYLXEMOASA-N 350.543 5.391 0 1 FKAF CC(C)c1cccc(Nc2cc3c(cn2)nc(Nc2ccccc2)n3C)c1 74388271 QIIJQYHRXDILBU-UHFFFAOYSA-N 357.461 5.579 0 3 FKAF COc1ccc2cc([C@@H](C)[C@H](O)c3cc(F)c(F)c(F)c3F)ccc2c1 1635373 DHLOUZZUEJCHDZ-SBKAZYGRSA-N 364.338 5.242 0 1 FKAF CCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C 11616275 RSEPBGGWRJCQGY-UKPGDCENSA-N 356.506 5.350 0 1 FKAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 26288774 XAUNJOUEWQWLCP-KOUHRCEDSA-N 370.577 7.323 0 1 FKAF CCCCC[C@@H](O)CCC[C@H](CCCc1cccc(C(=O)O)c1)C(C)=O 27085982 IMGVNPALGBFDNS-PZJWPPBQSA-N 362.510 5.024 0 1 FKAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccccc1)C(F)(F)F 28862173 GODVLDDDFMZIIA-LJQANCHMSA-N 370.386 5.038 0 1 FKAF Cc1cccc(NC(=O)O[C@@H](Cn2nc(C(C)C)cc2C(C)C)C(C)C)c1 40892445 HRZULLCOZUILFP-NRFANRHFSA-N 371.525 5.712 0 1 FKAF CCCCCc1cc(NC(N)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 45372624 NSXPHGOSDJTOEQ-IAGOWNOFSA-N 356.510 5.521 0 1 FKAF CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)c3[nH]c4ccccc4c3C[C@]21C 95579420 JHGQXMTWEJBAOR-BKMJKUGQSA-N 373.540 6.351 0 1 FKAF NCCSC(c1ccccc1)(c1ccccc1)c1ccc2c(c1)CCCC2 95583894 HDQXKARBJCKMRU-UHFFFAOYSA-N 373.565 5.549 0 1 FKAF Cc1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c(C)c1 96910021 OWIDBBBKDHVHLM-UHFFFAOYSA-N 356.513 5.293 0 1 FKAF Clc1ccc(C2(OCc3ccccc3)C[C@@H]3CC[C@@H](C2)N3)cc1Cl 101300694 SGWFXQFBBZKSIH-IRXDYDNUSA-N 362.300 5.320 0 1 FKAF C/C1=C/C[C@](O)([C@H](C)CC/C=C(\C)CO)CC/C(C)=C/CC/C(C)=C/CC1 238756861 YSQWNHGXBZOTNJ-PTTBOPQISA-N 374.609 6.656 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 255280496 XIIAYQZJNBULGD-AHJJZXDVSA-N 372.681 8.498 0 1 FKAF O=C(CC1CCCCC1)Nc1ncc(Cc2cccc3ccccc23)s1 299870926 XFGYBHNPBQVUFL-UHFFFAOYSA-N 364.514 5.796 0 1 FKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 586879747 QJBRTZNGFCEBGA-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF Fc1cnc(Cl)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc12 587016198 ROKGASXJPPJKHC-UHFFFAOYSA-N 365.220 5.194 0 1 FKAF Cc1c(F)ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc12 587031061 NZRSFXJAQNDGOB-GFCCVEGCSA-N 365.477 5.969 0 1 FKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Cl)ncc(F)c2[nH]1 587067005 XXXJNKGXQFFITG-UHFFFAOYSA-N 361.207 5.170 0 1 FKAF Oc1ccccc1-c1cc(-c2nc3cccnc3[nH]2)c2cccc(Cl)c2n1 587082206 IJTAIDGUPFGWRW-UHFFFAOYSA-N 372.815 5.199 0 1 FKAF Cc1ccc2c3c(cc([C@@H]4C[C@H]5C=C[C@H]4CC5)nc13)-c1ccccc1C2=O 587099869 WBTVAYGJEHICBW-TWOQFEAHSA-N 351.449 5.824 0 1 FKAF COc1ccc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c2c1 587145888 ULUHJORVKKLNNP-UHFFFAOYSA-N 366.823 6.006 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3cc(Br)ccc3[nH]2)cc1 587164066 NTBSKKLTLNXTBG-UHFFFAOYSA-N 373.250 5.860 0 1 FKAF O=C(c1ccc(F)cc1Br)c1coc2ccc(Cl)cc12 587278692 RQKGGZGILZXHQO-UHFFFAOYSA-N 353.574 5.219 0 1 FKAF COc1cccc(-c2c(C)c(-c3cccnc3)nc3c2oc2ccccc23)c1 587362123 FIJLJRYJIDGKBL-UHFFFAOYSA-N 366.420 6.027 0 1 FKAF CC[C@H](C)n1nc(C)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587507633 RPOKNRPKCNPCPJ-KPZWWZAWSA-N 372.896 5.401 0 1 FKAF CC(C)(C)[C@@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525342 RWTXGLNTLFQBAV-RUZDIDTESA-N 362.513 5.948 0 1 FKAF CCCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600242 AJXSCKYMKIQMRW-REWPJTCUSA-N 360.409 5.048 0 1 FKAF CC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 587629842 KSTIOYVDKJRBBA-UHFFFAOYSA-N 355.718 5.849 0 1 FKAF CC(C)(C)Sc1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cn1 587921948 DGOVMVDUQPYWJR-UHFFFAOYSA-N 362.470 6.041 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc(Cl)c(F)c(F)c4[nH]3)ccc2c1 587935863 VTDOWIOCODMKFS-SNVBAGLBSA-N 372.802 5.808 0 1 FKAF COc1ccc(-c2cccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)cc1 587936672 YDRACILRTQNONL-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF CCC[C@H](C)[C@@]1(c2ccccn2)NCCc2cccc(-c3ccccc3)c21 962659115 DTBRQCZSRKSRHC-DFBJGRDBSA-N 356.513 5.574 0 1 FKAF Fc1cccc(CC[C@@]2(C3CC3)c3c(F)cccc3C[C@@H]3CCCN32)c1 963104762 IIHAUMCJBVCUKS-NZQKXSOJSA-N 353.456 5.223 0 1 FKAF CCCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356677768 YDLVZJHEMPUSFL-ONTJHDAXSA-N 358.610 6.753 0 1 FKAF CON(C)CCCCCCCCCCCCCCCC1=CN(C)CC=C1 2356782053 COFVDVMMPQHFAB-UHFFFAOYSA-N 364.618 6.327 0 1 FKAF CC(C)[C@H](C)NC(=O)c1c(C(C)(C)C)noc1-c1c(F)cccc1Cl 777244 NMYMWRQKMNVWJL-NSHDSACASA-N 366.864 5.206 0 1 FKAF O=C(CCCCCC(=O)c1ncco1)Nc1cccc(-c2ccccc2)c1 13587167 YKWKHNSOMIQPNY-UHFFFAOYSA-N 362.429 5.114 0 1 FKAF CCCc1c(OCCCCCCCCCC(=O)O)ccc(C(C)=O)c1O 27740339 OIZWAKAFFAKKAH-UHFFFAOYSA-N 364.482 5.132 0 1 FKAF CCCC[C@H]1CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]1N 28821799 OTPNVPYDTCYPTA-NHYWBVRUSA-N 368.365 5.068 0 1 FKAF Cc1cc(-c2ccc(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@H]2C 29043417 KXMVPYRKURWIPA-GFCCVEGCSA-N 356.872 6.634 0 1 FKAF CCN(CC)CCCOc1ccc(/C=C/c2nc3ccccc3o2)cc1 29476113 BMDILYYKAXZJNF-NTCAYCPXSA-N 350.462 5.109 0 1 FKAF Fc1ccc(SCCCN2CCC(c3ccc(Cl)cc3)CC2)cc1 73239714 CXHLKGHIDPMPHM-UHFFFAOYSA-N 363.929 5.841 0 1 FKAF O=C1c2ccccc2N[C@H](c2ccc(-c3ccco3)s2)N1c1ccccc1 95584529 NLBWQKSEAYYXPO-NRFANRHFSA-N 372.449 5.779 0 1 FKAF CC(=O)c1cc(-c2ccccc2CO)c2cc(Oc3ccccc3)ccn12 95920942 AHWAKNWAECVAHU-UHFFFAOYSA-N 357.409 5.094 0 1 FKAF in-vitro CN(C)C(=O)O[C@H](c1cnccc1C(F)(F)F)c1cccc2ccccc12 103198756 INABRMVVKWVYMD-SFHVURJKSA-N 374.362 5.041 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@H]2c1ccc(=O)oc1 263638935 YBPMPRDOWHIVNA-JVQYHYCXSA-N 354.534 6.156 0 1 FKAF Cc1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 587015911 YBCUXYPFAXHKGV-UHFFFAOYSA-N 360.269 5.969 0 1 FKAF Fc1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1Br 587023658 OBMZLJNUGGKZNA-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)cc2C1 587033767 MKNBVWPNXBACGA-SECBINFHSA-N 352.381 5.315 0 1 FKAF COc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587048033 FNIPUAOBXYBMAY-RKDXNWHRSA-N 367.663 5.803 0 1 FKAF Cc1c[nH]c2c1-c1nc3c(C)ccc4c3c(c1CC2)-c1ccccc1C4=O 587097114 PQSPQQODNCLCKP-UHFFFAOYSA-N 350.421 5.157 0 1 FKAF Cc1ccc2c3c(cc(CSc4ccccc4)nc13)-c1ccccc1C2=O 587101369 FSQCZGAYZFOEPG-UHFFFAOYSA-N 367.473 6.047 0 1 FKAF Cc1ccc2c(ccc3nc([C@@H](C)Cc4cccc(C(F)(F)F)c4)[nH]c32)n1 587114029 QCELKRWFQBGELO-LBPRGKRZSA-N 369.390 5.785 0 1 FKAF FC(F)(F)c1cc2nc(C3(F)CCCCC3)[nH]c2cc1Br 587131522 LYAVWVLOQOFVJW-UHFFFAOYSA-N 365.168 5.473 0 1 FKAF CC(C)(C)c1cccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 587132547 CYKBATQIMLNMHJ-UHFFFAOYSA-N 365.235 5.537 0 1 FKAF c1ccc(CN(Cc2nc3ccc4ncccc4c3[nH]2)c2ccccc2)cc1 587195991 MEYRMVAIDHRZLM-UHFFFAOYSA-N 364.452 5.318 0 1 FKAF Cc1c(Cl)ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587204819 LZXKQDDPGBWOMH-CQSZACIVSA-N 365.905 5.007 0 1 FKAF CCC[C@H](C)[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351729 GYKBFRPVQIWEHS-PRPYNDMISA-N 356.437 5.475 0 1 FKAF CC[C@]1([C@H]2CC2(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354163 NHTXDYHPGIKKRH-NNMXDRDESA-N 354.421 5.085 0 1 FKAF CC[C@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587403557 OJDMFGUITKICDD-XMMPIXPASA-N 373.452 5.640 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(C4CCCCC4)s1)[C@@H](C2)C3=O 587450320 JHEVRCXNTBDESP-YCRPNKLZSA-N 354.471 5.293 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(O)cc3)cc1)CC2=O 587486216 XFJFOXRZDZQXDK-QHCPKHFHSA-N 374.436 5.424 0 1 FKAF CC[C@@]1(c2c(F)ccc(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505205 LSKPNZGADBHKSU-NRFANRHFSA-N 360.375 5.253 0 1 FKAF CCc1ccccc1-n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513788 UNIMOSFHIRPUNI-DEOSSOPVSA-N 371.480 5.625 0 1 FKAF O=Cc1cc2sc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2s1 587538648 QVMDJFUQMKEQGO-MRXNPFEDSA-N 368.479 5.361 0 1 FKAF Cc1cccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C)cc(Cl)cc23)c1 587624289 JYZGPTCPBOZXMJ-UHFFFAOYSA-N 351.755 5.688 0 1 FKAF CC(C)(C)OC(=O)NCCc1c(-c2ccccc2)[nH]c2cccc(F)c12 587635715 PQZZUXVSWUGGMV-UHFFFAOYSA-N 354.425 5.041 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(=O)C(F)(F)F)c2c1 587641587 MXOYSSOGTJQHJM-LLVKDONJSA-N 363.354 6.233 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(-c4ccccc4F)cc3)c(C)c2c1 587643979 ZXVGMVJRJSJURJ-MRXNPFEDSA-N 357.472 7.463 0 1 FKAF Cc1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587699063 RIFZPMXEZLAXNE-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF Cc1cccc2c1c([C@@H]1NCCc3cc(-c4ccccc4)ccc31)cn2C 962667857 WHUYCMYPCIFSBI-RUZDIDTESA-N 352.481 5.389 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(C(F)(F)F)cc2)N1 962949277 LDUIVCMPEVKRJU-QRWLVFNGSA-N 358.407 5.375 0 1 FKAF CCOC(=O)c1c(-c2ccccc2Cl)oc2c1cc(O)c1ccccc12 1857655021 ZWRAVFSJTCAQMI-UHFFFAOYSA-N 366.800 5.789 0 1 FKAF CC(=O)OC(C)(C)CCC[C@H](C)CCC[C@H](C)C[C@H]1CC(C)=CC(=O)O1 2356636030 SKZOHFSPGLBGJP-UWVAXJGDSA-N 366.542 5.593 0 1 FKAF O[C@H](C[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1660727 TVYRTICGBVJCSU-NHCUHLMSSA-N 357.280 6.249 0 1 FKAF CC(=O)Oc1ccc2c(c1)C[C@]1(C)[C@@H](C)CC[C@H]3C(C)(C)CCC[C@]31O2 13374387 MQRRSNNZKRHXGT-QMEZDXFZSA-N 356.506 5.548 0 1 FKAF CCCc1c(O[C@@H](C(=O)O)c2ccccc2)c(Cl)cc2c(CC)noc12 13539300 WMHHNFBHKPBUTJ-QGZVFWFLSA-N 373.836 5.201 0 1 FKAF NCCCCNCCCCN1CCCCCCCCCCCCCC1 13644756 RQTMTFXTYWIMMB-UHFFFAOYSA-N 353.639 5.092 0 1 FKAF FC(F)(F)c1cn2cccc(OCc3c(Cl)cccc3Cl)c2n1 13778300 GCLUMSJIBNPQNB-UHFFFAOYSA-N 361.150 5.239 0 1 FKAF C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCSCF)[C@H]1CCC2=O 14947089 PHQXDOFMEVPXKC-KJNZLNQQSA-N 362.510 5.038 0 1 FKAF CO/C=C(/C(=O)OC)c1ccccc1/C=C/C=C/c1ccc(Cl)cc1 27646604 GWZZIZWIURTVGR-SSJQSZGISA-N 354.833 5.227 0 1 FKAF NC[C@H](CCCCSc1ccc2ccccc2c1)c1ccc(F)cc1 27759458 MRNVQXQNKMJFNW-FQEVSTJZSA-N 353.506 5.984 0 1 FKAF CCC/C=C/CSC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28098059 QXBFRDGMYMBQMJ-WAKURUPISA-N 352.540 5.071 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(O)cc1 28758425 OBLCBGJMDNGCKU-UHFFFAOYSA-N 355.522 5.926 0 1 FKAF CCCCCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 28825629 UUHYJYZVUFBGMW-UHFFFAOYSA-N 366.214 5.716 0 1 FKAF CSc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F 66100822 ORLSEGKDKRDNES-UHFFFAOYSA-N 361.445 5.462 0 1 FKAF C=C(C(=O)O)[C@H](CCCCCCCCCCCCCCCC)C(=O)O 85836583 GFBJXFMJWQHQJC-IBGZPJMESA-N 354.531 6.199 0 1 FKAF biogenic CCCCC1CCC(c2nc3cc(Br)c(F)cc3[nH]2)CC1 93729218 VIKAKYNKXFYSKK-UHFFFAOYSA-N 353.279 5.929 0 1 FKAF Oc1ccc(-c2cc(-c3cccs3)nc(-c3ccccc3Cl)c2)cc1 95554110 QPIPZQFERLMQRO-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(C(F)(F)F)cc2[nH]1 586878529 JLXYRQUCKXZZFU-UHFFFAOYSA-N 352.359 6.224 0 1 FKAF Clc1cc(Br)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 586887941 VNZOGMKSCMQVKT-FZKQIMNGSA-N 373.681 5.350 0 1 FKAF CC1(C)COc2c(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cccc21 586911635 KDFSLKDLWGWIIM-UHFFFAOYSA-N 366.770 5.572 0 1 FKAF CCc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586974613 FLUJYGGFOQJKLU-UHFFFAOYSA-N 370.077 5.862 0 1 FKAF CCc1ccc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2c1 587021693 PEHJNDDXBJQBAS-UHFFFAOYSA-N 365.527 5.850 0 1 FKAF FC(F)(F)c1cc2nc(/C=C\c3ccsc3)[nH]c2cc1Br 587026724 WXVBQMYXBVVNHB-UPHRSURJSA-N 373.197 5.576 0 1 FKAF COc1cc(Cl)ccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587066903 VDHAHPOOCUAMGS-UHFFFAOYSA-N 372.049 5.308 0 1 FKAF COc1cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1Cl 587070766 WTJOLRDMIPFNDA-JTQLQIEISA-N 363.244 5.255 0 1 FKAF Clc1ccc(CN2CCC[C@H]2c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587076982 OOLSOHGOROCCHN-FQEVSTJZSA-N 365.908 5.432 0 1 FKAF Cc1ccc([C@H](C)c2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)o1 587102189 SYAAEFOIGQPFRE-OAHLLOKOSA-N 353.421 5.808 0 1 FKAF Cc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Cl 587125821 SIFDMIUNMPJHEC-DAXSKMNVSA-N 368.811 6.307 0 1 FKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cccnc4[nH]3)c2)c1 587140603 DLSBYIJZCGXYSX-UHFFFAOYSA-N 353.397 5.195 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1F 587150805 FLQQJUGVKXWLGV-DLBZAZTESA-N 362.379 5.905 0 1 FKAF CC(C)Oc1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587159313 XQWFSEQKNLRNBG-UHFFFAOYSA-N 374.415 5.636 0 1 FKAF O=C(c1sc2cc3c(cc2c1Cl)OCO3)c1coc2ccccc12 587281131 XKAZLADLEXOYMS-UHFFFAOYSA-N 356.786 5.261 0 1 FKAF CCc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)o1 587367147 UAXPNRAKWBHWIN-UHFFFAOYSA-N 369.420 6.479 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc(Cl)c(Cl)c1)O2 587372973 CEYFLWKXRSCWAK-LJQANCHMSA-N 364.272 5.241 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ncc3ccccc13)CC2=O 587462558 RCCHAYVUGJQOBF-GOSISDBHSA-N 367.832 5.253 0 1 FKAF CCCC[C@@H]1Cc2ccccc2[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 587481426 MABJZMACINNDLU-MZNJEOGPSA-N 364.485 5.568 0 1 FKAF CC[C@@]1(c2ccc([C@H](C)OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526745 ZRQQBJJGLJSUMD-FYSMJZIKSA-N 364.485 5.544 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3)[nH]c12 587623912 AIDRKPDBTUPVIY-UHFFFAOYSA-N 370.254 7.256 0 1 FKAF CC/C(C)=C(\N)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625711 MLULPVIKNFAUGY-AUWJEWJLSA-N 350.306 5.614 0 1 FKAF CC/C(C)=C(/N)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625712 MLULPVIKNFAUGY-VGOFMYFVSA-N 350.306 5.614 0 1 FKAF CC(C)c1[nH]c2ccc(F)c(Cl)c2c1-c1ccccc1Br 587629026 YINNQTZQFBXSJK-UHFFFAOYSA-N 366.661 6.513 0 1 FKAF CCCOc1cccc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587778078 GURXSFDCOIVREL-UHFFFAOYSA-N 352.331 5.100 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2CCCC3)N1 587822297 JSIGTNYTIAAPFX-YUNKPMOVSA-N 374.297 5.091 0 1 FKAF CC(C)(C)Sc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 587920851 OSQCVTFMNGSQGC-UHFFFAOYSA-N 359.947 7.021 0 1 FKAF Clc1ccc2[nH]nc([C@@H]3c4ccsc4CCN3Cc3ccco3)c2c1 962712815 WCDXVELQQGIZRG-IBGZPJMESA-N 369.877 5.019 0 1 FKAF CC[C@]1(c2cc(Cl)cc(Cl)c2)N[C@@H]2CC[C@H]2c2ccc(OC)cc21 962991839 FPZNXDKPEAZCDT-DFQSSKMNSA-N 362.300 5.505 0 1 FKAF Cc1sc2c(c1C)CCN[C@@H]2c1ccnc(-c2ccc(Cl)cc2)c1 963008836 KDMVHPLKOPQZQW-LJQANCHMSA-N 354.906 5.315 0 1 FKAF Cc1cc(C)c(C)c([C@]2(C)c3cccc(Br)c3CCN2C)c1C 963270186 NZLAZVRRLNMYPH-NRFANRHFSA-N 372.350 5.434 0 1 FKAF O=C(Nc1cc(O)cc(Cc2ccccc2)c1)c1ccc(C(F)(F)F)cc1 1857652960 DOXHFUNBHBTGLP-UHFFFAOYSA-N 371.358 5.254 0 1 FKAF Oc1ncc(C23CC4CC(CC(C4)C2)C3)cc1C12CC3CC(CC(C3)C1)C2 1857769945 FWBJNTSAEVQHOI-UHFFFAOYSA-N 363.545 5.723 0 1 FKAF CCCCc1c(-c2cccc(OC)c2)ncn1CCc1ccccc1OC 95565658 OTEMGLQPVZVVQD-UHFFFAOYSA-N 364.489 5.153 0 3 FKAF Cc1cc(Oc2cccnc2)ccc1NC(=O)Cc1c(C)[nH]c2ccccc12 199264045 STIZTVBOFQMMFW-UHFFFAOYSA-N 371.440 5.153 0 3 FKAF CC(C)=CCC[C@]1(C)CCc2c(cc(O)c(C(=O)c3ccccc3)c2O)O1 13376317 HNILUNOZWDAQPO-HSZRJFAPSA-N 366.457 5.159 0 1 FKAF biogenic CCCC1(CCC)CC(=O)[C@@H]([C@@H](c2ccccc2)C2CCCC2)C(=O)O1 18043049 IKFCQUBSBRPKID-SFTDATJTSA-N 356.506 5.432 0 1 FKAF CC(=O)Nc1cc(-c2nc3ccccc3o2)cc(-c2cccc3[nH]ccc23)c1 34603144 DNYXYWMPEYVJEP-UHFFFAOYSA-N 367.408 5.602 0 1 FKAF Fc1cccc(-c2nc3ccccc3c3oc(NCc4ccccc4)nc23)c1 49525643 ZECIKXZUSNCJDM-UHFFFAOYSA-N 369.399 5.794 0 1 FKAF CC(C)(C)c1ccc(CNCc2coc(-c3cccc4ccccc34)n2)cc1 72100798 LHHQUJDFOIYOQE-UHFFFAOYSA-N 370.496 6.082 0 1 FKAF CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(C(F)(F)F)cc1 95586441 XYELXKSBQQIQHZ-PXNMLYILSA-N 362.322 5.647 0 1 FKAF CCCC[C@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(C)[C@H](O)C3)CCC[C@@]21C 96142494 MGADROAPTBMHLU-JAQKBOIQSA-N 374.609 6.034 0 1 FKAF C[C@@H](N=O)c1cccc(C(C)(C)NC(=O)Nc2ccc3ccccc3c2)c1 169728269 UBMMYVRXOOUOJB-OAHLLOKOSA-N 361.445 5.724 0 1 FKAF C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2cccc(Cl)c2)n(-c2ccccc2)n1 204750040 RNOWZFOOKJOJKE-CXAGYDPISA-N 366.852 5.293 0 1 FKAF 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]2C=C1 254135321 ZKTFUNZCYRUILZ-PMSHULSDSA-N 368.609 5.072 0 1 FKAF c1cc2c(cc1Nc1nc(C3C4CC5CC(C4)CC3C5)cs1)OCO2 299821290 JRYPBXQCYPMFEY-UHFFFAOYSA-N 354.475 5.155 0 1 FKAF c1nc(Nc2ccc(-c3cnco3)cc2)c2cc(-c3cncs3)ccc2n1 299851677 IDGSKYUWGRYWPT-UHFFFAOYSA-N 371.425 5.152 0 1 FKAF c1ccc(Sc2ccc3nc([C@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586892696 VOGRINJVFJSZJW-UDNQCKOASA-N 360.526 6.182 0 1 FKAF COc1ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(C(F)(F)F)c1 587098092 QXXVUUOBWABEJZ-UHFFFAOYSA-N 362.685 5.189 0 1 FKAF COc1c(C)cc(C)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107082 NSZFEMFUIPUHPN-UHFFFAOYSA-N 365.432 5.739 0 1 FKAF COc1cc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c2cn1 587145503 LUSSMJWIQCSUHR-UHFFFAOYSA-N 367.811 5.401 0 1 FKAF Fc1ccc(/C=C(/c2nc3ccnc(Cl)c3[nH]2)c2cccs2)cc1 587162957 DMLIKGWOAPDENN-JLHYYAGUSA-N 355.825 5.401 0 1 FKAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587167960 BEGNULGHAYCSLW-QMMMGPOBSA-N 358.722 5.514 0 1 FKAF CCCCn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587515948 PQVIEBLHEQWOCH-QFIPXVFZSA-N 374.484 5.422 0 1 FKAF COc1cccc(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 587627857 KOHAUSQZPWGJCP-UHFFFAOYSA-N 374.284 5.585 0 1 FKAF Cc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2ccc(F)c(Cl)c12 587629095 UDFOPTBYOXRKNZ-UHFFFAOYSA-N 351.208 5.483 0 1 FKAF Cc1c(-c2ccc(Cl)c(Br)c2)[nH]c2c(C(=O)O)cccc12 587636795 JBXQFVIEXWCXJI-UHFFFAOYSA-N 364.626 5.257 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2n1 587782199 ILBKPRFLGNZTIH-UHFFFAOYSA-N 373.456 5.207 0 1 FKAF O=C(O)c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783770 HEEQRVPMUBLOIG-JYRVWZFOSA-N 370.408 5.011 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C2CC2)N1 587817250 AUHISZTXKLVBHC-NSPYISDASA-N 360.270 5.089 0 1 FKAF CC(C)C[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587819622 VYTYBGIUARGIKG-NJSLBKSFSA-N 368.334 5.554 0 1 FKAF C/C(=C\c1nc2cccc(I)c2[nH]1)C1CCCCC1 587967088 GXNLFYPEWNLIAR-ZHACJKMWSA-N 366.246 5.151 0 1 FKAF CN1CCc2c(Br)cccc2[C@H]1CCCCOc1ccccc1 963289297 LXIGQFDFCKCFGH-HXUWFJFHSA-N 374.322 5.227 0 1 FKAF CC[C@]1(c2ccc3ccccc3c2)Oc2ccccc2-n2cccc2C1=O 5549383 KWSFGTUDMGWHIP-XMMPIXPASA-N 353.421 5.511 0 1 FKAF O=C(O)COc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 13727302 YBCBPEIHPQDCKP-UHFFFAOYSA-N 371.392 5.139 0 1 FKAF CCCCCCC(=O)CCCCCCCCCCC(=O)N1CCCCC1 14619889 YTGCTUPAVSDGRB-UHFFFAOYSA-N 365.602 6.439 0 1 FKAF biogenic CCCCC[C@H](O)/C=C/C=C/C/C=C\C/C=C/CCCCCC(=O)OC 26578456 HRMXTCJALNSXBX-VRDQPAOZSA-N 362.554 6.056 0 1 FKAF CC(C)COC(=O)[C@@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27556249 VWCLCSNGYMXSLD-USXIJHARSA-N 360.519 5.084 0 1 FKAF Cc1ccccc1-c1nn(-c2c(Cl)cc(Cl)cc2Cl)c(=N)s1 29468445 PZWNAIVWPPLMEG-UHFFFAOYSA-N 370.692 5.349 0 1 FKAF Cc1cccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)c1 40405971 SKYUNLNJZAVDGI-UHFFFAOYSA-N 365.433 5.717 0 1 FKAF COc1ccc2c(c1)O[C@@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)C2=O 49808244 XCTQFDUXJBEYQJ-IRLDBZIGSA-N 364.828 5.449 0 1 FKAF COc1cc(/C=C/C=C/C=C/C=C/c2sccc2Cl)oc(=O)c1C 64503923 IYTZLIMRPGWPSX-MIIZMDLZSA-N 360.862 5.511 0 1 FKAF Cc1ccc(C)c(C(=O)CCCN2CCC(c3ccc(Cl)cc3)CC2)c1 64540488 PZBBMWTZUNRBLR-UHFFFAOYSA-N 369.936 5.799 0 1 FKAF COc1cccc(COc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)c1 103189466 IBAIXNCBYZNWHQ-UHFFFAOYSA-N 374.362 5.058 0 1 FKAF CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 103261318 ATKVVQSYUASWHF-UHFFFAOYSA-N 366.848 5.090 0 1 FKAF c1ccc2ncc(Nc3nccc4c3CCN(CC3CCCCC3)C4)cc2c1 168636548 BGSYYDHQCSGCLX-UHFFFAOYSA-N 372.516 5.312 0 1 FKAF CO[C@@H]1CCC[C@H](c2cc(N)c3c(c2)OC(C)(C)C2=C3C[C@@H](C)CC2)C1 169323112 SDLGIEWKBSPTDG-YQQAZPJKSA-N 355.522 5.686 0 1 FKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C/c3ccsc3)nc2c1 587025728 NMUGKLVXIXTWGO-OWOJBTEDSA-N 362.298 5.832 0 1 FKAF FC(F)(F)c1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cn1 587077779 XTPCADSQTOIKKV-UHFFFAOYSA-N 351.759 5.100 0 1 FKAF Cc1c(Br)ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587084867 HXLLILQAEMJDHY-UHFFFAOYSA-N 372.653 5.502 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@H]1CCCC[C@H]41)-c1ccccc1C2=O 587101436 SVBARHQCYBWYFX-CVEARBPZSA-N 353.465 5.975 0 1 FKAF C[C@@]12Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)C=C1CCCC2=O 587207522 MJLUWKBLIXMSFV-RUZDIDTESA-N 365.432 5.145 0 1 FKAF CC1(C)Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)-c2ccccc21 587208791 ZHTQDRVTXNSKNC-UHFFFAOYSA-N 361.444 5.947 0 1 FKAF Cc1ccc(C)c2c1CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587208807 ZXUBDEWNJKTXBC-UHFFFAOYSA-N 361.444 5.829 0 1 FKAF CCCC[C@H](CC)COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587213177 YOZJAZFICBVFBT-SFHVURJKSA-N 359.513 6.596 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](N(C)C)C3)c1 587360973 SJIDYAUNHJLLOR-INIZCTEOSA-N 372.468 5.076 0 1 FKAF COc1cccc(-c2cc([C@@H]3CCCC3=O)nc3c2oc2ccccc23)c1 587367458 RBINLBBUHUDDEE-INIZCTEOSA-N 357.409 5.493 0 1 FKAF CCCCCC[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445049 HIRFEYGRWVLIKU-XXBNENTESA-N 350.458 5.309 0 1 FKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C(F)(F)F)c1 587510013 VLUHWPVELLKEOU-LJQANCHMSA-N 360.375 5.599 0 1 FKAF CC1(C)O[C@@H](c2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587530531 CWRKMWXKIPPUFQ-QPPBQGQZSA-N 362.469 5.210 0 1 FKAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl 587544129 LWPQUBFUDSLKKU-NQIIRXRSSA-N 366.800 5.057 0 1 FKAF CC(C)=CC[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601226 FTLYTSSPFSESAC-NZQKXSOJSA-N 364.441 5.249 0 1 FKAF Cc1cc(Cl)cc2c(Cc3ccccc3Cl)c(-c3ccccc3)[nH]c12 587623673 LQSLWKBZOSPOGK-UHFFFAOYSA-N 366.291 7.041 0 1 FKAF CCOC(=O)c1c(-c2cc(F)c(F)cc2F)[nH]c2cc(Cl)c(F)cc12 587628856 AVSQYRBTBURKQN-UHFFFAOYSA-N 371.717 5.221 0 1 FKAF CCc1c(-c2ccc(Br)cc2)[nH]c2ccc([C@@H](C)CC)cc12 587638229 DITWBLJAVGSPKV-ZDUSSCGKSA-N 356.307 6.673 0 1 FKAF CC(C)C[C@H](C)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815149 ZAKZITGBXFEONX-LXIYXOSZSA-N 356.323 5.410 0 1 FKAF CO[C@@H](C)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923101 OPUJNISJWDTBCD-LBPRGKRZSA-N 352.434 5.805 0 1 FKAF Cc1c(Cl)ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587950130 PQBODVJCWNMUMW-KAMYIIQDSA-N 360.844 6.487 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(F)c(Br)c2[nH]1 587952500 SHUVKWSBHMMJRW-MJVIPROJSA-N 369.278 5.511 0 1 FKAF C[C@]1(CC2CCCCCCCCCCC2)NCCc2c(C(=O)O)cccc21 963126029 VLKVSFMHDYPJRF-XMMPIXPASA-N 371.565 6.057 0 1 FKAF Cc1c(Br)cc([C@]2(C)CC[C@H]3C[C@]32C)c(O)c1Br 2356423242 RZKAMLNZFWGFSP-ULKVUYOBSA-N 374.116 5.303 0 1 FKAF COC(=O)[C@H](C)C=CC=C(C)CCC1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C 2356444095 KIYHLAKXAOIJFX-JLRUASKGSA-N 372.593 7.021 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC1=CC(=O)OC1 2356729829 NSOLOFCWLXZPAF-UHFFFAOYSA-N 370.577 7.396 0 1 FKAF CC(C)NC(=O)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 775342 JJGRHCLLCANZBH-UHFFFAOYSA-N 374.415 5.439 0 1 FKAF COc1ccc(C(=O)OCC2=CC[C@]3(C)CCC(C(C)C)=C3CC2)cc1 13432021 IVRWGDQRYNLFQO-HSZRJFAPSA-N 354.490 5.715 0 1 FKAF biogenic CC(C)C1CCN(CCCCCN2C(=O)c3cccc4cccc2c34)CC1 13531169 GHLZAQYVJNYCHN-UHFFFAOYSA-N 364.533 5.338 0 1 FKAF Cc1cc(C(=O)CCCCCC(=O)O)c(CCCc2ccccc2)s1 26947609 KAHZMUMWOABRNZ-UHFFFAOYSA-N 358.503 5.450 0 1 FKAF CN1C(=O)OC(C)(C)c2cc(Nc3ccc(Br)cc3)ccc21 28878568 PVFYZNUIVXQJMV-UHFFFAOYSA-N 361.239 5.014 0 1 FKAF CC1(C)C[C@H](NC(=S)Nc2cccc(Cl)c2)c2cc(F)ccc2O1 35814370 KBMWBCPCHKPQJT-HNNXBMFYSA-N 364.873 5.068 0 1 FKAF CC(C)c1ccccc1Sc1c(O)cc(-c2ccccc2Cl)oc1=O 36124581 YXWCXRVLEUDATR-UHFFFAOYSA-N 372.873 5.940 0 1 FKAF Cc1ccc(-c2ccc(C(=O)N3CCc4c([nH]c5ccccc45)C3)cc2)cc1 40866390 ZRJLBJNURFECFO-UHFFFAOYSA-N 366.464 5.342 0 1 FKAF CCc1nc(NC(CC)CC)c(OC)nc1-c1ccc(Cl)cc1Cl 72177363 PZLAKBFDXDARMB-UHFFFAOYSA-N 368.308 5.622 0 1 FKAF O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ncsc12 167795803 XERSFKNHUUYVIS-UHFFFAOYSA-N 373.796 5.079 0 1 FKAF COc1cccc(-c2ccc(C(=S)N(C)c3cccc(OC)c3)s2)c1 169351581 KRDZRLXZDSHIGM-UHFFFAOYSA-N 369.511 5.244 0 1 FKAF COc1cccc(-c2ccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c(Cl)c2)c1 587052369 QHCZPFFIIVKGIP-UHFFFAOYSA-N 374.831 5.435 0 1 FKAF CCCc1c(-c2ccc(O)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587206335 IIIOSWFAQDPNJE-UHFFFAOYSA-N 365.432 5.771 0 1 FKAF O=C(O)c1ccc(-c2ccccc2-c2cc3c4c(cccc4n2)CC3)cc1F 587210215 KBIZQWLPUAEUMT-UHFFFAOYSA-N 369.395 5.505 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2)cc1 587241931 FWDLEWXVXKEKGK-UHFFFAOYSA-N 370.334 5.093 0 1 FKAF O=C1C[C@H](c2ccccc2CCCCF)Oc2c1ccc1c2CCCC1 587507188 OXHUPQWHGPXFPZ-JOCHJYFZSA-N 352.449 5.564 0 1 FKAF O=C1C[C@H](c2cccc(-c3cccs3)n2)Oc2c1ccc1c2CCCC1 587530091 CRIAMXPLYLVRAE-HXUWFJFHSA-N 361.466 5.395 0 1 FKAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccc(F)cc2)cc1 587630558 LDQXYLNPGIROMF-UHFFFAOYSA-N 369.798 6.442 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cl)c2F)N1 587727576 OIJLEKHXCBEGLD-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF CC(C)CC[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587818897 GFLUPRPFACEYJG-ZUEVXXBESA-N 368.334 5.554 0 1 FKAF CC[C@H](C)[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823395 PRUTWCKPYNAAFS-QPWUGHHJSA-N 368.334 5.554 0 1 FKAF Cc1c(Cl)cccc1NC(=S)n1nc2cc1Oc1ccc(F)cc1-2 587876166 LYEGLSXFOQAQOC-UHFFFAOYSA-N 359.813 5.002 0 1 FKAF COc1cccc(C2(c3nc4ccc(OC(C)C)cc4[nH]3)CCCC2)c1 587932451 FMDQFHNZFLCOHI-UHFFFAOYSA-N 350.462 5.219 0 1 FKAF C=C1OC(=O)C(CCCCCCC=CCC=CCC=CCCO)=C1OC 2356495381 QFJHTSVAVAZSBZ-UHFFFAOYSA-N 360.494 5.129 0 1 FKAF C[C@@H](O)CCCCCCC=CCCCCCCCc1cc(O)cc(O)c1 2356804991 ZNDCVGFPLZIRER-HXUWFJFHSA-N 362.554 6.259 0 1 FKAF CC[P@@](=O)(OC)c1ccc2nc(-c3ccccc3C(F)F)oc2c1 2382247572 CVTHJHJGRMFKLE-XMMPIXPASA-N 351.289 5.002 0 1 FKAF CC[P@](=O)(OC)c1ccc2oc(-c3ccc(F)cc3C(F)F)nc2c1 2382254961 JGKUQHWBZKYFRA-VWLOTQADSA-N 369.279 5.141 0 1 FKAF c1ccc2c(CNCCCCNCc3cccc4ccccc34)cccc2c1 2009822 HUTFIRDOUMNKCG-UHFFFAOYSA-N 368.524 5.653 0 1 FKAF O=C(O)/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1 13814789 LQHOAIOYGSEKNV-QHHAFSJGSA-N 359.661 5.896 0 1 FKAF c1ccc2c(c1)CCC[C@@H]2CCCCCN1CCN(C2CCCCC2)CC1 22931123 GWBVIQHDYZTFCX-QFIPXVFZSA-N 368.609 5.617 0 1 FKAF CC(C)Cc1ccc([C@H](C)c2n[nH]c(Nc3cccc(Cl)c3)n2)cc1 28654538 IQIKWQAZJWXBPT-AWEZNQCLSA-N 354.885 5.552 0 1 FKAF Cc1ccccc1-n1c(Nc2nc(-c3ccccc3)cs2)n[nH]c1=S 49112324 OYFYEDOOXIBQPI-UHFFFAOYSA-N 365.487 5.105 0 1 FKAF CSc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2ccccc2)cc1 49113089 WTUPPCHNDFCPDL-QHCPKHFHSA-N 358.510 6.073 0 1 FKAF CC(C)CN(C)c1ncc(-c2nc3ccccc3s2)c(-c2ccco2)n1 82165461 IXZGAIPZUXNXBH-UHFFFAOYSA-N 364.474 5.106 0 1 FKAF CSc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1 84603169 DWSIPCNOFQEYRR-UHFFFAOYSA-N 365.567 5.392 0 1 FKAF Oc1cccc(-c2cc(-c3ccncc3)nc(-c3ccccc3Cl)c2)c1 95552259 HZHOHRKRHRKAQP-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(OCc2ccccc2C)nn1 103189449 KIOSLLNDXWQSJQ-UHFFFAOYSA-N 358.363 5.358 0 1 FKAF O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1nc2ccccc2s1 103219798 QIOGENTZQIZTLO-UHFFFAOYSA-N 361.426 5.733 0 1 FKAF CC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1 113766017 UCVARKUGUAIURB-OAHLLOKOSA-N 350.487 5.314 0 1 FKAF Clc1cc(Cl)c2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2c1 587054620 PDSCYUXCFYYJAV-PLNGDYQASA-N 358.055 6.347 0 1 FKAF Cc1ccc([C@@H]2Cc3nc4c(C)ccc5c4c(c32)-c2ccccc2C5=O)cc1 587100411 JFZAGQGYQIIOKS-FQEVSTJZSA-N 361.444 5.751 0 1 FKAF Fc1ccc(/C=C(/c2nc3cc(Cl)ncc3[nH]2)c2cccs2)cc1 587164263 OYULHQHLSYRTKR-MDWZMJQESA-N 355.825 5.401 0 1 FKAF O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)c1coc2ccccc12 587280888 GXDFNMSZEOJOBL-UHFFFAOYSA-N 358.180 5.626 0 1 FKAF CCC[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352457 JHJWLVAHNUYZNE-UPKQVVFYSA-N 354.421 5.229 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc(F)cc3)cc1)O2 587384335 KCBAMQZPMOSZOG-OAQYLSRUSA-N 363.388 5.215 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC3CCCC3)c1)CC2=O 587488722 LOERNLBOEKZLDW-JOCHJYFZSA-N 366.457 5.373 0 1 FKAF CC(C)Oc1ccc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498685 FSMHEMIMOLYPIV-NRFANRHFSA-N 370.876 5.713 0 1 FKAF CCc1cc(CC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(CC)c1 587524724 MMKFTZZSNQENMG-HSZRJFAPSA-N 362.513 5.959 0 1 FKAF C[C@@H](CC1CCCCC1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820013 NQIUDEHVMUWAJY-QUJCMNEKSA-N 368.334 5.770 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(OC4CCC4)cc3)n2)cc1 587924627 GMQPEBPJSVDJIK-UHFFFAOYSA-N 353.512 6.130 0 1 FKAF O=C(c1cc(O)c(-c2cc(Cl)ccc2Cl)c(O)c1)c1cccs1 2382216717 WCVWIQCOIVCBIX-UHFFFAOYSA-N 365.237 5.364 0 1 FKAF C[C@H](c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)Nc1ccccc1S2 2382222459 QIYAVKNPVJPYDU-GFCCVEGCSA-N 372.320 7.353 0 1 FKAF CCC1(CC)CC(c2ccc(F)cc2)=C(c2ccc(S(C)(=O)=O)cc2)C1 13739718 WVOYZEONSBZBRS-UHFFFAOYSA-N 372.505 5.740 0 1 FKAF Cc1ccc(Cl)cc1NC(=S)N/N=C\c1cccc2ccccc12 15924267 GPHKEFTVUJXMFE-MTJSOVHGSA-N 353.878 5.122 0 1 FKAF CCCCCc1cc(O)c2c(c1)O[C@@](C)(CNCC)[C@@H]1CC=C(C)C[C@@H]21 29240302 QJMMJXMZDSBPMX-PWHSHALESA-N 357.538 5.325 0 1 FKAF COc1cccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)c1 35259951 JEYHVMNCHCSLCT-UHFFFAOYSA-N 363.457 5.726 0 1 FKAF CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)OCCC3 43022887 ARWPWQWERJBZLQ-UHFFFAOYSA-N 367.832 5.057 0 1 FKAF CCCCCCSc1cc(Cl)c(C(=O)CCN2C[C@@H]2C)c(Cl)c1 43072586 ITMOHGDZMKMQRY-JRTLGTJJSA-N 374.377 5.943 0 1 FKAF CCCO[C@H](c1ccccc1Cl)[C@@H](SC(C)(C)C)n1cnc(C)c1 45366947 ZQMAZVIVIYATFX-QZTJIDSGSA-N 366.958 6.043 0 1 FKAF Cc1ccc2cc(-c3n[nH]c4cc(NC(=O)C5CCCCC5)ccc34)[nH]c2c1 66075786 OXYQYPAUFLWFAB-UHFFFAOYSA-N 372.472 5.538 0 1 FKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C2(C(F)(F)F)CC2)cc1 96929155 IIICFIDURUZIMJ-UHFFFAOYSA-N 373.296 5.552 0 1 FKAF C[C@]1(O)C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247468 CQJGCQVQOOMFHY-VHQJYJOSSA-N 351.465 5.478 0 1 FKAF Cc1ccc(C2=NO[C@@H](c3c[nH]c4ccccc34)[C@@H]2CN2CCCCC2)cc1 103289248 MHYREROENGKCHO-QPPBQGQZSA-N 373.500 5.054 0 1 FKAF CC1(C)CC2=Nc3ccccc3N[C@@H](c3cc(F)ccc3F)C2=C(O)C1 104106656 UWRKZPQJNRODMT-FQEVSTJZSA-N 354.400 5.836 0 1 FKAF O=C(c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1)c1cccs1 115496183 VZWMBDKHGZWTBJ-UHFFFAOYSA-N 365.237 5.364 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CC[C@@H](C)C(=O)NCCF 231934521 HMMNZALKMVCHHZ-KYQFPDQKSA-N 363.561 6.464 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)cc3O)nc3ccc(O)c1c23 586986304 QPTIHMSTRPTZRK-UHFFFAOYSA-N 373.795 5.178 0 1 FKAF Brc1ccc(-c2ccc(/C=C/c3nc4ccccc4[nH]3)o2)cc1 586998733 OZGULXJFIVZHPZ-ZRDIBKRKSA-N 365.230 5.756 0 1 FKAF Cc1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cc1F 587047094 AWRFCEIEZBLNOX-UHFFFAOYSA-N 371.242 6.651 0 1 FKAF COc1cc(OC)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587049528 MLEBXTSEWLITBJ-GHMZBOCLSA-N 363.244 5.158 0 1 FKAF COc1cccc(-c2ccc(-c3nc4cc(F)c(F)cc4[nH]3)c(Cl)c2)c1 587052328 OCUZEKIZRUTCTF-UHFFFAOYSA-N 370.786 5.837 0 1 FKAF CCCCC[C@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099490 KVSDQCBOTYTOKN-QGZVFWFLSA-N 371.480 6.008 0 1 FKAF FC(F)(F)Sc1ccc(/C=C/c2nc3cncc(Cl)c3[nH]2)cc1 587124128 INLNLWDGIAUCQL-ZZXKWVIFSA-N 355.772 5.394 0 1 FKAF Fc1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587152805 RCXNZPKAVYIGDW-ZJUUUORDSA-N 367.168 5.014 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587170276 MWPKSMAYIXQAAX-MRVPVSSYSA-N 356.253 5.300 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CCCN2CC3)c1 587362752 JSLLJAUMGBJUOA-LJQANCHMSA-N 370.452 5.350 0 1 FKAF COc1cccc(-c2cc(-c3ccnn3C)nc3c2oc2ccccc23)c1 587363353 MEENFJFTMRTFDW-UHFFFAOYSA-N 355.397 5.057 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)sc(Cl)c1Cl)O2 587408417 BMIVTSXLFDEXEB-SECBINFHSA-N 362.665 5.305 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccncc1)CC2=O 587492845 XWLGKPBDVFQWBW-QFIPXVFZSA-N 359.425 5.113 0 1 FKAF CCC[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602561 JZNOKCMVJUSRQJ-XUZZJYLKSA-N 374.436 5.135 0 1 FKAF Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2N)cc1 587625234 CXKXWHSSLYSCSV-UHFFFAOYSA-N 358.285 5.763 0 1 FKAF COc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2ccc(F)c(Cl)c12 587628845 RVCQQEMMBMAQEP-UHFFFAOYSA-N 367.207 5.183 0 1 FKAF CCCOc1cccc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587778588 ODKKEJSDYFGGDP-UHFFFAOYSA-N 372.468 5.522 0 1 FKAF Cc1c(F)ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587783526 BWRNCUVSHJHSOX-NTEUORMPSA-N 358.416 5.760 0 1 FKAF CC(C)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813317 UQWRAXKJBRHRHU-KZULUSFZSA-N 356.323 5.410 0 1 FKAF CC(C)=CCC[C@@H](C)C[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820935 RJCSXVAHAWKDLS-JKIFEVAISA-N 368.334 5.936 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 587960258 XBOQUNVLARCFKU-UHFFFAOYSA-N 367.374 5.543 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCCc3cc(OC)ccc32)N1 962962643 YGGWOBQASOQSQY-XDHUDOTRSA-N 360.501 5.071 0 1 FKAF CC1=C2C[C@@]3(C[N@]4C[C@H]4CNC4CCCCC4)CC[C@@H](C)[C@@]2(CC1)C3(C)C 2356771372 WIMITFNNPJBCPT-BSEUSPRISA-N 370.625 5.536 0 1 FKAF CSCCCCCCCC[C@H](O)CCCCCCCSC(=N)O 2356780630 FSXYCDWKNLVVKW-KRWDZBQOSA-N 363.633 6.008 0 1 FKAF CN(Cc1ccc(Nc2ccccc2)cc1)Cc1cccc2ccccc12 5849914 ZTIMEBPQFOIXEO-UHFFFAOYSA-N 352.481 6.215 0 1 FKAF Cc1ccc2c(c1Cl)NC(=O)[C@@]2(c1ccc(O)cc1)C1CCCCCC1 43200750 ZDCIKWFLFNGSKC-JOCHJYFZSA-N 369.892 5.563 0 1 FKAF Cc1ccccc1N(CCCCCC1CCCCC1)c1ccc[n+](C)c1 66166942 LVZJPKRYZQTRQP-UHFFFAOYSA-N 351.558 6.098 0 1 FKAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1C[C@@H](F)CN1C(=O)C1CCC1 72176201 BPICUEHAJGKYLS-YLJYHZDGSA-N 372.871 5.122 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(C3CCCCC3)cc2)n1 72184614 GRSPWPYGFSVZKU-GOSISDBHSA-N 354.538 6.448 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1ccco1 147232748 CBZSGZRVUFWMHQ-IYRYOAFKSA-N 354.578 8.358 0 1 FKAF CC(C)CCC[C@@H](C)CCC[C@@H](C)/C=C\CC/C=C\CCCC(=O)O 169636534 GAAXOKKROCNDSI-PAFPWOIKSA-N 350.587 7.403 0 1 FKAF CC(C)=CCC/C(C)=C/COc1ccc(-c2cnc(-c3cccnc3)o2)cc1 207233513 SCOSSTFYVOJNFI-CPNJWEJPSA-N 374.484 6.475 0 1 FKAF CO[C@]1(C)CC[C@]2(C)[C@@H](OC(C)=O)C[C@]3(C)[C@@H](C(C)C)CC[C@H]3[C@@]23C[C@@H]13 238786868 WQESESDLEKDWLI-YQSHVWEHSA-N 362.554 5.222 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3O)cc(-c3cccc(O)c3)n2)cc1 299829988 NJHQVESPIOGYTG-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(S)cc21 299853016 DCXXSSIALADGCY-OAHLLOKOSA-N 356.560 5.452 0 1 FKAF FC(F)(F)c1ccc(CN2CCC(c3c[nH]c4ccccc34)CC2)cc1 473082317 HFXGOFNPTXOKHJ-UHFFFAOYSA-N 358.407 5.566 0 1 FKAF OCc1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12 473156038 SHEDZJNJLPJFNB-UHFFFAOYSA-N 362.300 5.502 0 1 FKAF Cc1cc(Cl)cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587050667 QNDNTPLQQVVISO-QWRGUYRKSA-N 351.664 6.103 0 1 FKAF Cc1c(Br)ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587097754 KBTPWUVRMFXMMH-UHFFFAOYSA-N 369.184 5.243 0 1 FKAF Cc1c(Br)ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587150391 DBQKGOPPYPGQJE-GHMZBOCLSA-N 363.205 5.183 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2)c1 587160098 GQAXVHPONFMBKD-UHFFFAOYSA-N 372.443 5.923 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587161400 NHWSPFLFZYDEFI-OALUTQOASA-N 356.400 5.204 0 1 FKAF CCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354584 NUNHLGHSRJDEQG-IFMALSPDSA-N 356.437 5.619 0 1 FKAF Cc1ccc(Cl)c2c1[C@@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587499649 MCONRQIGPJPOHG-JOCHJYFZSA-N 368.860 5.170 0 1 FKAF O=C1C[C@H](c2cccc(Oc3ccccn3)c2)Oc2c1ccc1c2CCCC1 587513310 CIBMDZPVQQGOJV-JOCHJYFZSA-N 371.436 5.459 0 1 FKAF CC[C@H](C)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587527084 UQRVFNJKSHOJQI-NPMXOYFQSA-N 364.485 5.794 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C3CCC3)c2)N1 587821603 WGQBPSYHVQMUST-FKIZINRSSA-N 374.297 5.479 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cnc5ccccc5c4[nH]3)ccc2c1 587934289 ITLQWPROLVLZON-CQSZACIVSA-N 353.425 5.425 0 1 FKAF CCCCCCOc1cc(Cl)c(C(=O)CC[N@]2C[C@H]2C)c(Cl)c1 1857605554 JAAIRJBWUHNPLG-LRTDBIEQSA-N 358.309 5.229 0 1 FKAF CCCC[C@@H]1[C@@H](C(=O)CC)[C@@H](c2ccccc2)CCN1C(=O)OC(C)(C)C 1857616496 NFEFTKKLHVHLBP-SBHAEUEKSA-N 373.537 5.565 0 1 FKAF CC(=CCO)CCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 2356690269 QVAALZYWZYXTTP-DHIUTWEWSA-N 364.658 8.091 0 1 FKAF CC(=Cc1c(C)c(O)cc2c1[nH]c1c(O)ccc(CO)c12)CCC(C)C 2356732806 YHWUJLWKUDNULF-UHFFFAOYSA-N 353.462 5.373 0 1 FKAF O=C(NC1CCCCC1)c1c(-c2ccccc2F)noc1-c1ccsc1 774992 AHGPAEMOFAJJAQ-UHFFFAOYSA-N 370.449 5.272 0 1 FKAF C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)cc(-c3cc4ccccc4o3)cc1OC2(C)C 14584450 HCVQRSCZRRQWTK-ZTFGCOKTSA-N 362.469 6.496 0 1 FKAF biogenic C[C@@H]1CCCCN1CCCn1c2ccccc2c2nc3ccccc3nc21 31848214 ICEFPWZZVBXBQS-QGZVFWFLSA-N 358.489 5.002 0 1 FKAF Fc1cccc(CNc2ncnc3ccc(-c4ccccc4Cl)cc23)c1 36380641 PCUFEAZRWQZSOW-UHFFFAOYSA-N 363.823 5.701 0 1 FKAF CCCCOC(=O)S[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233097 RXRWOMVSNVQYHQ-OAHLLOKOSA-N 373.305 5.601 0 1 FKAF O=C(c1ccc(-c2cccc(Cl)c2)cc1)N(CC1CC1)C[C@@H]1CCCO1 40914425 BYXAARAKDDDQLH-NRFANRHFSA-N 369.892 5.038 0 1 FKAF CCCn1c(C)c(C(=O)c2ccc(OC)c3ccccc23)c2ccccc21 43017423 KQDSWZCINCRXPV-UHFFFAOYSA-N 357.453 5.753 0 1 FKAF CCCCCc1cc2c(c(C(=O)N(C)C)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 45356518 SXSWRWFROSBTCV-UYAOXDASSA-N 369.549 5.732 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cnc(Cl)c1 45358610 DFLFRVZLMATTHR-CVEARBPZSA-N 373.349 5.998 0 1 FKAF O=C1Nc2ccc(Br)cc2/C1=C/c1ccc2cccccc1-2 64548347 XOYQROSFUKTOQG-YVLHZVERSA-N 350.215 5.047 0 1 FKAF Cc1ccc(C[C@@]2(/C=C/c3ccccc3)CCc3ccccc3[C@H]2O)cc1 71342082 GOQBRVPIIFWKRS-CRDUHYBCSA-N 354.493 5.917 0 1 FKAF COc1ccc([C@@]23Sc4ccccc4N=C2c2ccccc2C3=O)cc1 84723045 WPRUXSBBOYLJSQ-JOCHJYFZSA-N 357.434 5.014 0 1 FKAF CCCn1c(C)c(C(=O)c2ccc(Cl)c3ccccc23)c2ccccc21 95564357 ZCBYQTFHEPGBRZ-UHFFFAOYSA-N 361.872 6.397 0 1 FKAF Fc1ccc(/C=C2\CCC[C@H]3C2=NC(=S)N[C@H]3c2ccc(F)cc2)cc1 138728697 BANJUPPHKPNCDQ-WIGMZFAJSA-N 368.452 5.219 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CSCCO 149200094 FHPOZQMLTNNPRF-FLPKSHQQSA-N 350.612 6.858 0 1 FKAF Cc1ccc2c(c1)N[C@@H](c1ccccc1Cl)[C@H]1C(=O)CC(C)(C)CC1=N2 169722111 YSUCDOUMZGRCJO-RTWAWAEBSA-N 366.892 5.893 0 1 FKAF CCCCCCNC(=O)Oc1cccc(-c2ccc([C@H](C)CO)cc2F)c1 208238164 WGAHHJUZFSFTHU-MRXNPFEDSA-N 373.468 5.257 0 1 FKAF C[C@H]1CC(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C[C@H](C)C1 586991499 NPEBVUIXVDSSGG-ZIAGYGMSSA-N 357.453 5.692 0 1 FKAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Cl)c(Cl)cc2[nH]1 587027670 ZSURTWKEEXNZSO-UHFFFAOYSA-N 364.257 5.485 0 1 FKAF FC(F)(F)c1cccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587052209 YPQCVWQCQPZKAF-BDAKNGLRSA-N 371.189 6.160 0 1 FKAF Cc1ccc2c3c(cc([C@H](C)Oc4ccccc4)nc13)-c1ccccc1C2=O 587095968 DMPLGNAEHOFCQV-INIZCTEOSA-N 365.432 5.895 0 1 FKAF COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1F 587103196 HISBRLSUFHAZHF-UHFFFAOYSA-N 355.368 5.261 0 1 FKAF Cn1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(C(F)(F)F)c1 587115031 FATMGIMTRBMTJM-UHFFFAOYSA-N 371.362 5.166 0 1 FKAF FC(F)(F)Sc1ccc(/C=C\c2nc3ccnc(Cl)c3[nH]2)cc1 587126208 WCAZQBNHTOHLCM-UTCJRWHESA-N 355.772 5.394 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587156579 WREMXTAIDQCORB-AWEZNQCLSA-N 354.303 5.131 0 1 FKAF CCc1ccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2c1 587241261 RZRBLNFYGVNOCN-UHFFFAOYSA-N 356.473 5.735 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 587250930 SNTCNDQQCKRDED-UHFFFAOYSA-N 364.246 5.242 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1ccc(Cl)cc1)(C(C)(C)C)O2 587377446 ILBWEZCDBSKZLV-QFIPXVFZSA-N 371.908 5.614 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(OC(C)C)ccc3ccccc13)O2 587400298 MKMHTOWJSZYFOC-NRFANRHFSA-N 361.441 5.224 0 1 FKAF O=C1C[C@@](c2ccccc2)(c2ccc(F)cn2)Oc2c1ccc1c2CCCC1 587507358 MGLYYOZWNSPUOZ-XMMPIXPASA-N 373.427 5.009 0 1 FKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1ccc(F)cc12 587510799 WSVMCERCZQWGDR-VWLOTQADSA-N 370.423 5.594 0 1 FKAF CCO[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCCCC2 587523929 MIRHFHDBQDCWEV-NFBKMPQASA-N 354.490 5.029 0 1 FKAF O=C1C[C@]2(CCCc3[nH]c4ccccc4c32)Oc2c1ccc1c2CCCC1 587527760 WVZLHFXIIHNWNB-DEOSSOPVSA-N 357.453 5.244 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)Nc1ccccc1C(F)(F)F 587629553 BHVPZDTZFDLACF-UHFFFAOYSA-N 370.733 5.540 0 1 FKAF CCCCC(CCCC)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587820749 QRORWSAJBLCVSP-DJJJIMSYSA-N 370.350 6.160 0 1 FKAF CC1=C(C)C[C@](C)([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587821777 XOTCENPHHOUBBU-UPRAQXHNSA-N 366.318 5.690 0 1 FKAF CC[C@@]1(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587961198 QKYLUDULPAQTFL-IBGZPJMESA-N 374.271 5.033 0 1 FKAF COc1ccc2c(c1OC)[C@@H](c1ccccc1-c1ccccc1)N(C)[C@@H](C)C2 962631055 IYXDAQCJXPKPQK-BXKMTCNYSA-N 373.496 5.337 0 1 FKAF Cc1sc2c(c1C)CCN[C@@]2(c1ccc(C(F)(F)F)cc1)C1CCC1 963009271 KZAFVDNMUISXOW-LJQANCHMSA-N 365.464 5.573 0 1 FKAF C/C=C1/[C@H](O)C[C@H]2[C@@H]3CC[C@@H]4C[C@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772605307 RZHXZHWJIBCTAW-JMFKLXTESA-N 371.609 5.411 0 1 FKAF C[C@@H](Oc1cncc(-c2cn[nH]c2)c1)c1c(Cl)ccc(F)c1Cl 1857764800 DNOXSZYNGFBPLZ-SECBINFHSA-N 352.196 5.058 0 1 FKAF CN(C)c1ccc(Nc2ccccc2C(=O)O)c(-c2ccccc2)c1Cl 1911573645 AAQFDTXEZCHJPV-UHFFFAOYSA-N 366.848 5.515 0 1 FKAF Fc1ccc(-c2nc3c4ccccc4ccn3c2Cc2cccc(F)c2)cc1 199364207 KGERINQQHGBUEJ-UHFFFAOYSA-N 370.402 6.024 0 3 FKAF c1ccc(-c2c[nH]cc2[C@H](c2ccc(-n3cccc3)cc2)n2ccnc2)cc1 5939294 ASZIQEBRHUBKFZ-DEOSSOPVSA-N 364.452 5.307 0 1 FKAF O=C(NCc1ccc(Cl)c(Cl)c1)Nc1cccc2ccc(O)cc12 13589065 FVDRRMNYXKAFMY-UHFFFAOYSA-N 361.228 5.174 0 1 FKAF C[C@H](/C=C/C(=O)O)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820856 NNOXLBZOLJVTCY-DKFALFPQSA-N 372.549 5.203 0 1 FKAF CCO[C@H](c1ccccc1Cl)[C@H](SC(C)(C)C)n1cnc(C)c1 45393817 GMYJUCDCAUXRBZ-SJORKVTESA-N 352.931 5.653 0 1 FKAF CCC(CC)Nc1c2c(nc3c(-c4ccc(F)cc4C)c(C)nn13)CCC2 72113837 LFGLYBJFAWVWAJ-UHFFFAOYSA-N 366.484 5.241 0 1 FKAF Cc1ccc(-c2nc(N)c3cc(Cc4ccccc4Cl)sc3n2)o1 96907801 MYJRPHGICROETI-UHFFFAOYSA-N 355.850 5.086 0 1 FKAF CC1=C(CC(=O)O)c2ccc(Br)cc2/C1=C/c1ccsc1 100574564 ALAVELGECUJLKK-MKMNVTDBSA-N 361.260 5.313 0 1 FKAF Cc1ccc2cc([C@@H]3CC(c4ccc(Cl)s4)=NN3)c(Cl)nc2c1 103212275 GVAOFWPTUMEMSR-ZDUSSCGKSA-N 362.285 5.350 0 1 FKAF CC1=CCC[C@]2(C)CC[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H]12 238765156 HWWJRNPFZYGYNM-LCXKHFAGSA-N 352.518 6.040 0 1 FKAF CCn1c(-c2ccccc2/C=C/c2ccccc2)nc2ccccc2c1=O 299862784 NZLBMBZBPQVRQN-WUKNDPDISA-N 352.437 5.254 0 1 FKAF Cc1c(Br)cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1C 586883692 CZBLGDGXCSAUHX-QRWLVFNGSA-N 367.290 5.314 0 1 FKAF COc1cc2nc(CCCCCCCCCCCO)[nH]c2cc1Cl 586894528 KJMXQSZRCMMDOV-UHFFFAOYSA-N 352.906 5.271 0 1 FKAF Cc1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1C 586958550 GJQHSNDOVJFFQC-HHHXNRCGSA-N 374.509 5.218 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1cc(F)ccc1CC4)-c1ccccc1C2=O 586995106 IIRFAYVYRXDCMG-UHFFFAOYSA-N 365.407 5.659 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006333 KSXHFMCDBJAPHL-UHFFFAOYSA-N 368.278 5.543 0 1 FKAF COc1ccc2nc(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)sc2c1 587035342 PBGJBBIDHYEUAL-UHFFFAOYSA-N 367.327 5.006 0 1 FKAF COc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1Cl 587144814 BJEJOTZHTHMXIV-UHFFFAOYSA-N 366.823 5.622 0 1 FKAF O=C1c2ccccc2-c2cc(CSc3ccccc3)nc3cccc1c23 587208961 HPBODJCKPQUDHV-UHFFFAOYSA-N 353.446 5.739 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCC(C)C)CC2=O 587486187 YQUJXDPWHKNBKM-QFIPXVFZSA-N 368.473 5.476 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccsc3)c1)CC2=O 587496800 UZAGNTJXRNXWFX-NRFANRHFSA-N 364.466 5.780 0 1 FKAF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c2c(Cl)cccc12 587502120 TUDVPQNVAQLDKA-IBGZPJMESA-N 365.860 5.715 0 1 FKAF CC(C)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525877 VUYLNSYVNPXNDZ-QFIPXVFZSA-N 350.458 5.307 0 1 FKAF Cc1ccc2c(ccc3nc(COc4cccc(OCC(C)C)c4)[nH]c32)n1 587565686 IDVDLQSSKFTTNK-UHFFFAOYSA-N 361.445 5.033 0 1 FKAF COc1ccc(-c2[nH]c3cc(F)ccc3c2-c2ccc3ccccc3n2)cc1 587637131 VYXXUPUDBAKUEM-UHFFFAOYSA-N 368.411 6.198 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2Cl)N1 587727710 PBLVGXVLKWJZPK-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF C[C@@H](c1ccccc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812622 JVYCRPRQJXWGNA-NQCMUKECSA-N 362.286 5.141 0 1 FKAF CC[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587812874 LSBLLSXMSMJPEB-BFUOFWGJSA-N 362.286 5.084 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](c3ccccc3)C2)N1 587819651 WFVVCRBXSQNXIR-WAWZGNHOSA-N 374.297 5.285 0 1 FKAF COc1ccc(OC(C)(C)C)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587944048 XOTCNWZHYVEVMR-UHFFFAOYSA-N 357.400 5.608 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2c(Br)cnc(Cl)c2[nH]1 587955875 VPXNNBNKIULUGK-UHFFFAOYSA-N 364.674 5.008 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cccn1-c1ccc(F)cc1F 963224934 FAVVCZQCDZJQCP-QMHKHESXSA-N 366.455 5.502 0 1 FKAF CC[C@]1(c2ccc(C(C)C)cc2)c2cccc(Br)c2CCN1C 963269202 GANHJHVCCXQHGU-NRFANRHFSA-N 372.350 5.714 0 1 FKAF Fc1ccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c(F)c1 1772589158 LADIOTIOYRJDAV-UHFFFAOYSA-N 374.605 5.478 0 1 FKAF COC(=O)C[C@H](C)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=C[C@@H](OC)C[C@@H]21 2356397564 FBXQLGSYECWVHN-UASITTHNSA-N 350.543 5.390 0 1 FKAF C[C@@H]1CCCCC(=CCl)C[C@H](C(C)(C)C)OC(=O)CC=CN(C)C1=O 2356799053 TXSKGOYJIQLKGC-NVXWUHKLSA-N 369.933 5.029 0 1 FKAF CCCCC[C@@H](C)CCC[C@@H](C)CCCC(C)=CCOP(=O)(O)O 2356817501 DLVQMADNSNPDGL-QZTJIDSGSA-N 362.491 6.235 0 1 FKAF CCCCOc1ccc(Cn2c3cc(N)ccc3c3ccc(N)cc32)cc1 2382248619 HEHLSSVXMXPEGG-UHFFFAOYSA-N 359.473 5.186 0 1 FKAF Clc1ccccc1[C@H](Cn1ccnc1)OCc1nc2ccccc2s1 2382251625 OSDHSVXCXYPTBC-KRWDZBQOSA-N 369.877 5.104 0 1 FKAF COc1cccc(-c2ncn(CCc3ccccc3OC)c2CC(C)C)c1 169304698 NHHKTYFJMJEKTP-UHFFFAOYSA-N 364.489 5.009 0 3 FKAF COc1ccc(-c2csc(Nc3ccc4ccccc4n3)n2)cc1OC 13141349 FSIIFWHPLJLLRR-UHFFFAOYSA-N 363.442 5.119 0 1 FKAF CCCC[C@H]1Cc2cc(OC)ccc2-c2c(C=O)c3ccc(OC)cc3n21 13606361 DDOKDZPBBFNHTC-INIZCTEOSA-N 363.457 5.425 0 1 FKAF CCCCCc1cc(O)c2c(c1C(=O)O)OC(C)(C)[C@H]1CCC(C)=C[C@@H]21 14722869 VITZNDKHSIWPSR-CVEARBPZSA-N 358.478 5.434 0 1 FKAF biogenic CCc1c(C)nc(Oc2c(C)cc(C)cc2C)c(C)c1OC(CC)CC 14974982 CQDRMTZWDCKCMS-UHFFFAOYSA-N 355.522 6.546 0 1 FKAF Cc1ccccc1NCc1nnc(-c2ccccc2-c2ccccc2)s1 26378675 GAXODYHHBVQXKC-UHFFFAOYSA-N 357.482 5.793 0 1 FKAF COC(=O)c1sc(-c2ccccc2)cc1NC(=O)Nc1ccc(C)cc1 28221699 CAKFUQIVPOLWGV-UHFFFAOYSA-N 366.442 5.154 0 1 FKAF CCCCSCC[C@@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)cc1 29394635 CBOPMPFPBQTJAP-YADHBBJMSA-N 358.547 6.299 0 1 FKAF Clc1ccccc1-c1nc(CNC(c2ccccc2)c2ccccc2)co1 64399376 LCTAINMIKDZCQM-UHFFFAOYSA-N 374.871 5.874 0 1 FKAF CCCCc1ccc(-c2cc(NCCCN(C)c3ccccc3)ncn2)cc1 82160408 KASRLXKPHQEEOE-UHFFFAOYSA-N 374.532 5.425 0 1 FKAF CCCCCn1c(-c2cc[n+](CCCCC)cc2)cc(=O)c2ccccc21 96932252 AMJFDNNUJQOECL-UHFFFAOYSA-N 363.525 5.336 0 1 FKAF c1cc2ccc(-c3ccc4[nH]ccc4c3)cc2c(-c2ccc3[nH]ccc3c2)n1 114462181 SUPAXFXVDHCZAJ-UHFFFAOYSA-N 359.432 6.531 0 1 FKAF COc1ccccc1-n1cnc2cc(Nc3ccc4ccccc4c3)ccc21 200657592 FLTATMURQVDTLK-UHFFFAOYSA-N 365.436 5.931 0 1 FKAF COc1ccc(Nc2nccc(-c3ccc4nc(C)n(C(C)C)c4c3)n2)cc1 474607828 KEBMLXBFCRPVRB-UHFFFAOYSA-N 373.460 5.135 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(Cl)ccc4N)nc13)-c1ccccc1C2=O 586993664 PHILGEUDOVKIFC-UHFFFAOYSA-N 370.839 5.657 0 1 FKAF Fc1cccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 587015387 NZZUWICNCQXAMF-UHFFFAOYSA-N 364.232 5.799 0 1 FKAF Cc1c(F)ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587047347 HBHGQBOSCDMGPK-UHFFFAOYSA-N 371.242 6.651 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(Cl)c(F)cc2[nH]1 587074192 SDBHLTSKTOGZFH-UHFFFAOYSA-N 371.242 6.651 0 1 FKAF Cc1ccc2c3c(cc(-c4csc(C(=O)O)c4)nc13)-c1ccccc1C2=O 587103324 WETBGBDLMQCDDA-UHFFFAOYSA-N 371.417 5.181 0 1 FKAF O=C1c2ccccc2-c2cc(-c3c(F)c[nH]c4nccc3-4)nc3cccc1c23 587104558 RNJUNKXBNVPGBW-UHFFFAOYSA-N 365.367 5.080 0 1 FKAF O=C1C[C@H](c2ccc(F)c(OC3CCC3)c2)Oc2c1ccc1c2CCCC1 587509164 XKXKFJIPWBUSNQ-OAQYLSRUSA-N 366.432 5.342 0 1 FKAF Cc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587520746 BSSMHKYYYHKHCX-SANMLTNESA-N 368.476 5.783 0 1 FKAF CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CC 587525071 PMNSLFGEDUKQBN-JOCHJYFZSA-N 350.458 5.233 0 1 FKAF O=C1C[C@@]2(CCCc3c2[nH]c2ccccc32)Oc2c1ccc1c2CCCC1 587528135 XEMOYQOGNFJXSS-XMMPIXPASA-N 357.453 5.244 0 1 FKAF CCOC(=O)Cc1[nH]c2ccc([C@@H](C)CC)cc2c1NC(=O)OC(C)(C)C 587643184 RSPJUQVHIBCNIM-ZDUSSCGKSA-N 374.481 5.134 0 1 FKAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4ccc5ccccc5n4)cc32)[nH]1 653749328 DMZUTBOLEOWFSU-UYRXBGFRSA-N 365.436 5.339 0 1 FKAF COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1-c1ccsc1 653787438 NEANXKQTZHWOLN-UHFFFAOYSA-N 364.422 5.206 0 1 FKAF CSc1ccccc1[C@]1(C2CCC2)c2ccc(F)cc2C[C@@H]2CCCN21 963115775 XOIORBCFCMWWNK-CVDCTZTESA-N 367.533 5.612 0 1 FKAF Clc1ccc2c(c1)CCN[C@@]21CC2(CCCCC2)Oc2ccccc21 963390820 NDKQBPXAHNMSCD-QFIPXVFZSA-N 353.893 5.215 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(F)(F)CC[C@]34C)C1=CC=C2c1cccnc1 1772619361 OZONUHIWGLDCKU-KSPOJXDVSA-N 369.499 6.673 0 1 FKAF O=C1c2c(cccc2OCC2CCCCC2)C[C@H]1Cc1ccc(Cl)cc1 1857633143 UBUNPOXYKKQHAT-LJQANCHMSA-N 368.904 5.897 0 1 FKAF O=C(Oc1ccccc1)N1CCC(CCn2ccc3cccc(F)c32)CC1 1857635847 KBYUWKKDMYXESU-UHFFFAOYSA-N 366.436 5.082 0 1 FKAF COc1cc(O)c(C(=O)CC(C)C)c2c1[C@H]1C[C@H](C(C)C)C=C[C@@]1(C)O2 1857644205 TZTSRCMFKAPIBB-DOQJBMMISA-N 358.478 5.096 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)oc2ccc(O)cc12 1857650157 XGDZSKMFVUSAOB-UHFFFAOYSA-N 351.185 5.289 0 1 FKAF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C1=CC[C@H](C)C[C@@H]12 2356332257 BKRLVBUDBPQLLV-YJBOKZPZSA-N 356.506 5.956 0 1 FKAF CC(=O)OC=C1CCC=C(C)C[C@H]2OC(=O)[C@H]1[C@H]2[C@H](C)CCC=C(C)C 2356344725 DFKHRBLZEJCJLU-RZXSNQJFSA-N 360.494 5.104 0 1 FKAF O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@H](c2ccoc2)N1Cc1ccccc1 13661899 KSYOIXDDZBOZLY-QPXUXIHVSA-N 369.464 5.339 0 3 FKAF O=C(Nc1cccc(SC(F)(F)F)c1)Nc1cccc2cnccc12 13608718 NYNMAMOLVJTEBP-UHFFFAOYSA-N 363.364 5.491 0 1 FKAF COc1ccc(C2=CCC[C@@H](CN3CC=C(c4ccccc4)CC3)C2)cc1 13738851 JCNGPOQBWNDDLN-HXUWFJFHSA-N 359.513 5.668 0 1 FKAF O=S(=O)(c1ccc2ccccc2c1)n1c2ccccc2c2ccccc21 39095046 OGWRCTVGMJBFRL-UHFFFAOYSA-N 357.434 5.185 0 1 FKAF Fc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1Cn1ccnc1 40423438 GNDCRCQAPUYLOU-UHFFFAOYSA-N 352.800 5.016 0 1 FKAF CC(C)=CCC[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@H](CC[C@@]3(C)O)/C(C)=C/C[C@@H]12 70647142 JNYWQVTXIGGOTC-ALKRMKJZSA-N 358.610 6.919 0 1 FKAF COc1cc2cc(OC)c1OCCCCCCOc1ccc(cc1)/C=C\2 101450996 STSSIWRFUUGZRO-FPLPWBNLSA-N 354.446 5.206 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)c1cc[n+]([O-])cc1-2 169347742 AXLWAEOWFSXFSS-JKSUJKDBSA-N 369.505 5.640 0 1 FKAF CC/C=C/[C@@H](CC)C/C(=C/[C@](O)(CC)C[C@@](O)(/C=C/C(=O)O)CC)CC 169370075 LSVMTGUPGAJFCN-BPBDJYSQSA-N 366.542 5.018 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](C(F)(F)F)CCC3 586987495 XFOGHMMSAWLIHD-ZDUSSCGKSA-N 369.342 5.134 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H]3c1ccccc1 586989864 GJFLNPGFQHBZAY-HNNXBMFYSA-N 363.416 5.230 0 1 FKAF COc1ccccc1-c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587107854 WRXACTWEGZUAKC-UHFFFAOYSA-N 351.405 5.430 0 1 FKAF C[C@@]1(CCC2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349559 CIBGLOTYLRGDLP-GMAHTHKFSA-N 368.448 5.619 0 1 FKAF COc1cccc(-c2cc(-c3c(C)coc3C)nc3c2oc2ccccc23)c1 587365789 JXNVQKMRWKNYRI-UHFFFAOYSA-N 369.420 6.533 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)cc1F)CC2=O 587464669 VQHJAOINSHYPGH-QGZVFWFLSA-N 368.326 5.209 0 1 FKAF CC(C)c1ccc2c(c1)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587520899 BDQZHAWWIGGKDI-RUZDIDTESA-N 360.497 5.886 0 1 FKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(Cl)cc1 587622138 YQKHDGUOFACLDH-UHFFFAOYSA-N 360.642 5.436 0 1 FKAF Cc1[nH]c2cc(F)ccc2c1Cc1c[nH]c2ccc(Br)cc12 587632802 QOAIBWJMUPBNDD-UHFFFAOYSA-N 357.226 5.450 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)c(F)c3)c(CCC(=O)O)c2c1 587642033 LQFXFUIHYRZDCN-CYBMUJFWSA-N 369.436 5.513 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(Cc3c(C)[nH]c4ccccc4c3=O)c2c1 587644546 ZPRBRYXTRBOMDY-AWEZNQCLSA-N 358.485 5.731 0 1 FKAF CCCCCC[C@]1(CCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587812822 KWQGOGWDTGSGGM-KUHUBIRLSA-N 370.350 6.088 0 1 FKAF C[C@@H](C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1 587817442 CBOFSXOTDJRSSQ-XEKQOVJPSA-N 362.286 5.357 0 1 FKAF Cc1ccc([C@H](C)C[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587826209 DJHSOYOOAZIRKJ-RLFDGXBXSA-N 366.274 5.259 0 1 FKAF COc1ccc(-c2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)cc1OC 587928843 NLHBCWQYIODSGX-UHFFFAOYSA-N 364.832 5.568 0 1 FKAF COc1cccc([C@@H](C)Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587929716 DGBVZSWCVKEAGX-INIZCTEOSA-N 374.509 6.069 0 1 FKAF COc1ccc2c(c1)[C@@](CC(=O)C(C)(C)C)(C(C)(C)C)N(C(C)C)CC2 962091114 LKGSDEMGQJAVQZ-QHCPKHFHSA-N 359.554 5.208 0 1 FKAF CSc1ccc2c(c1)[C@@]1(CC2)NCCc2cc(-c3ccccc3)ccc21 962666807 LOYQQGNTKSOQRP-DEOSSOPVSA-N 357.522 5.411 0 1 FKAF C[C@@]1(C2(c3ccccc3)CCCC2)NCCc2c(Cl)cc(Cl)cc21 963111672 RLIZYAYTPKYVOB-HXUWFJFHSA-N 360.328 5.866 0 1 FKAF CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@@H]2c3cc4c(cc3CCN12)OCO4 1772622158 NIKSJNPDOOOIEM-RTWAWAEBSA-N 374.484 5.139 0 1 FKAF COc1cc(C(C)=CC=CC=CC=Cc2[nH]ccc2Cl)oc(=O)c1C 2356570719 TUFFAFAPFQNIRB-UHFFFAOYSA-N 357.837 5.167 0 1 FKAF CCCCc1c(-c2cccc(Cl)c2)ncn1CCc1ccccc1OC 95564677 LUGKUGQDRAATDY-UHFFFAOYSA-N 368.908 5.797 0 3 FKAF Clc1nc(Nc2nc3ccccc3[nH]2)nc(Cl)c1-c1ccccc1 1857444 XXLLIKXMZDUCPE-UHFFFAOYSA-N 356.216 5.070 0 1 FKAF CC(C)c1ccc(O[C@](C)(Cc2ccccc2-c2ccccc2)C(=O)O)cc1 13604821 GPSMFTJRDQOPNB-RUZDIDTESA-N 374.480 5.942 0 1 FKAF Clc1cccc(OC[C@@H]2[C@@H](c3cccs3)C[C@@H]3CC[C@H]2N3)c1Cl 13977653 QZQZBTJZISDJMB-RMRHIDDWSA-N 368.329 5.358 0 1 FKAF COc1ccc(OC)c(NCCCCCCCCCCCCCCO)c1 36473497 GTJQWFXCOHJFLX-UHFFFAOYSA-N 365.558 5.789 0 1 FKAF c1cc(Nc2ccc3c(c2)CCC3)nc(Nc2ccc3ncsc3c2)n1 38792057 WDPAZIDBJLCQQP-UHFFFAOYSA-N 359.458 5.062 0 1 FKAF Cc1ccccc1-c1cc(-c2ccoc2)cc(-c2ccc(Cl)s2)n1 45353258 OPEXAXPUCPVLRB-UHFFFAOYSA-N 351.858 6.699 0 1 FKAF Cc1cccc(-c2nc(NCC3CC3)ncc2-c2nc3ccccc3s2)c1 82173085 OFLKZMRZZDYRTO-UHFFFAOYSA-N 372.497 5.551 0 1 FKAF CCCCCNc1ncnc2c1nc(-c1ccccc1)n2CCCCC 82186130 XVEWQBDFLBOGOL-UHFFFAOYSA-N 351.498 5.286 0 1 FKAF CCC/C=C\CSC[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 84688333 QXBFRDGMYMBQMJ-VSTCBPDPSA-N 352.540 5.071 0 1 FKAF CC(C)(C)c1c(Cl)c(=O)c(-c2ccccc2)c(O)n1-c1ccccc1 100480887 KDXBCXQREJUTIP-UHFFFAOYSA-N 353.849 5.161 0 1 FKAF Cc1ccccc1-c1nc2ccc(Nc3ccnc4ccccc34)cc2[nH]1 299825795 CHVYFZSFZMQZLH-UHFFFAOYSA-N 350.425 5.830 0 1 FKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2Cl)[C@@H](c2ccc(O)cc2)C1 299826833 FCAZOFQHVOLPOG-QGZVFWFLSA-N 363.288 6.053 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(O)cc3)c3c(n2)-c2ccccc2OC3)cc1 473112998 FESLZGDPMLUZGH-UHFFFAOYSA-N 367.404 5.386 0 1 FKAF c1ccc2sc(-c3ccc4nc(-c5occ6c5CCC6)[nH]c4c3)nc2c1 586905465 PWQNOPDWPKKLKL-UHFFFAOYSA-N 357.438 5.588 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587068428 ABYICHDIVIDAJG-VIFPVBQESA-N 367.758 5.007 0 1 FKAF O=C(c1nc2c3c(ccc2[nH]1)CCCC3)c1c(Cl)ccc(F)c1Cl 587133180 LNQMGSBBYLWHBR-UHFFFAOYSA-N 363.219 5.119 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587169995 HDQGRHFSUSNJIE-JTQLQIEISA-N 370.371 5.496 0 1 FKAF CCOC(=O)[C@@H](Cc1ccc(C(C)C)cc1)c1cc2c3c(cccc3n1)CC2 587212173 PLYGQMQETFZVFQ-NRFANRHFSA-N 373.496 5.346 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 587240657 NLRLJMCVTFZECX-UHFFFAOYSA-N 371.484 6.280 0 1 FKAF CC1(C)CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350427 HTKPQHSPDAASCO-SIKLNZKXSA-N 354.421 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CCC)(c1c[nH]c3ccccc13)CC2=O 587481820 IIPQBBKOAHJCOF-QHCPKHFHSA-N 363.457 5.487 0 1 FKAF O=C1C[C@@]2(CCCCc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587505126 YDPADDMVVASBJY-HSZRJFAPSA-N 366.888 5.806 0 1 FKAF O=C1C[C@@H](c2cc(Cl)c(F)c(Cl)c2)Oc2c1ccc1c2CCCC1 587505276 MDIQBVDTTDYQDB-KRWDZBQOSA-N 365.231 5.718 0 1 FKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1Cl 587507420 QMDBDJPDOGRDIA-IBGZPJMESA-N 361.268 5.887 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(C2CCC2)c1 587600231 AEXUVPLZJPETQO-URXFXBBRSA-N 372.420 5.363 0 1 FKAF Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587600912 DAMOGAWRHAGSJW-NZQKXSOJSA-N 360.409 5.020 0 1 FKAF CC(C)(C)c1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)cc1 587633986 RUTZUFDYQIZGTH-UHFFFAOYSA-N 363.354 5.854 0 1 FKAF COc1ccc(-c2cnc3c(-c4cccc(C)c4)snc3c2)cc1OC 1857586069 DKOPTVTUXHJTIO-UHFFFAOYSA-N 362.454 5.351 0 1 FKAF Brc1ccc2c(c1)nc(-c1c[nH]c3ccccc13)c1[nH]ccc12 1857747588 GEPXBQMNBQFBII-UHFFFAOYSA-N 362.230 5.627 0 1 FKAF C[C@H]([C@H]1CC=C2[C@@H]3CCC4=C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356596347 JLDLXPZTQHZTBT-IZGDJANGSA-N 370.625 5.366 0 1 FKAF CC1=C[C@H](O)CC(C)=CC[C@]2(C)CC[C@]3(C)CCC(C)(C)[C@H](O)[C@H]3[C@H]2CC1 2356618290 MGTAYOKGQOZSLL-AOXIAENHSA-N 374.609 6.034 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@@H]12)CN(CC(=O)O)C=C3 2356867282 WPVQCRNUKYZBFW-IYRWYFENSA-N 357.538 5.240 0 1 FKAF Cc1cccc(NC(=S)N2CCC(c3nc4ccccc4o3)CC2)c1C 8685996 GRJNFPQNFFSNIW-UHFFFAOYSA-N 365.502 5.021 0 3 FKAF CCC[C@H](C)n1c(CC)nc2c(-c3ccc(Cl)cc3Cl)nccc21 13479638 POMWTQKAGJDRBD-LBPRGKRZSA-N 362.304 6.329 0 1 FKAF Clc1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1Cl 13517633 SXQRQOJDBKGPQC-UHFFFAOYSA-N 350.289 5.558 0 1 FKAF COc1c(CCCCCCCCCCC[C@@H](C)O)[nH]c2ccccc2c1=O 14511125 OSAYGIDOEMCDEU-GOSISDBHSA-N 373.537 5.361 0 1 FKAF biogenic,in-vitro Cc1ccc2nc(-c3c(F)cccc3F)n(Cc3c(F)cccc3F)c2c1 28710961 CRBWTNRURBAJFA-UHFFFAOYSA-N 370.349 5.616 0 1 FKAF O=c1oc(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccccc1 40979586 MCIZTUYEWIZHNS-UHFFFAOYSA-N 356.377 5.052 0 1 FKAF C[C@@](Cc1ccccc1)(C1=Cc2ccccc2CC1)[C@H](O)c1ccccc1 71341772 MFPYOOVWBRXSDG-CLJLJLNGSA-N 354.493 5.999 0 1 FKAF Fc1cccc(-c2nc(Nc3ccccc3Cl)c3cc(F)ccc3n2)c1 72114848 SIKHLLCMVALXJT-UHFFFAOYSA-N 367.786 5.972 0 1 FKAF c1ccc(Oc2cncc(NCC(c3ccccc3)c3ccccc3)n2)cc1 82087998 ZSGCMAWYVSHLKL-UHFFFAOYSA-N 367.452 5.513 0 1 FKAF C[C@@]12C=C(/C=C/CCc3ccco3)[C@](C)(C1)[C@H](CCc1ccco1)CC2=O 102369519 HSYVZZKTEPXIFY-UEPWYHAASA-N 364.485 5.926 0 1 FKAF Cc1nc(COc2cccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)cs1 587019986 APVCYYGGDGVDPK-UHFFFAOYSA-N 373.840 5.366 0 1 FKAF FC(F)(F)c1cc2nc(/C=C/c3ccsc3)[nH]c2cc1Br 587026723 WXVBQMYXBVVNHB-OWOJBTEDSA-N 373.197 5.576 0 1 FKAF Oc1ccc2scc(-c3nc4cc(F)cc(Br)c4[nH]3)c2c1 587031948 CSGGSCBFWDWABT-UHFFFAOYSA-N 363.211 5.052 0 1 FKAF Clc1cccc(COc2ccc(-c3nc4c(Cl)cncc4[nH]3)cc2)c1 587071891 UMBMJDBQDNWWTR-UHFFFAOYSA-N 370.239 5.511 0 1 FKAF Fc1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587148526 BLWXWPOLUXWPEF-LJQANCHMSA-N 354.331 5.149 0 1 FKAF CC(=O)c1ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2c1 587247549 OKQVOPOBLNKUQY-UHFFFAOYSA-N 371.440 5.180 0 1 FKAF COc1cccc(-c2cc(-c3ccc(=N)[nH]c3)nc3c2oc2ccccc23)c1 587363905 WQARIDYHGCZUFY-UHFFFAOYSA-N 367.408 5.131 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)(C)C)[nH]c3c(F)cccc13)O2 587387959 XONIMHVVORFJJC-QGZVFWFLSA-N 366.436 5.202 0 1 FKAF O=C1C[C@@]2(CCCOc3c(Cl)cccc32)Oc2c1ccc1c2CCCC1 587497767 GPHASZMXIVGUDL-JOCHJYFZSA-N 368.860 5.252 0 1 FKAF CCn1cc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)(F)F)c(C)n1 587624002 DATLDHDYXXLCJQ-UHFFFAOYSA-N 369.774 5.067 0 1 FKAF Cc1c(-c2ccc(F)c(Br)c2)[nH]c2c(C)cc(Cl)cc12 587624489 KECVWLGMLSQTTL-UHFFFAOYSA-N 352.634 6.007 0 1 FKAF CC[C@@]1(C2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587818749 JCSOCLDYYPWZJL-SGTLLEGYSA-N 354.307 5.308 0 1 FKAF Cc1ccc([C@H](C)C[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587830305 SHSGYGMBALTRFH-UEKVPHQBSA-N 366.274 5.259 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccsc1 587867437 YYUJCILFIDQHHT-UHFFFAOYSA-N 352.381 5.077 0 1 FKAF Cc1cc(-n2nc3cc2Oc2ccc(F)cc2-3)nc2ccc(Cl)cc12 587873511 CIZUURJWWSXYQB-UHFFFAOYSA-N 351.768 5.294 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2)cc1 587936126 RXPXFFGJJBGDOG-UHFFFAOYSA-N 369.346 5.319 0 1 FKAF CCCn1c(C)cc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1C 962693164 AEWBXVXFCMDAIA-VGSWGCGISA-N 372.553 5.107 0 1 FKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 2356429751 HIGFJBWLJMUGFT-SUVRAQCXSA-N 368.605 7.327 0 1 FKAF CCCC[C@H]1[C@H]2C[C@H](OC(=O)Nc3ccc(F)cc3)[C@@H](C2)[C@H]2CCCCN12 263590756 OCGIGFZFQAJICT-JUHPOPGZSA-N 374.500 5.196 0 3 FKAF CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1sccc1C 27081299 PUJODVMQHYLYRJ-UHFFFAOYSA-N 361.850 5.138 0 1 FKAF CCCC[C@@H]1C[C@H]1[C@H](NC(=O)c1ccco1)c1ccccc1C(F)(F)F 38179247 FZALWCVKBMQFFE-DDUZABMNSA-N 365.395 5.596 0 1 FKAF Cc1ccc2cccc(OCCCOc3cccc4ccc(C)nc34)c2n1 40408779 IAXRYRVAHWTYGP-UHFFFAOYSA-N 358.441 5.248 0 1 FKAF Cc1cnc(-c2cnc(NCC3CCCCC3)nc2-c2ccc(F)cc2)o1 82164252 PIBXKVXMYJRKCN-UHFFFAOYSA-N 366.440 5.238 0 1 FKAF C[C@H](c1ccc2c(c1)c1ccccc1n2C)n1cc(-c2ccccc2)nn1 84668387 KSKOONKTIUGDRV-MRXNPFEDSA-N 352.441 5.199 0 1 FKAF CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2cccnc2)cc1 84714442 NCKDOAKWRLMFOI-LJQANCHMSA-N 369.512 5.830 0 1 FKAF CC(C)c1cccc(-c2c(C(=O)O)c(N(C)C)nc3ccc(Cl)cc23)c1 205478093 CKMUEMURCFDTSJ-UHFFFAOYSA-N 368.864 5.443 0 1 FKAF CCCCCCNC(=O)Oc1cccc(-c2ccc([C@@H](C)CO)cc2F)c1 208238126 WGAHHJUZFSFTHU-INIZCTEOSA-N 373.468 5.257 0 1 FKAF CCCCC[C@H](O)/C=C\[C@@H]1C[C@H]2C[C@@H](S2)[C@@H]1C/C=C\CCCC(=O)O 328577330 OVGWMUWIRHGGJP-PHSMZDPJSA-N 366.567 5.195 0 1 FKAF in-vitro Cc1ccc2nc([C@@H](C)O)n(CCCCOc3ccc(C)c(Cl)c3)c2c1 473247735 GMTLWIWKNUOUKH-MRXNPFEDSA-N 372.896 5.219 0 1 FKAF CCCCCOc1cc2nc([C@H]3C[C@]3(C)CC)[nH]c2cc1Br 586890878 PMERZYSNVFNMSR-XIKOKIGWSA-N 365.315 5.798 0 1 FKAF CC(C)c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(O)c(C(C)C)c1 586897109 XMCHMYJBCJQQAG-UHFFFAOYSA-N 362.395 6.201 0 1 FKAF CCc1ccc(-c2nc3cc(Cl)cc(F)c3[nH]2)cc1Br 586978003 WAPUTKWCRUQPSF-UHFFFAOYSA-N 353.622 5.347 0 1 FKAF CCCn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)n1 587104714 HVKXBYOHKSDALM-UHFFFAOYSA-N 353.425 5.028 0 1 FKAF FC(F)(F)c1cncc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587115737 ZOSNMXQUTXPFCU-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF CCc1ccc2nc(Cc3cccc(-c4ccc(F)cc4OC)c3)[nH]c2c1 587158718 GCVSLLUWZMAFMW-UHFFFAOYSA-N 360.432 5.531 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C2CC2)C3)c1 587366989 PGXVMCSPFJIQRM-INIZCTEOSA-N 355.437 5.781 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C4CCCCC4)cc1)[C@@H](C2)C3=O 587445545 LATFJHMARLBWSW-RDPSFJRHSA-N 362.469 5.406 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1C1CCCCC1)CC2=O 587472031 WYEWEXQXBNNJCB-OAQYLSRUSA-N 353.462 5.358 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(O)cc1)CC2=O 587482963 PSXLXYUELIHUKI-HSZRJFAPSA-N 374.436 5.424 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccsc1)CC2=O 587493699 GCTDVRGXOUIRGS-OAQYLSRUSA-N 364.466 5.780 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(Br)cc(C)c2[nH]1 587950357 KKEOPWOFQXFLRB-PJODQICGSA-N 365.315 5.680 0 1 FKAF FC1(F)Oc2cc3nc(Cc4ccccc4-c4ccccc4)[nH]c3cc2O1 587959805 WFOWZVFMZOPHCT-UHFFFAOYSA-N 364.351 5.142 0 1 FKAF CC/C(=C\c1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc(C)cc1 587967184 MCJYHILUDNVMRA-OBGWFSINSA-N 354.453 6.614 0 1 FKAF COc1cccc(CC[C@@]2(C3CC3)c3c(F)cccc3C[C@H]3CCCN32)c1 963105331 PQYBUHLZNHBJSF-HYBUGGRVSA-N 365.492 5.093 0 1 FKAF Clc1cccc([C@@H](Cn2ccnc2)OCc2nc3ccccc3s2)c1 2382218505 LGYOTGVBFVXZBT-QGZVFWFLSA-N 369.877 5.104 0 1 FKAF C[C@]1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2c(Cl)cccc21 61896665 HKGDGADDOPKUHK-MRXNPFEDSA-N 374.189 5.465 0 3 FKAF COc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2CCCCC3)cc1 1548761 VAQBLDJCKUZCTF-UHFFFAOYSA-N 352.865 5.470 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCC[P@@](=O)(O)C(=O)O 1914877 USBVXTWLSPDZBW-CBXDKUCNSA-N 356.443 6.524 0 1 FKAF CC(C)=CCc1cccc2c(C(C)(C)C=Cc3cccc4cc[nH]c34)c[nH]c12 13365945 RPMTXMOMVGUPIS-UHFFFAOYSA-N 368.524 7.149 0 1 FKAF biogenic Cc1cc(C)c(NC(=O)c2ccc3nc(NCC4CC4)sc3c2)c(C)c1 13536488 ZOJBXCXSYUNBEO-UHFFFAOYSA-N 365.502 5.296 0 1 FKAF O=C1NC(=O)/C(=C/c2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)S1 13734217 OHUUWMIAGBHVMQ-UYRXBGFRSA-N 373.433 5.050 0 1 FKAF C/C=C/CN(CC)c1nc(C)nc2c1c(C)cn2-c1c(C)cc(C)cc1C 13762223 OEBUYRRGNDYATD-CSKARUKUSA-N 362.521 5.365 0 1 FKAF CC[C@H](C)c1ccc(N2CCCN(c3ccc([C@H](C)CC)cc3)C2=N)cc1 13780649 PUGLCELYQWRJRC-KDURUIRLSA-N 363.549 6.365 0 1 FKAF COc1cccc2c1[nH]c1c3c(c(C)cc12)O[C@@](C)(CCC=C(C)C)C=C3 14585292 PCARJFWVFUEFLY-DEOSSOPVSA-N 361.485 6.549 0 1 FKAF biogenic Cc1ccc(NC(=O)CCC2CCCCC2)cc1NCc1ccc(O)cc1 27079735 ROYDJMDSBQHPLW-UHFFFAOYSA-N 366.505 5.612 0 1 FKAF Clc1ccccc1[C@@H](CC1CCCCC1)Nc1nc2ccccc2o1 28006126 IOGMSJDNGUNDTO-LJQANCHMSA-N 354.881 6.605 0 1 FKAF Cc1ccc(Sc2ccccc2)c(Nc2ccnc3cc(C)ccc23)c1 73315545 DMIKADCENWOHJS-UHFFFAOYSA-N 356.494 6.746 0 1 FKAF c1ccc(CNc2cncc(Oc3cccc(Nc4ccccc4)c3)n2)cc1 82068698 WDUUQVCCRUAFAD-UHFFFAOYSA-N 368.440 5.625 0 1 FKAF Cc1ccc(N[C@@H](c2ccccc2Cl)c2c(C)[nH]c3ccccc23)cc1 84616651 WGMLMTFVAKEION-QHCPKHFHSA-N 360.888 6.640 0 1 FKAF Cc1ccccc1SC[C@H](O)Cn1c(-c2ccccc2)cc2ccccc21 84687873 JFXIKLQWFZYNPT-OAQYLSRUSA-N 373.521 5.770 0 1 FKAF CC[C@@H](O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 116279601 PCLPUMSFIGAPDD-OAQYLSRUSA-N 362.860 5.765 0 1 FKAF Brc1ccc(-c2c[nH]c(-c3cc4ccccc4cn3)n2)cc1 169692479 BEPPBBZVJDTHTH-UHFFFAOYSA-N 350.219 5.054 0 1 FKAF Cc1cc(Br)cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586883269 AJLHQXAEBXKTIS-HNAYVOBHSA-N 353.263 5.005 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C1C[C@@H]2CC3C[C@H](C1)C2 586990168 JINRWBYRQBYCRF-DGKWVBSXSA-N 367.448 5.543 0 1 FKAF Fc1cc(F)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 587063491 OJMSMNXOSFXSBS-UHFFFAOYSA-N 370.786 5.741 0 1 FKAF Fc1ccc(/C=C(/c2nc3c(F)cnc(Cl)c3[nH]2)c2cccs2)cc1 587164679 UXIPWHIIIIAADV-XYOKQWHBSA-N 373.815 5.540 0 1 FKAF FC(F)(F)c1ccccc1[C@@H]1CCCCc2c1nc1cccc3c1c2CC3 587210198 JJNWPKGRPUGHSX-KRWDZBQOSA-N 367.414 6.211 0 1 FKAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc1C 587359789 ZRHVUJKWOXXKBO-UNMCSNQZSA-N 366.388 5.015 0 1 FKAF Cc1ccc(COc2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587401405 XOFHSJUJZYPWLL-QHCPKHFHSA-N 373.452 5.171 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(SC3CCCC3)cc1)O2 587408271 ADUMACGHSJPGGE-FQEVSTJZSA-N 353.487 5.318 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(C)(C)C)ccc1OC)CC2=O 587481059 PETNRRUVYKWYCQ-OAQYLSRUSA-N 368.473 5.357 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1csc3ccc(Cl)nc13)CC2=O 587493835 GWKILXTYDRVDED-OAHLLOKOSA-N 373.861 5.314 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccccc3)cn2)Oc2c1ccc1c2CCCC1 587514242 HVBICUMYRJMIIK-HSZRJFAPSA-N 355.437 5.334 0 1 FKAF CCOC(=O)c1c(C(Cl)(Cl)Cl)[nH]c2ccc([C@H](C)CC)cc12 587638688 IRNTXCIWYDHWCL-SECBINFHSA-N 362.684 5.685 0 1 FKAF Cc1cc(Cl)cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587783087 WHTRIYQSZGMCJJ-UHFFFAOYSA-N 364.832 5.476 0 1 FKAF Cc1cccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)[nH]c12 587806792 VUWNMVFHHBLBHB-JEOXALJRSA-N 373.269 5.002 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(Br)c(C)nc2[nH]1 587951352 SYLSPVJMJZZKAC-HCKVZZMMSA-N 366.303 5.075 0 1 FKAF Cc1nc(-c2ccc(C=C3CCCCC3)cc2)sc1-c1ccnc(N)n1 653826076 IADTVBAQLMMORQ-UHFFFAOYSA-N 362.502 5.505 0 1 FKAF Clc1ccc(Nc2nccc(Nc3ccc4n[nH]cc4c3)n2)cc1Cl 653886932 NRELEDZOLNTVES-UHFFFAOYSA-N 371.231 5.147 0 1 FKAF O=C(O)c1cccc(-c2ccc([C@H]3NCCc4cc(Cl)ccc43)s2)c1 963391418 SSJHXGWPQDEDKB-IBGZPJMESA-N 369.873 5.002 0 1 FKAF Clc1cccc(-c2cc(-c3ccccc3)c3oc4ccccc4c3n2)c1 1772611503 AHVVWTQYUJIUDX-UHFFFAOYSA-N 355.824 6.968 0 1 FKAF COc1ccc(-c2cccc(C)c2)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772644037 WHRPRCCSBIXZPQ-SFHVURJKSA-N 367.470 5.042 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3F)nc3c2Cc2ccc(O)cc2-3)cc1 1857545708 YBNXLKGHTOJKFN-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF COc1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c1 1857575596 ONNBCDSUCDVCHG-UHFFFAOYSA-N 358.850 5.721 0 1 FKAF COc1cccc([C@H]2Oc3cc(OC)ccc3[C@@H]2c2ccc(F)c(F)c2)c1 1857749794 YDPAEXNXOLTAEC-FCHUYYIVSA-N 368.379 5.248 0 1 FKAF CO[C@H]1CCCN(Cc2cc(-c3ccc(C(C)C)cc3)n(C(C)C)c2C)C1 1857766153 BOCMCSQMDJGWMB-QHCPKHFHSA-N 368.565 5.779 0 1 FKAF C[C@]12CC=C(c3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 2356311752 DVFACKFNDPANLI-GRRKTJPFSA-N 350.546 6.084 0 1 FKAF COc1cc(OC)c2c(c1O)C=C[C@](C)(CC[C@]1(C)CCC=C(C)[C@@H]1C)O2 2356474950 KDDVGLFIPJEMAU-IRBZQWRBSA-N 372.505 5.736 0 1 FKAF CC1=CCCC(C(=O)O)=C[C@H](OC(=O)c2ccccc2)C(C)(C)CCC1 2356568008 DFMUJBWKZFLLCY-IBGZPJMESA-N 356.462 5.160 0 1 FKAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356585637 WWWDIYZWGZOIBA-AKGHTDQDSA-N 371.565 5.001 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)C3=CCN(CC(=O)O)C=C3CC[C@@H]12 2356854394 ROIGGZDZSZEDCH-CQIJRDABSA-N 357.538 5.240 0 1 FKAF CC(C)=CC[C@H](OC(=O)CC(C)C)c1coc(-c2cc(O)ccc2O)c1 13432859 RQSVDMLEQSPRMK-IBGZPJMESA-N 358.434 5.345 0 1 FKAF biogenic CC1(C)CCC(C)(C)c2cc([C@@H]3CCCc4oc(C(=O)O)cc43)ccc21 13560365 ORVWRLJXZZBPEJ-HNNXBMFYSA-N 352.474 5.795 0 1 FKAF CC(C)(C)[C@H](O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C 13560791 XAMZHALVIXXTIZ-LSWJPFSZSA-N 368.496 5.164 0 1 FKAF C[C@@H](Cc1ccccc1)N[C@@H]1C[C@@H]2c3ccccc3CCc3cccc1c32 13685312 DNSDIYWJKBRJKP-PISWEHOVSA-N 353.509 5.583 0 1 FKAF O=C(O)CCCCCCc1ccc(CCCc2ccc(Cl)cc2)s1 26940984 GXZFUGKTNBGXOE-UHFFFAOYSA-N 364.938 6.154 0 1 FKAF C[C@]12CCC(=O)C[C@H]1CC[C@H]1C3=CC[C@H](c4ccc(=O)oc4)[C@@]3(C)CC[C@H]12 27633832 VKYZAIOQMTVXEU-VQEADUOPSA-N 366.501 5.255 0 1 FKAF FC(F)(F)c1cccc(-c2ccc(-c3cccc(C(F)(F)F)c3)s2)c1 28816796 CJCBHRPFMNMFJL-UHFFFAOYSA-N 372.333 7.120 0 1 FKAF CCC(CC)n1ccc2c(Nc3c(C)cc(C)cc3C)nc3ccnn3c21 35791433 GAFQBRBERHUGTG-UHFFFAOYSA-N 361.493 5.714 0 1 FKAF Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)[C@@H](O)[C@H]2C 35966238 YFJZCMOHVUUOJJ-YUNKPMOVSA-N 354.881 5.465 0 1 FKAF CCN[C@H]1CC=C(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)CC1 84670443 BPVHTTZVPKXNPJ-HNNXBMFYSA-N 364.518 5.212 0 1 FKAF CC(C)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)c2ccc(O)c(C(C)C)c2O1 85721789 DQQSNOMAPLESJP-SELNLUPBSA-N 360.538 6.133 0 1 FKAF biogenic CCCCCCCCCCCCCCCCCCC[C@@H](OC)C(=O)O 85857463 USDOHENHURQUMO-OAQYLSRUSA-N 356.591 7.128 0 1 FKAF biogenic O=C1C[C@H](c2ccco2)Sc2ccccc2N1Cc1cccc(Cl)c1 95562518 LFSACMMXLPRGDH-LJQANCHMSA-N 369.873 5.703 0 1 FKAF COc1ccc([C@@H](C)n2cc(-c3ccc4oc5ccccc5c4c3)nn2)cc1 103237902 YCEJIKGLLGZDKD-OAHLLOKOSA-N 369.424 5.462 0 1 FKAF CC[C@@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169359277 DAXMFHJYAYLAJM-DZTKRGCRSA-N 373.581 5.081 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c2)cc1 586880966 QSTHVXSOVNCXTA-UHFFFAOYSA-N 368.480 6.397 0 1 FKAF c1ccc(COc2cccc3nc(CCc4cc5ccccc5o4)[nH]c23)cc1 586909651 ZTCMVGYKWQXCHZ-UHFFFAOYSA-N 368.436 5.673 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 586964263 WHYMUORJLFXTRM-MRXNPFEDSA-N 360.482 6.350 0 1 FKAF Cc1ccc(-c2nc(-c3nc4ccc(Br)cc4[nH]3)cs2)o1 587016013 DWRUHJYFJKWNSF-UHFFFAOYSA-N 360.236 5.017 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4c(Br)c(F)ccc4[nH]3)cc2C1 587033800 NBFXOOGMOBQSDB-MRVPVSSYSA-N 365.271 5.318 0 1 FKAF Cc1cc(Cl)cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587073438 FVRCMFSLTKVVOL-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3ccccc3Cl)n1)O2 587412567 JFGIUKYCJINYCQ-QGZVFWFLSA-N 370.861 5.061 0 1 FKAF O=C1C[C@]2(CCC[C@H]2c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587509412 RMTPFDMNJFFQKX-REWPJTCUSA-N 350.433 5.376 0 1 FKAF Cc1cc(Cl)cc2c(CF)c(-c3ccccc3Br)[nH]c12 587624492 KFVOLVPFEXEWIQ-UHFFFAOYSA-N 352.634 6.029 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(F)cc2)N1 587735506 QCPWGZFXLGJVCM-WLWFQKCCSA-N 364.233 5.016 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC2CC2)(c2ccccc2)N1 587814686 IBZRFWQOYPZQAC-XCLFUZPHSA-N 374.297 5.166 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Cl)nc1 587863997 AWAXLSBVPIMSQP-UHFFFAOYSA-N 367.758 5.005 0 1 FKAF Cc1ccc(-c2csc(-c3c(N4CCCC4)nnc(C)c3C)n2)cc1C 587921383 VUMYSWZPOKGUQC-UHFFFAOYSA-N 364.518 5.101 0 1 FKAF C(=C\c1ccccc1Oc1ccccc1)\c1nc2cnc3ccccc3c2[nH]1 587949601 IHBWQIFJKOUKRB-PFONDFGASA-N 363.420 6.074 0 1 FKAF COc1ccc(-c2cc(-c3ncc(-c4ccccc4)[nH]3)c(C)o2)cc1OC 621429301 AJPFQROAJLNHTC-UHFFFAOYSA-N 360.413 5.329 0 1 FKAF Fc1ccccc1-c1ccc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)s1 963094275 CGQLQSPQBYHSBU-NYHFZMIOSA-N 367.464 5.803 0 1 FKAF Cc1c([C@H]2NCCc3cccc(Cl)c32)c(C)n(Cc2ccccc2)c1C 963392210 YSDZNUKOHQCNLQ-HSZRJFAPSA-N 364.920 5.350 0 1 FKAF Cc1ccccc1Nc1oc(-c2ccccc2)nc1C=Cc1ccccc1 1857622490 CXMOGNBPOSKCFY-UHFFFAOYSA-N 352.437 6.564 0 1 FKAF O=C(C=CC=CCCCCC=Cc1ccc2c(c1)OCO2)N1CCCCC1 2356519421 BADLEYLQAILHPV-UHFFFAOYSA-N 367.489 5.114 0 1 FKAF COc1cc2ccnc3c(-c4cccc5ccccc45)c[nH]c(c1OC)c23 2382222793 PUVSRFAYBALLKM-UHFFFAOYSA-N 354.409 5.554 0 1 FKAF COc1ccc(N2C(=S)N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 2382226560 RDNVAXRZOSLCCO-QFIPXVFZSA-N 372.493 5.421 0 1 FKAF CC(C)=CCC[C@H](C)C[C@@H]1Cc2[nH]nc(O)c2[C@H](c2ccc(F)cc2)O1 95568028 CYNXFOPQKSKYSU-NQYLQCIDSA-N 358.457 5.058 0 3 FKAF CC1(C)CC(c2ccccc2)=NN(C(=O)c2ccc(Cl)c(Cl)c2)C1 13744727 GCAMTQZMWGXQSY-UHFFFAOYSA-N 361.272 5.270 0 1 FKAF c1cc(Nc2ccc(OCC3CCCCC3)cc2)c2c(ccc3c[nH]nc32)n1 28770547 YEZARFNFHHFTIS-UHFFFAOYSA-N 372.472 5.814 0 1 FKAF CC(C)Nc1nc2ccc(-c3[nH]cnc3-c3ccccc3F)cc2s1 29041791 QULPBRNKRXBOQE-UHFFFAOYSA-N 352.438 5.313 0 1 FKAF CC(C)c1cc(C(C)C)n(C[C@H](OC(=O)NC2CCCCC2)C(C)C)n1 40423515 OMEQIVGEPIKRCD-FQEVSTJZSA-N 363.546 5.213 0 1 FKAF Brc1nccc2c3ccccc3n(CCCc3ccccc3)c12 64448068 STBJZGKVJURWPW-UHFFFAOYSA-N 365.274 5.585 0 1 FKAF Cc1cccc(Nc2nc(-c3ccnc(-c4c(C)noc4C)c3)cs2)c1 72114548 ZUUIVCRLJKFHIC-UHFFFAOYSA-N 362.458 5.529 0 1 FKAF CCCCc1ccc(-c2nc(CN[C@H]3C[C@H](C)CC(C)(C)C3)co2)cc1 72184354 VZFUQCHYHZGDMD-PXNSSMCTSA-N 354.538 5.989 0 1 FKAF CCCN(CC1CC1)c1cc(Oc2ccc(OC)c3ccccc23)ncn1 82067774 PSSHNQAOAMTXPE-UHFFFAOYSA-N 363.461 5.057 0 1 FKAF Cc1ccc([C@@H]2C[C@@H]3CC[C@@H]([C@@H]2c2cc(-c4ccccc4)no2)N3C)cc1 100985466 SSEYJTZXHQMBJU-CGCKEFBRSA-N 358.485 5.384 0 1 FKAF Cc1nc(SCC(=O)c2ccccc2)n(Nc2ccc(Cl)cc2)c1C 103244283 SERBLHYSUVOVFN-UHFFFAOYSA-N 371.893 5.004 0 1 FKAF COC(=O)[C@@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)Cc1c[nH]c2ccccc12 103268500 NNODWARDQFGXKL-GEPCJHAKSA-N 365.517 5.662 0 1 FKAF COc1cccc([C@H](C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1 205824650 UORPIGXMGDQKTD-HNNXBMFYSA-N 373.456 5.688 0 1 FKAF CC(C)c1ccc(Nc2nc(C3C4CC5CC(C4)CC3C5)cs2)cc1 299822450 QXOHELIVKLYQSB-UHFFFAOYSA-N 352.547 6.550 0 1 FKAF O=C1NC2=C(CCC/C2=C\C=C\c2ccccc2)[C@H](/C=C/c2ccccc2)N1 299856112 HUYRLRBRGIBXIB-RXXJEZTGSA-N 368.480 5.459 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1[nH]c2ccccc2c1C3 586989235 BZOVSYLJAKVQCR-UHFFFAOYSA-N 374.399 5.204 0 1 FKAF CC(C)C[C@@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989870 GJWSFNOEPMHEPC-AWEZNQCLSA-N 357.453 5.618 0 1 FKAF Fc1cc(F)c2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2c1 587124437 XEDQZKOKTAMGSW-UHFFFAOYSA-N 374.334 5.173 0 1 FKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2c(Cl)ccnc2[nH]1 587129313 WPPHHXSLHSEZLQ-UHFFFAOYSA-N 362.792 5.339 0 1 FKAF Fc1c(F)c(F)c(/C=C\c2nc3cc4ccccc4cc3[nH]2)c(F)c1F 587133995 HMIOUWFGKZLQAV-WAYWQWQTSA-N 360.285 5.582 0 1 FKAF COc1c(F)cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1F 587134475 GVMVIMPYWUCZTM-UHFFFAOYSA-N 366.367 5.096 0 1 FKAF Cc1cccnc1[C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587518257 DLDAMJXBNGTCCJ-MHECFPHRSA-N 361.485 5.331 0 1 FKAF C[C@@H]1C[C@H](c2ccccc2)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587526836 TXPAOEZGMKVQHQ-HUJREVKFSA-N 360.497 5.873 0 1 FKAF CC(C)[C@@H]1CCC[C@@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604451 TZLJIZXOUWTYNW-CGYQNGNCSA-N 366.457 5.329 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)C(C)(C)C)c(C(F)(F)C(F)(F)F)[nH]c12 587624479 NFWYXSBKKDQPBN-UHFFFAOYSA-N 367.745 6.013 0 1 FKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1CCCC[C@@H]1C 587627573 CZHFRMMCYSZIKG-VIFPVBQESA-N 364.333 5.893 0 1 FKAF O=C(c1c(-c2cccc3ccccc23)[nH]c2ccc(F)c(Cl)c12)C(F)F 587629683 XIDMACBOLPJOTA-UHFFFAOYSA-N 373.761 6.228 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(NC(C)=O)cc3)c2c1 587644041 ZLABTGIDIDIMLZ-ZDUSSCGKSA-N 363.461 5.201 0 1 FKAF Fc1ccc(OCc2nc(-c3cc(F)ccc3F)cs2)c(Cl)c1 587921745 WGQFZCQBKKKZES-UHFFFAOYSA-N 355.768 5.460 0 1 FKAF Fc1cccc(-c2ncc([C@@H]3c4c(F)cccc4C[C@@H]4CCCN43)s2)c1 963097039 FGWCZLLCOZMPDG-OXJNMPFZSA-N 368.452 5.198 0 1 FKAF CC(C)=C[C@H](O)[C@@H](O)[C@@H](C)CCCC(C)=CCc1c[nH]c2ccccc12 2356622596 JMJIEBPTDSDJNZ-TZYHBYERSA-N 355.522 5.151 0 1 FKAF CC(=O)c1ccsc1-c1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1C 13813575 MNWHCSTUQKQXIB-UHFFFAOYSA-N 374.461 6.008 0 3 FKAF aggregator O=C1C[C@H](c2ccco2)Sc2ccccc2N1Cc1ccccc1F 5053389 HUJFCMDTWFXQIQ-LJQANCHMSA-N 353.418 5.189 0 1 FKAF Cc1c(CCN2CCC(c3ccccc3)CC2)c2cccc3c2n1CCC3 13740405 LLBCYSNVDSMMIV-UHFFFAOYSA-N 358.529 5.318 0 1 FKAF CCCN(CCC)CCc1cc(Cl)ccc1OCCCc1ccccc1 13795762 MXRVXVJIPWKDEB-UHFFFAOYSA-N 373.968 6.016 0 1 FKAF CC1(C)CCC[C@]2(C)Oc3cc(/C=C/c4ccc(O)cc4)cc(O)c3C[C@H]12 14825135 NVDNWXIJCXLGEI-LWZQCQJSSA-N 364.485 5.788 0 1 FKAF CCCN1CC=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1 34033728 XGLAAPICLZABCU-UHFFFAOYSA-N 361.464 5.382 0 1 FKAF Cc1cc2[nH]nc(/C=C/c3ccccc3)c2cc1NC(=O)Cc1ccccc1 49116339 VYAAXBSGJBZIIN-OUKQBFOZSA-N 367.452 5.223 0 1 FKAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1[C@H](C)c1ccncc1 73198953 WQDPBSMVTFWJOX-QGZVFWFLSA-N 354.457 5.179 0 1 FKAF CCc1ccc2c(c1)[C@@H](c1ccc(OC)cc1)[C@H](C)[C@@H](c1ccccc1)N2 96913178 KLLPTXAQPYTSFD-AJHZIAPWSA-N 357.497 6.192 0 1 FKAF Cn1s/c(=N/c2ccc(C(C)(C)C)cc2)nc1-c1ccc(Cl)cc1 103168898 WCYWZWUBZWSRRU-DYTRJAOYSA-N 357.910 5.332 0 1 FKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccccc3Cl)cc21 144725537 OVEZLYUBLWCYNS-LJQANCHMSA-N 360.762 5.786 0 1 FKAF COc1cc(N[C@@H](C)CCCN)c2nccc(CCC3CCCCC3)c2c1 169326498 LXMVIIVTFTVQHB-KRWDZBQOSA-N 369.553 5.296 0 1 FKAF CN1CC[C@]2(N3CCCCC3)C[C@@H](c3ccccc3)[C@@H]1[C@@H](c1ccccc1)C2 253683631 PMHZPCFHCUJHCB-FATVKVNYSA-N 374.572 5.277 0 1 FKAF Cc1ccc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)c(O)c1 586990599 GQJXGYKAZJRECU-UHFFFAOYSA-N 367.404 5.141 0 1 FKAF CSc1ccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2c1 587064911 ITMMVGNXFCGPFJ-UHFFFAOYSA-N 368.893 5.408 0 1 FKAF COc1cc(Cl)ccc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587066814 SJSRPJAYKPRHKK-UHFFFAOYSA-N 362.816 5.123 0 1 FKAF Cc1ccnc2[nH]c([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587068589 BHKDQJDHNNEUNB-VYEILGPVSA-N 372.299 5.939 0 1 FKAF Cc1c(Br)cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1C 587084370 KSUJVTGRQFWOGQ-UHFFFAOYSA-N 371.065 5.311 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)[C@@H]3C(=O)O)c1 587364898 AJMKIUPHLXBICQ-SFHVURJKSA-N 373.408 5.116 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C)c(C)c1)(c1cccs1)O2 587413429 NXHGWXCBVOAIEF-JOCHJYFZSA-N 363.482 5.165 0 1 FKAF CO[C@@H](C)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523724 OZQIUCCEFATQQO-NPMXOYFQSA-N 350.458 5.153 0 1 FKAF Cc1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587548006 OQYKMTVVPIREAK-GHTZIAJQSA-N 366.800 5.057 0 1 FKAF CCCC1CCC([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587604010 QNKXHZRGGJPHHW-KFRGIWLWSA-N 366.457 5.329 0 1 FKAF CCc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)F)cc1 587629468 RBRAXLZSRNYGFC-UHFFFAOYSA-N 351.755 5.638 0 1 FKAF CCCCc1c(-c2c(O)cc(OC)c(Cl)c2O)[nH]c2cccc(F)c12 587632857 KSWGUGXIBSXRJW-UHFFFAOYSA-N 363.816 5.390 0 1 FKAF CCCCCC[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812643 KCIVMPXVTXPHPY-UGSOOPFHSA-N 356.323 5.698 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC2CCCCC2)N1 587813932 QTRYUQQVXPLWBY-BFUOFWGJSA-N 368.334 5.698 0 1 FKAF Cc1cccc(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815191 KOMXQVLZDKZTOR-DJJJIMSYSA-N 362.286 5.003 0 1 FKAF Cc1cc(C)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587815816 QKWULRSWPRIZOX-DJJJIMSYSA-N 362.286 5.003 0 1 FKAF CCCCC1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587816916 FUVLQSOLRWHRFX-VFPJAPOESA-N 368.334 5.698 0 1 FKAF COc1ccc(C2(c3nc4cc(C)cc(F)c4[nH]3)CC3(CCC3)C2)cc1 587936042 QCWIWDOGRVWVQL-UHFFFAOYSA-N 350.437 5.269 0 1 FKAF Oc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2C1CCCCC1 653841621 ASFSTFRRRLWVKP-UHFFFAOYSA-N 369.468 5.976 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(OC)c3ccccc23)N1 962950504 NIHGVTSMZODSIN-NPMXOYFQSA-N 356.469 5.343 0 1 FKAF CC(=O)Oc1cc2c(cc1O)O[C@]13CCCC(C)(C)[C@@H]1CC[C@@H](C)[C@@]3(C)C2 2356863656 VHLWWGUJUDALRY-PILHVCALSA-N 372.505 5.254 0 1 FKAF Clc1ccc(-c2cc3nc(NCc4cccc(Cl)c4)ccn3n2)cc1 61907926 ZUEHGMPOVXEIMK-UHFFFAOYSA-N 369.255 5.315 0 3 FKAF CC1(C)CC(=O)c2c([nH]c(-c3ccc(Cl)cc3)c3nc4ccccc4c2-3)C1 751774 VKTAQYIAEKYXJS-UHFFFAOYSA-N 374.871 6.143 0 1 FKAF FC(F)(F)c1ccc(-c2cc(Nc3ccc4cccnc4c3)ncn2)cc1 3926807 BFZXCGOWJMWJHM-UHFFFAOYSA-N 366.346 5.454 0 1 FKAF COc1cccc(OC)c1-c1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3 13531270 CCSCYJFJDDPPKK-HXUWFJFHSA-N 371.480 5.123 0 1 FKAF C[C@@H]1C=C(CCCCCCCCCCCCCc2ccccc2)C(=O)O1 14592906 NLDIZAGVYXETLE-OAQYLSRUSA-N 356.550 6.782 0 1 FKAF biogenic CCc1ccccc1NCc1cccn1-c1sc(C)c(C)c1C(=O)O 21935462 KYDUOMBZOAIWFQ-UHFFFAOYSA-N 354.475 5.028 0 1 FKAF Clc1cccc2c1Oc1ccccc1[C@H]2SCCN1CCCCC1 25971009 CAGMUOLGYNGGLO-HXUWFJFHSA-N 359.922 5.754 0 1 FKAF CC[C@]12CCCn3ccc(c31)-c1cc(Br)ccc1NC(=O)CC2 26273917 IXGQDLPIOLESBT-LJQANCHMSA-N 373.294 5.092 0 1 FKAF Fc1ccc(C[C@H](Nc2nc3cc(Cl)ccc3o2)c2ccccn2)cc1 28011926 CWSFARGGACHTLH-KRWDZBQOSA-N 367.811 5.411 0 1 FKAF Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ncccc2c1C(=O)O 29327753 CZHPPQDMCNLWTO-UHFFFAOYSA-N 358.372 5.110 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)NCCO 38146756 UTJXDMXYAUJWRW-MLFLMRJSSA-N 362.558 5.034 0 1 FKAF CC[C@@H](COc1c(Cl)cccc1Cl)OC(=O)NCc1ccccc1 38288866 KWCHXBDWKVQNSZ-AWEZNQCLSA-N 368.260 5.077 0 1 FKAF CC(C)Oc1cc2c(cc1C(C)C)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 40975089 NUVZNIDQZATGAD-YMPZKCBVSA-N 358.522 5.692 0 1 FKAF CCCCCCN(CCCCCC)C(=O)Cc1coc(-c2ccccc2)n1 72118196 VOBKYGVCQDOCJT-UHFFFAOYSA-N 370.537 5.873 0 1 FKAF O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1cccc(Cl)c1F 95589050 GAGAZMGTRDCGBT-UHFFFAOYSA-N 364.751 5.735 0 1 FKAF CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccccc1 96271733 ZHNWTUFEXOWNBM-UHFFFAOYSA-N 361.445 5.815 0 1 FKAF COc1ccc2cc(CCCCC(=O)C(F)(F)C(F)(F)F)ccc2c1 96915456 NPVPQQBVEIPRBS-UHFFFAOYSA-N 360.322 5.328 0 1 FKAF Cc1c(Cl)ccc2cc3c(nc12)SC(Nc1ccccc1)=NN=C3 98081990 ICMBEVVKAASWJC-UHFFFAOYSA-N 352.850 5.104 0 1 FKAF Cc1cc(Nc2nccc3nc(-c4ccccc4Cl)sc23)nc(C)n1 114604067 GRYIJVOHSRGZOX-UHFFFAOYSA-N 367.865 5.162 0 1 FKAF Nc1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1 143116314 RJMLEEWCSBNXDE-UHFFFAOYSA-N 351.413 5.104 0 1 FKAF CCCCN(CCCC)C(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1 169349614 HOGMBRPULPAKTC-UHFFFAOYSA-N 353.462 5.125 0 1 FKAF Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)CCC2 207719579 QWIOZAZVNUWPFH-UHFFFAOYSA-N 350.412 5.436 0 1 FKAF CC(=O)O[C@@H]1C[C@@H](C)[C@](C)(CC/C(C)=C/C(=O)O)[C@H]2CCC=C(C)[C@]12C 238757313 YAIZAZKACAHJDU-XDRWNGTKSA-N 362.510 5.138 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 586882255 YASKKOROVOCVME-UHFFFAOYSA-N 362.246 5.214 0 1 FKAF Cc1ccc(SCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(C)c1 586964003 UQRYVWANJGEPEJ-UHFFFAOYSA-N 370.827 6.144 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@@H]3Cc4ccccc4S3)nc2c1 587041696 DKGUPJLWDOJNEZ-ZDUSSCGKSA-N 354.784 5.625 0 1 FKAF Cc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2cc1F 587063690 SFURKKFYVUWIRF-UHFFFAOYSA-N 366.823 5.910 0 1 FKAF Fc1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 587082193 HYBXXPALJMQRLX-UHFFFAOYSA-N 373.818 6.238 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc12 587094762 GDYHNHSTZZPZPP-UHFFFAOYSA-N 358.285 5.884 0 1 FKAF FC(F)(F)Sc1ccc(/C=C/c2nc3ccc(Cl)nc3[nH]2)cc1 587123611 FBJGNKRAEVRMGJ-FPYGCLRLSA-N 355.772 5.394 0 1 FKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cncc(Cl)c3[nH]2)cc1F 587150695 NQJMEMYJRLSXJR-SFHVURJKSA-N 371.774 5.058 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1F 587153363 YXLOEVSDSUPKSG-WDEREUQCSA-N 354.278 5.011 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587160608 DRBQNXRWAQXQRC-WDEREUQCSA-N 371.284 5.022 0 1 FKAF COc1cccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587164782 XEXKHJBRDCECBS-NTCAYCPXSA-N 350.418 5.361 0 1 FKAF COc1cc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2cc1Cl 587241812 JZCAUSOWYPUVRI-UHFFFAOYSA-N 371.868 5.267 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2C2CC2)[C@@H]1c1ccc(F)cc1 587355109 SPRLVZVZFRHAQC-LSWJPFSZSA-N 366.432 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C1CCCC1)CC2=O 587490119 RSKHCIKRJQLJNR-QHCPKHFHSA-N 350.458 5.396 0 1 FKAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(C)(C)C 587528115 ZSFGSMKKHUEZPH-QFIPXVFZSA-N 364.485 5.578 0 1 FKAF CCCCC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600941 CBUHXNCRDYAYBJ-VRVFXRSRSA-N 366.457 5.473 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-n3nc(C)c(Br)c3C)c2c1 587639564 ZTNBJCXYTRBWML-SNVBAGLBSA-N 360.299 5.555 0 1 FKAF CC[C@H](C)c1ccc(NC(=O)c2c(C)[nH]c3ccc([C@H](C)CC)cc23)cc1 587642915 PXYAJIABPCRMNM-JKSUJKDBSA-N 362.517 6.756 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(Cl)c2)N1 587729639 HVMGKSYGUVJSSE-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF Cc1ccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587808322 YHPURUOJNUFBDQ-WLRWDXFRSA-N 373.269 5.002 0 1 FKAF CC[C@@H]1CCC[C@H]([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 587823386 PJNPNHGNGXXSKL-CVXDAYKESA-N 354.307 5.380 0 1 FKAF CSc1ccc(-c2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 587926250 WSBARAPOKYYBBG-UHFFFAOYSA-N 351.418 6.218 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2Cl)nc2c1Cc1ccccc1-2 653735654 IKPNOXLGCTVEIU-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF CCCC[C@]1(c2ccc(O)cc2)c2cccc(Br)c2CCN1C 963281387 RXYYBVJKPNFALL-FQEVSTJZSA-N 374.322 5.076 0 1 FKAF CC(=O)Nc1ccccc1-c1cccc2c1[nH]c1c(Cl)c(Cl)ccc12 1857642577 NBOLCRLYNDUVOP-UHFFFAOYSA-N 369.251 6.253 0 1 FKAF Cc1cccc2ccc3c(c12)CC[C@]1(C)C3=CC[C@@H]1[C@@H](C)C=C[C@@H](C)C(C)C 2356719707 FPQQKAKTGXPOSV-AFOFSFCSSA-N 372.596 7.988 0 1 FKAF CC(C)c1cc(-c2cc(-c3ccc(Cl)cc3)on2)nc(NCC2CC2)n1 13660280 IKONBFRZFIVWDR-UHFFFAOYSA-N 368.868 5.397 0 3 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC[C@@H]1n1cnnc1 13586647 MRJVMRQEDQFTGR-NLUQSVONSA-N 367.493 5.045 0 1 FKAF FC(F)(F)Oc1ccc(NC(=S)c2cnoc2C2CCCCC2)cc1 26286261 PEXKYQDXFOAMNC-UHFFFAOYSA-N 370.396 5.409 0 1 FKAF CC(=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C 28646892 XMLBAYOXFRLETR-YESCZNMVSA-N 356.550 5.584 0 1 FKAF C/C=C(\c1ccccc1OCc1ccc(Cl)cc1Cl)n1ccnc1 28765152 IFZMLCWQHUAOIW-LPRJTOQXSA-N 359.256 5.678 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2[C@H](C)CCC1 33827479 XOZQPDXSJUBMOT-RCCFBDPRSA-N 370.577 7.457 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H]1C[C@H]1O 40407155 LZHCSJBKBARIFQ-OXAAUTCPSA-N 359.554 5.382 0 1 FKAF in-vivo Cc1ccc2c(c1)/N=C/c1ccccc1/C=N/c1cc(C)ccc1OCCO2 43011636 FOTZKQHJDWCLEY-RYQLWAFASA-N 370.452 5.576 0 1 FKAF Cc1c(Cl)ccc2c1NC(=O)[C@]2(c1ccc(O)cc1)C1CCCCCC1 64548786 CYTNPJIHWGVIKY-QFIPXVFZSA-N 369.892 5.563 0 1 FKAF COc1cccc(Nc2ccc(Oc3ncccc3C(F)(F)F)cc2)n1 139278008 JEOMZJURSXBXMW-UHFFFAOYSA-N 361.323 5.040 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2Cc1ccccn1 253634258 LYEZZXKWQAOTRN-QCPNHMKVSA-N 363.545 5.484 0 1 FKAF Cc1cncc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 587015646 UPEFXBMOLIUKRY-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF CC[C@@H](C)[C@@H]1CC(=O)Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587101877 WWOWAGGOGUCEGZ-YJYMSZOUSA-N 369.464 5.400 0 1 FKAF O=C1c2ccccc2-c2cc(Cc3ccc(F)cc3Cl)nc3cccc1c23 587102639 CINBWLQSWJILLF-UHFFFAOYSA-N 373.814 5.830 0 1 FKAF CCc1c(-c2cn(CC)nc2C)nc2cccc3c2c1-c1ccccc1C3=O 587105234 UAGAHXDIQMHWDI-UHFFFAOYSA-N 367.452 5.200 0 1 FKAF CC(C)(C)c1cccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587136308 NBSRWQZTYFNDOZ-UHFFFAOYSA-N 365.221 5.568 0 1 FKAF CSc1ccc2nc(-c3cc(F)c(C)cc3Br)[nH]c2c1 587137880 PYJGUZVONZVXLM-UHFFFAOYSA-N 351.244 5.162 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4c(C)cnc(Cl)c4[nH]3)c2)c1 587160566 WNDLBOYOLBGZRF-UHFFFAOYSA-N 367.811 5.401 0 1 FKAF Fc1ccc(/C=C(\c2nc3cccc(Cl)c3[nH]2)c2cccs2)cc1 587163406 IQDUTTJQNPYIAI-KAMYIIQDSA-N 354.837 6.006 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccccc3C3CCC3)nc3cccc1c23 587207363 RNDVYWKSJRIPRD-UHFFFAOYSA-N 361.444 6.381 0 1 FKAF FC(F)(Br)c1nc2cccc3c2c(c1Cc1ccccc1)CC3 587209309 MYXFVKPJFKFRPQ-UHFFFAOYSA-N 374.228 5.368 0 1 FKAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)(C1CCCCC1)[C@@H](C2)C3=O 587446173 UVMFQLFSZQYCTA-GBXCKJPGSA-N 362.469 5.004 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(CC/C=C(\C)CCC=C(C)C)[C@@H](C2)C3=O 587446515 YFGXKSZBDIBYDH-HLJDOGQASA-N 354.490 5.674 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c1ccc1ccccc13)CC2=O 587483879 MTQURXVVMUIRQS-JOCHJYFZSA-N 371.436 5.686 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCSc3ccc(C)cc31)CC2=O 587494199 JDNXESVQCKEYFO-NRFANRHFSA-N 354.471 5.010 0 1 FKAF O=C1C[C@H](c2cc(Cl)c(Cl)cc2O)Oc2c1ccc1c2CCCC1 587510417 YZHUQGWHHGCZDZ-GOSISDBHSA-N 363.240 5.284 0 1 FKAF CC(C)(C)[C@]1(c2ccc3c(c2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587525186 QPZVAWIZXRGPTL-AREMUKBSSA-N 374.524 5.961 0 1 FKAF O=C1C[C@]2(CCSc3c(Cl)cccc32)Oc2c1ccc1c2CCCC1 587537745 JXJIDJZSWWNRIA-NRFANRHFSA-N 370.901 5.575 0 1 FKAF CC[C@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603719 RCMQDKBNGUSSCD-SIKLNZKXSA-N 352.430 5.083 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccn3)c(C(=O)c3ccccn3)c2c1 587644310 UFRWZIXDWLYOOO-OAHLLOKOSA-N 355.441 5.369 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(F)c2)N1 587724004 DIHZOKOVZBKDNU-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF CCCCC1(CCCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587813500 OEDZSOFRHFPMRW-CYBMUJFWSA-N 356.323 5.698 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(C)C3(C)C)N1 587819643 WFUHHOGLPLTXBI-PMWUCFBVSA-N 366.318 5.164 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1CCCC[C@@H]1C2(C)C 587830653 VUYUSORISDJSEI-KHIGERABSA-N 366.318 5.164 0 1 FKAF COc1ccc2c(c1)C[C@H](c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)CC2 587938602 ZCZOZRJYGVQZDO-LLVKDONJSA-N 364.342 5.002 0 1 FKAF COc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1OC 587949275 DQXNIUQKQZNMSK-SEYXRHQNSA-N 372.424 5.543 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(Cc2cc(Cl)cnc2Cl)N1 962946828 AZPVADKFABJYEY-XOBRGWDASA-N 374.315 5.252 0 1 FKAF COc1ccc(-c2cc(OC(C)=O)c3c(-c4ccccc4)c(N)oc3c2)cc1 1772606508 KXEXTQDMUJUNPJ-UHFFFAOYSA-N 373.408 5.283 0 1 FKAF CCC(CC)Nc1cc(C)nc2c(-c3ccc(Cl)cc3C)c(C)nn12 1772653834 CBQJSRIHFFJHQC-UHFFFAOYSA-N 356.901 5.575 0 1 FKAF CN1N=C(c2ccncc2)C[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 1857632337 OSFSEWXGSKBSJN-NRFANRHFSA-N 352.441 5.011 0 1 FKAF CO[C@]1(C)CC[C@]2(C)[C@H](OC(C)=O)C[C@]3(C)[C@H](C(C)C)CC[C@@H]3[C@@]23C[C@H]13 2356395787 WQESESDLEKDWLI-KCEDCJHVSA-N 362.554 5.222 0 1 FKAF CCCC=CC[C@@H](O)CCCCCCCCCCCCCCCCCO 2356484861 JYZDOSWMZPZDMV-XMMPIXPASA-N 368.646 7.328 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCOc1ccc2oc(=O)ccc2c1 2356743522 JAASWVRGXJPPHR-UHFFFAOYSA-N 366.501 6.591 0 1 FKAF CCCCCC1=C[C@H](O)C=CCC=C(CC[C@@H](C)CCCC(=O)O)O1 2356820648 FNADGMSSLFUCRL-ZWKOTPCHSA-N 350.499 5.343 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)n2ccnc2)C(C)(C)CCC1 13586653 FOWCGRQAXBVBOF-BDABQLGYSA-N 350.506 6.055 0 1 FKAF CC(C)c1ccc(O[C@](C)(C(=O)O)[C@@H]2CCc3cc(Cl)ccc32)cc1 13604945 DKPBVAWRUCRJLI-CTNGQTDRSA-N 358.865 5.416 0 1 FKAF FC(F)(F)c1ccc(-c2cc(Oc3ccc4cccnc4c3)ncn2)cc1 14974059 DZYBFXREOYZBSZ-UHFFFAOYSA-N 367.330 5.503 0 1 FKAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2C[C@H]1C2(C)C 27554470 PSDQYGKBECOLJX-HRUISTIBSA-N 362.554 5.593 0 1 FKAF Clc1ccc(Cl)c(Cn2cnnc2-c2cccc(Cl)c2Cl)c1 28898138 CWPGEZRCELDUIC-UHFFFAOYSA-N 373.070 5.607 0 1 FKAF CC(C)c1ccc(O[C@H](CCn2ccnc2)c2ccc(Cl)cc2)cc1 40864762 CASHJYAPTPNWCS-OAQYLSRUSA-N 354.881 5.870 0 1 FKAF Clc1ccc(-c2nc(N3CCCC3)nc3c2CCc2ccccc2-3)cc1 45317120 VOLMHQYPQRYXTK-UHFFFAOYSA-N 361.876 5.163 0 1 FKAF CCCO[C@H](c1ccc(Cl)c(Cl)c1)[C@@H](OC(C)(C)C)n1ccnc1 45390762 QQILTWWBPOTEJI-IAGOWNOFSA-N 371.308 5.672 0 1 FKAF O=C(NCCSCc1ccc(Cl)cc1)c1c(Cl)cccc1Cl 49808434 XAFFAWYKLGCFOX-UHFFFAOYSA-N 374.720 5.310 0 1 FKAF O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1 63539417 WQFGNANQTYLQBP-UHFFFAOYSA-N 370.424 5.245 0 1 FKAF COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1CCC(C)C 64572981 TXDIOTGVPXZVFP-UHFFFAOYSA-N 356.849 5.711 0 1 FKAF C[C@H]1C[C@H](Nc2cncc(Oc3cccc4cccnc34)n2)CC(C)(C)C1 82068849 CYQXDVWAQVZYCP-RDJZCZTQSA-N 362.477 5.444 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccsc3)c2)cc1 95557051 UZGRKHFOWVOLNE-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF Cc1ccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Cl)s1 95584408 IIHIBLPQYFEUHM-LJQANCHMSA-N 368.889 5.505 0 1 FKAF c1ccc2c(c1)ccn2CCCCN1[C@@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2 100758127 RLKBETCYPSXCSX-NTKDMRAZSA-N 369.512 5.665 0 1 FKAF CC[C@@H](COc1cccc(C(F)(F)F)c1)OC(=O)Nc1ccccc1 103192561 OSAKQNBACLVIGL-HNNXBMFYSA-N 353.340 5.112 0 1 FKAF C[C@H](CC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 142114935 SWMSOIZTIBYYLK-OZECAXSSSA-N 374.609 5.723 0 1 FKAF COc1cc2ccn(-c3ccc(C#N)c(Nc4ccccc4)c3)c2cc1OC 143453803 PISPXYICUJRRGH-UHFFFAOYSA-N 369.424 5.263 0 1 FKAF C[C@H]1CCCN1[C@@H]1CC[C@H](c2ccc(NC(=O)c3ccc(F)cc3)cc2)C1 147060037 UNCNQMSQVFFOKL-XWFZLUIHSA-N 366.480 5.198 0 1 FKAF COC1=CC2=N/C1=C\c1ccc([nH]1)CCCC/C=C\CCCc1ccc2o1 169692414 HJMNUBVHAOYKGT-WBWAEHBXSA-N 362.473 5.587 0 1 FKAF CC(C)C[C@@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1CC[C@@H]1C[C@H]2CC[C@H]1C2 253791476 SGIBUXSDRUUCRC-LHLZYUOTSA-N 371.613 5.164 0 1 FKAF COc1ccccc1Nc1nc(C2C3CC4CC(C3)CC2C4)c(C)s1 299821282 JPWLNAHEFYJPIF-UHFFFAOYSA-N 354.519 5.743 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 586881440 LSEIORHWKATXLI-UHFFFAOYSA-N 361.258 5.819 0 1 FKAF Cc1c(Br)cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1C 586884521 QOCRMHHTHVRVDN-PJHJGJPPSA-N 359.311 5.410 0 1 FKAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3ccccc3cc2[nH]1 587081348 ZKAPAWOOMQWVDO-KRWDZBQOSA-N 360.848 5.093 0 1 FKAF O=C1C[C@H](C(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 587520941 BJCFXUOBIRMJLO-XMMPIXPASA-N 368.476 5.731 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)Nc3ccccc3)c2c1 587643279 SRIGFQLSLXBGAV-QGZVFWFLSA-N 368.480 6.601 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2C2CC2)N1 587815935 RMGKHXRQFQLWHH-FKIZINRSSA-N 374.297 5.263 0 1 FKAF Cc1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)c(Br)c1 587922124 HZGPTLDGUBBJOC-UHFFFAOYSA-N 366.230 5.826 0 1 FKAF N[C@H](N=O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587950211 QJRQIIPGNHMPLC-UFSNDUKISA-N 370.412 5.249 0 1 FKAF Clc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1Cl 587950437 LQRRDLNJHBGSAA-UHFFFAOYSA-N 351.277 5.355 0 1 FKAF FC(F)(F)c1c(Br)ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12 587966836 HAGDRDPCWLCWPQ-DJLDLDEBSA-N 357.173 5.024 0 1 FKAF CCCN1[C@H](c2cn(-c3cccc(F)c3)nc2C)c2ccccc2C[C@H]1C 963227562 JPKWNGFTFMTEHT-MWTRTKDXSA-N 363.480 5.066 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cc(C)ccn1)c1ccccc1C 963228622 MCDLRMPRTNUDHY-RLWLMLJZSA-N 370.540 5.647 0 1 FKAF CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(NC(C)=O)c(C)c1 1857610951 ABEBCBVFJORWKL-UHFFFAOYSA-N 353.506 5.854 0 1 FKAF CC(C)[C@@H]1N=C(c2ccccc2)c2cc(-c3ccccc3)ccc2NC1=S 1857644734 UKFMPJXGBKUAQW-QFIPXVFZSA-N 370.521 5.969 0 1 FKAF Cn1cc(-c2ccc3occ(-c4cccc(Oc5ccccc5)c4)c3n2)cn1 2382229977 RDHFKBABHOAOCH-UHFFFAOYSA-N 367.408 5.688 0 1 FKAF CC(=O)c1ccc2c(c1)N(Cc1ccc3ccccc3c1)C(=O)[C@H](C)S2 61908976 OFQPTKFOLGOMDM-HNNXBMFYSA-N 361.466 5.070 0 3 FKAF CC(C)c1ccc(CNc2nc(NCC3CC3)nc3ccsc23)cc1 61926519 ODXARODNLXWKEL-UHFFFAOYSA-N 352.507 5.249 0 3 FKAF COc1ccccc1Cc1c(C2CCCCC2)nc2ccc(Cl)cn12 72139792 PAINJZJNGJKJHS-UHFFFAOYSA-N 354.881 5.635 0 3 FKAF CC1(C)C2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@]4(C)O)[C@@]2(C)Cc2cnoc21 1303770 AXLOCHLTNQDFFS-KZDMPFIVSA-N 355.522 5.038 0 1 FKAF COc1ccc(Oc2nc3cc(C(F)(F)F)ccc3nc2C(C)C)cc1 1659556 CHGNJAAILDTOER-UHFFFAOYSA-N 362.351 5.573 0 1 FKAF CCCCCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27557348 MHABHCAJOQWEKI-JQHSSLGASA-N 374.546 5.618 0 1 FKAF COc1ccc(Cn2c3c(c4ccccc4c2=O)[C@@H](C)c2ccccc2-3)cc1 29129431 HIDMGQGKIDJCNR-INIZCTEOSA-N 367.448 5.191 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC=C2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820864 KQRUDKQAQBGZRY-FVZQQHRNSA-N 372.549 5.635 0 1 FKAF Fc1ccc(-c2nn3cc(C(F)(F)F)ccc3c2-c2ccncc2)cc1 34336254 ORVXSLITIZZMFZ-UHFFFAOYSA-N 357.310 5.221 0 1 FKAF CCC(CC)(CC)c1cc(-c2ccc(/C=C/C(=O)O)cc2Cl)ccc1O 40864884 APBISRKAAZZLPB-XYOKQWHBSA-N 372.892 6.278 0 1 FKAF Clc1ccc(OCOc2ccc(Cl)c3cccnc23)c2ncccc12 40918337 LXSWURNDGSINFQ-UHFFFAOYSA-N 371.223 5.505 0 1 FKAF CCNC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 45366413 CAWUHEHDXFHYHM-RNMMLGTLSA-N 359.598 5.172 0 1 FKAF CCCCCc1cc(NC(=O)OC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 45388210 SAKDMMKLUSBZCX-QZTJIDSGSA-N 371.521 6.209 0 1 FKAF CCN(Cc1coc(-c2cccc(OC)c2)n1)c1cccc2ccccc12 72185213 OAMUFNRRXFXTBN-UHFFFAOYSA-N 358.441 5.530 0 1 FKAF O[C@@](c1cccnc1)(c1cccc(C(F)(F)F)c1)c1ccccc1Cl 72186074 PZPOGWAOBATEMZ-GOSISDBHSA-N 363.766 5.038 0 1 FKAF CCCCc1ccc(-c2cc(N[C@@H](C)CCCN(CC)CC)ncn2)cc1 82161800 OWJYCBOEJMHPAT-IBGZPJMESA-N 368.569 5.409 0 1 FKAF CCOC(=O)/C=C/c1c(OC)ccc2cc(-c3cccc(OC)c3)ccc12 96174244 WCLQUDCFQAVYPS-ACCUITESSA-N 362.425 5.100 0 1 FKAF CCC/C=C(\C)CSC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253638124 OISADBQASBHBLJ-IUYIMIEJSA-N 366.567 5.461 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3cccc(O)c3)c2)cc1 299825751 CFBHXVGIJPXMDZ-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF OCCCCCCCCCCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586894590 NNESKCQOVRSLOW-UHFFFAOYSA-N 374.422 5.767 0 1 FKAF CCc1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1Br 586978282 ZEHPJQIAFUBVED-UHFFFAOYSA-N 371.065 5.257 0 1 FKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc3ccccc3cc2[nH]1 587075977 PISKBDXKABZCPP-UHFFFAOYSA-N 358.832 5.531 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](C(C)C)[C@H]4C)-c1ccccc1C2=O 587101807 WGBDLINXVYIOKR-HZPDHXFCSA-N 355.481 6.077 0 1 FKAF COc1cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2cc1C 587145121 IHCVDSBMLZJBKR-UHFFFAOYSA-N 350.368 5.492 0 1 FKAF CC[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356819 RYHBCDBJWPJMID-IFMALSPDSA-N 354.421 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3cc(O)ccc3c1)CC2=O 587477251 FDDKIPPGMUTEJG-QHCPKHFHSA-N 362.425 5.084 0 1 FKAF COc1cc(C)c(Cl)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587510366 YRCQLEPVIZSXEF-QFIPXVFZSA-N 370.876 5.416 0 1 FKAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1SC 587532159 LQRUFLRQBJOZFO-QFIPXVFZSA-N 368.498 5.177 0 1 FKAF CCCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587613853 QTVNAXNDUAKBTM-NQIIRXRSSA-N 366.438 5.109 0 1 FKAF CCc1[nH]c2cc(Cl)c(F)cc2c1-c1ccccc1Br 587628962 WPWCEKWZCBPDND-UHFFFAOYSA-N 352.634 5.952 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(Cl)c2)N1 587717573 LHRSEWFSQFWAIK-VPTHRUTESA-N 372.640 5.004 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](C3CCCC3)C2)N1 587819677 WMFCIKHMSPDABI-YFROIQMUSA-N 366.318 5.308 0 1 FKAF Cc1ccc([C@H](C)[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587820734 QMDXKIHOMIKAIW-WTOJCKNJSA-N 362.286 5.276 0 1 FKAF Cc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587821433 VABLFJMMAXAETD-YJYMSZOUSA-N 362.286 5.137 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C)CC(C)(C)C2)N1 587822357 JYVHGVHEUVBAEJ-GFCCVEGCSA-N 368.334 5.554 0 1 FKAF CC[C@]1(c2ccc(C)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 587844498 AYMHYYZFLQICLM-BMLIUANNSA-N 368.315 5.146 0 1 FKAF COc1cccc([C@H](C)Cc2nc3cc(Br)c(C)c(C)c3[nH]2)c1 587931893 PEGALXWGGQWFCL-LLVKDONJSA-N 373.294 5.297 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3cc(OC(C)C)ccc3[nH]2)cc1 587933117 UDZLSWSAWDLCEL-UHFFFAOYSA-N 358.441 5.693 0 1 FKAF CSc1nn2cc(-c3cc4c(Cl)cc(Cl)cc4o3)nc2s1 653666691 LERPUYRTEAHAKM-UHFFFAOYSA-N 356.259 5.233 0 1 FKAF COc1cccc(CC[C@]2(C3CC3)c3c(F)cccc3C[C@H]3CCCN32)c1 963105334 PQYBUHLZNHBJSF-YKSBVNFPSA-N 365.492 5.093 0 1 FKAF CCCCC[C@]1(c2ccc(O)cc2)c2ccccc2C[C@H](C)N1CCC 963230777 AIWQCJDYMAFNKF-CYFREDJKSA-N 351.534 5.873 0 1 FKAF FC1(F)CCN(Cc2ccc3ccccc3c2)C[C@H]1CCc1ccccc1 1772576154 QGYSVFJCSLYRMY-HSZRJFAPSA-N 365.467 5.930 0 1 FKAF C[C@@]12C=C(C=Cc3ccc(F)cc3)[C@@](C)(C1)[C@H](c1ccc(F)cc1)CC2=O 1857622723 MLERNJKRLAOFMP-QPTUXGOLSA-N 364.435 6.077 0 1 FKAF COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)cc2Cl)c1 1857632980 ZNZVAWPPCUFOIJ-UHFFFAOYSA-N 369.804 5.099 0 1 FKAF Fc1ccc2nc(Cc3c[nH]c4c(F)cccc34)n(Cc3ccccc3)c2c1 2382251078 BZDRNJPFHBMPEC-UHFFFAOYSA-N 373.406 5.435 0 1 FKAF CC(C)=CCN1Cc2cccc3nc(Sc4ccccc4)n(c23)C[C@@H]1C 5890738 ZBJVYFQKNIPWPO-KRWDZBQOSA-N 363.530 5.358 0 1 FKAF COc1ccc(CCC2=N[C@@H](c3ccccc3)c3ccccc3CN2C)cc1 13600221 HOMJVOLHOZINBG-VWLOTQADSA-N 370.496 5.261 0 1 FKAF N=C(N)c1ccc2cc([C@H]3C[C@@H]3c3ccccc3)cc(Br)c2c1 28366608 PDOPCKAPHCDUPT-IAGOWNOFSA-N 365.274 5.157 0 1 FKAF O=C(O)c1ccc(Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 40845713 GZROVPOFVKHQPN-UHFFFAOYSA-N 364.348 5.271 0 1 FKAF Fc1cc(Br)ccc1Nc1ncnc2c1sc1ccccc12 95573543 KKMLAYUJWHOJQF-UHFFFAOYSA-N 374.238 5.490 0 1 FKAF CC(C)c1c(O[C@@H]2CCCC[C@H]2C)cc(Cc2ccc(F)cc2)[nH]c1=O 95591879 MUDYHJQHRRARHV-DNVCBOLYSA-N 357.469 5.186 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c3c(c(=O)oc2c1)CC[C@@H](C)C3 169324290 MXLFYAKWJFGPKE-OAHLLOKOSA-N 356.506 5.871 0 1 FKAF O[C@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccccc1Cl 587058471 GRDHCBYPLDZWET-IBGZPJMESA-N 366.873 5.449 0 1 FKAF Cc1ccc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)cc1C 587099619 PCFOJRQSNKDESA-UHFFFAOYSA-N 363.460 6.347 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587154531 DCUINUVRDBQDAB-CQSZACIVSA-N 372.749 5.904 0 1 FKAF O=C(CCc1ccccc1Br)c1coc2ccc(Cl)cc12 587276500 RDHQBRUDGMPCGW-UHFFFAOYSA-N 363.638 5.664 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3C)c1 587366881 NWGSCKXGXLQHLM-ZDUSSCGKSA-N 357.409 5.275 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1C(F)(F)F)CC2=O 587459586 DJJRHXCARVGPJD-LJQANCHMSA-N 364.363 5.244 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(C)C)cc1)CC2=O 587486765 ZXTYVXIOUBLCJV-OAQYLSRUSA-N 354.446 5.086 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1oc3ccccc3c1CC)CC2=O 587487020 YHSRQWPIUHDFPI-HSZRJFAPSA-N 364.441 5.534 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(C3CCCC3)s1)CC2=O 587493353 FFMLOWMGHOLCSL-QGZVFWFLSA-N 357.475 5.165 0 1 FKAF C[C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502835 BLCRQBPNCPMKNU-RNODOKPDSA-N 374.402 5.722 0 1 FKAF CC(C)(C)c1[nH]c2cccc(F)c2c1Cc1cccc(Br)c1 587632076 DMLLIDVHANETMV-UHFFFAOYSA-N 360.270 5.958 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cc3ccccc3s2)n1 653760514 OCOFPPVKDGCIOJ-LJQANCHMSA-N 371.509 6.156 0 1 FKAF Cc1cccc([C@@H]2[C@H]3C(=NN2C)c2ccccc2O[C@@H]3c2ccccc2)c1 653893428 HITQDIVXKKINQX-GMKZXUHWSA-N 354.453 5.136 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCCc3cc(OC)ccc32)N1 962962641 YGGWOBQASOQSQY-OSPHWJPCSA-N 360.501 5.071 0 1 FKAF CCCCCC[C@@]1(c2ccco2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963606442 HQPAPZRTXZMFFT-ZHRRBRCNSA-N 357.494 5.045 0 1 FKAF Cc1cc(-c2nc(F)cc3c(Nc4cccc(Cl)c4)c(N)oc23)ccn1 1857655384 IRXOYWIUBDIJAH-UHFFFAOYSA-N 368.799 5.317 0 1 FKAF COc1ccc(SC[C@H](C)CN2CC[C@H](C(C)(C)C)CCC2=O)cc1 36382974 JYPZKHGNZJDHOU-IAGOWNOFSA-N 363.567 5.098 0 3 FKAF COc1cccc([C@@H](N)c2nc(-c3csc4ccccc34)cs2)c1 61930489 BHYHJQJIHXVQSM-GOSISDBHSA-N 352.484 5.082 0 3 FKAF CCCC[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2cccc3ccccc23)O1 72136777 PTUXSIBYNPNPKE-IERDGZPVSA-N 366.457 5.424 0 3 FKAF CCO[P@](=O)(O)CCCCn1c(-c2cccnc2)c(C)c2ccccc21 13542840 GVNBFYISASLONH-UHFFFAOYSA-N 372.405 5.014 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](Cc1ccccc1)[C@@H]2O 13835231 BLOLGUACGJBTQO-SKKBRJBHSA-N 362.513 5.078 0 1 FKAF in-vitro O=c1oc2ccccc2c2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 26638587 HYJSBIKGEFBBQJ-UHFFFAOYSA-N 371.823 6.057 0 1 FKAF CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Oc2ccccc2F)cc13 28229895 YZQZXLROYFNFQE-QTGUNEKASA-N 351.465 5.306 0 1 FKAF CC(C)CNCc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1 45303105 KARNAGDVURJWLT-UHFFFAOYSA-N 355.485 5.643 0 1 FKAF C[C@@H](CNc1cc(Oc2cccc3cccnc23)ncn1)c1ccccc1 82068402 MFXVUCFRJCYWSJ-INIZCTEOSA-N 356.429 5.033 0 1 FKAF Cn1c2ccccc2c2cc([C@@H]3CC(c4ccc(F)cc4F)=NN3)ccc21 84689985 IZNQIPVRRXMFCT-IBGZPJMESA-N 361.395 5.048 0 1 FKAF CCOc1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1 95584814 QLYADQBZTPCMEJ-UHFFFAOYSA-N 363.526 5.069 0 1 FKAF C[C@H](NC(=O)[C@@]1(C2CCCC2)CC1(Cl)Cl)c1ccc(Cl)cc1 103293195 FCBPAVBVTODMLA-ZBEGNZNMSA-N 360.712 5.271 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CC[C@H](C)C(=O)NCCC 169334158 SVGIWYPVOLFGAQ-UMWFZMJJSA-N 359.598 6.904 0 1 FKAF CC[C@]1(C)C[C@@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 586891566 RWRSEPGBGGWWRQ-KZULUSFZSA-N 365.315 5.654 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC[C@H](C(F)F)C4)-c1ccccc1C2=O 586995498 LGWCAGOMIYGZSK-ZDUSSCGKSA-N 363.407 5.515 0 1 FKAF FC(F)(F)[C@@](F)(Cl)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587089683 GCGOKSGJCMIAQG-OAHLLOKOSA-N 358.722 5.065 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(Cl)s1)CC2=O 587492023 ADNFCNOSWRAFGX-IBGZPJMESA-N 364.894 5.416 0 1 FKAF CCO[C@@H](C)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521713 JIPDRINDQBSWQO-FYSMJZIKSA-N 364.485 5.544 0 1 FKAF O=C1C[C@@H](c2ccccc2C2CCCCC2)Oc2c1ccc1c2CCCC1 587522764 GYWRQFZXSCSXNG-DEOSSOPVSA-N 360.497 6.320 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c([C@H](C)NC(=O)OC(C)(C)C)c(CCOC)c2c1 587641893 IJDFTUVDPIKECW-CABCVRRESA-N 374.525 5.456 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3ccc4ncccc4c3[nH]2)c1 587780441 UMNLLDPXZFFLQM-UHFFFAOYSA-N 365.436 5.844 0 1 FKAF C/C(=C\c1nc2cc(Br)cc(C(=O)O)c2[nH]1)C1CCCCC1 587969157 VOPIWEJSALFLCH-JXMROGBWSA-N 363.255 5.007 0 1 FKAF O=C1CCC(c2ccccc2)(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 587970199 DBUWWIVTDOIRMJ-UHFFFAOYSA-N 359.256 5.299 0 1 FKAF CCc1ccc([C@@H]2CCC[C@]3(C2)N[C@@H](CC)Cc2c3[nH]c3ccccc23)cc1 962942882 CSRNGICTMQUMDC-YZIHRLCOSA-N 372.556 6.208 0 1 FKAF C[C@H](Oc1ccc(CNc2cccc(C(=O)O)c2)cc1)c1ccc(F)cc1 1857557006 HYWMNVVALUODQL-HNNXBMFYSA-N 365.404 5.276 0 1 FKAF CCCCCCOc1ccc(C(=O)CC[N@@]2C[C@H]2C)c(Cl)c1Cl 1857742127 QPYPZIGCECYCFX-ASSNKEHSSA-N 358.309 5.229 0 1 FKAF Cc1c(O)cc(CCCCC=CCCCCc2cc(O)cc(O)c2)cc1O 2356340082 GXROMGZIUCZBLI-UHFFFAOYSA-N 370.489 5.499 0 1 FKAF CC(C)=C[C@H]1C[C@@](C)(C=Cc2ccc3[nH]ccc3c2)c2cc3[nH]ccc3cc21 2356607199 FAQRBHZNMOOHPZ-HFZDXXHNSA-N 366.508 7.074 0 1 FKAF O=C(O)Cc1ccccc1Oc1c(Cl)c(Cl)cc(Cl)c1Cl 2021286 GHGPBRILEYTPSN-UHFFFAOYSA-N 366.027 5.720 0 1 FKAF O=C(C[C@@H](C(=O)c1cccs1)c1cccs1)c1ccccc1Cl 6513790 OFGQJXQGWLPUPY-CYBMUJFWSA-N 360.887 5.703 0 1 FKAF CSc1ccc(-c2[nH]c(-c3ccc(SC)cc3)c3c2CCCC3)cc1 13835368 JTJGXGHOJPIAFH-UHFFFAOYSA-N 365.567 6.671 0 1 FKAF COc1ccc(C[C@@H](C)NC[C@H](c2ccccc2)C2CCCCC2)cc1 27767505 FUMNVHCGJLULAQ-NTKDMRAZSA-N 351.534 5.580 0 1 FKAF COc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccc1Cl 28710728 KCEZJNQJCAEURY-UHFFFAOYSA-N 350.805 5.325 0 1 FKAF Cc1cc(-c2cccc3c(C)c[nH]c23)c(Cl)c2c1NC(C)(C)C[C@H]2C 29043493 PCGWJSDLFYYVRR-CYBMUJFWSA-N 352.909 6.803 0 1 FKAF CCN(CC)CCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1 29476391 PIRAWXDTIQBRGW-UHFFFAOYSA-N 366.530 5.588 0 1 FKAF Clc1ccc([C@H](CCOc2ccccc2)Cn2ccnc2)c(Cl)c1 33493833 TWMDQMMTLSPOEZ-OAHLLOKOSA-N 361.272 5.443 0 1 FKAF C[C@]12CC[C@@H]3c4cc(CCc5ccccc5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O 38215096 REXBXHWOZHMVGH-HPJLMOCUSA-N 374.524 5.603 0 1 FKAF c1ccc2c(-c3ccc4nc(-c5ccc6nc[nH]c6c5)[nH]c4c3)cccc2c1 66074628 NVGZCGNONRVLMI-UHFFFAOYSA-N 360.420 5.926 0 1 FKAF CC1CCC(NCc2ccc3c(c2)CC2=C(c4ccccc4N)N=N[C@H]23)CC1 89469176 KKVQKRNEOAWULZ-AXZBZIEJSA-N 372.516 5.411 0 1 FKAF Cc1ccc(-c2nn(CNc3ccc(Cl)c(Cl)c3)c(=S)o2)cc1 103230758 WLSNJTCWKPJOJL-UHFFFAOYSA-N 366.273 5.557 0 1 FKAF CCOc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1 115759778 WCVXTZMYGRHSEP-UHFFFAOYSA-N 360.388 5.627 0 1 FKAF COc1cc(C(=O)O[C@H]2/C=C(/C)CC/C=C(\C)CC[C@H]2C(C)C)ccc1O 169336981 PQAYAZRCPJMQRB-GKGSAZBYSA-N 372.505 5.665 0 1 FKAF Cc1ccc2c(c1)nc(CN1CCC[C@@H]1C)n2Cc1ccc(Cl)cc1 200517553 BGOQZZKCJFWGFF-INIZCTEOSA-N 353.897 5.031 0 1 FKAF C[C@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)c1ccccc1 255976057 HEXUVKQFPIUPML-QQWJIEJLSA-N 371.524 5.574 0 1 FKAF COc1ccc(-c2ccc(-c3nc4ccccn4c3NC(C)(C)C)cc2)cc1 473113980 KVOOTUJZQLVAMK-UHFFFAOYSA-N 371.484 5.887 0 1 FKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 586887988 JXHNKVVCBKMCSG-QLJPJBMISA-N 368.786 5.381 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2n1 586895176 SIUTXHPKIXCONA-UHFFFAOYSA-N 357.457 5.082 0 1 FKAF Cc1c(-c2cc(F)cc(F)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586995522 LVVMMAQOWFLXFC-UHFFFAOYSA-N 371.386 6.008 0 1 FKAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587027282 ACHJXEHNKSDERT-UHFFFAOYSA-N 366.343 5.148 0 1 FKAF Cc1cncc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587039316 CPEOZUMKCKCVBS-UHFFFAOYSA-N 358.470 5.112 0 1 FKAF Cc1cc(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1C 587100553 CVVSUFBWFMGMJE-UHFFFAOYSA-N 365.432 5.744 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C(Br)=CCC3 587102828 ZEQRMKKVXCEBBD-UHFFFAOYSA-N 362.226 5.128 0 1 FKAF Nc1c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cnc2c(F)cccc12 587176979 YAPYFVCGFDKIRR-UHFFFAOYSA-N 370.387 5.292 0 1 FKAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)o1 587349828 GBCXQQVKELROGQ-IFMALSPDSA-N 366.388 5.015 0 1 FKAF O=C1C[C@@H](c2c(O)[nH]c3ccc(Cl)cc23)Oc2c1ccc1c2CCCC1 587502439 VNBRABUGRVYONS-SFHVURJKSA-N 367.832 5.112 0 1 FKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1F)Cc1coc2ccccc12 1772619961 RUDAVYHGNOHJSE-SNAWJCMRSA-N 363.354 5.736 0 1 FKAF CC(C)(C)C(=O)CSc1nc2ccccc2nc1Cc1ccc(F)cc1 5640370 NJURQYJTPDSBGL-UHFFFAOYSA-N 368.477 5.067 0 1 FKAF Clc1cccc2c1OC[C@H]1C(c3ccccc3)=NN(c3ccccc3)[C@@H]21 5823914 IVBZICOWGJXCMT-RXVVDRJESA-N 360.844 5.314 0 1 FKAF COc1ccc(-c2nc(-c3ccccc3)c(NCc3ccccc3)o2)cc1 8860592 HIMVYIUTFRAENP-UHFFFAOYSA-N 356.425 5.629 0 1 FKAF CCc1c(-c2ccccc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1 13558372 UGSSCJCXCBSURD-UHFFFAOYSA-N 356.425 5.180 0 1 FKAF CC[C@@]1(CC(=O)O)CC[C@H](Cc2ccccc2)c2c1[nH]c1c(C)cccc21 26291043 QQXXLYSSGPILMY-KOSHJBKYSA-N 361.485 5.719 0 1 FKAF C/C=C\C[C@@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 29463866 BSJYFMFPTGYKFE-HCZHMGAMSA-N 361.485 6.369 0 1 FKAF Fc1ccc(-c2[nH]c3cc(C4CCNCC4)ccc3c2-c2ccncc2)cc1 42891440 AIXLZYVZYBHMSA-UHFFFAOYSA-N 371.459 5.503 0 1 FKAF O=C(CC1(Sc2ccccc2)C2CC3CC(C2)CC1C3)C(F)(F)F 68572683 ZPMIGNJAEJOEIO-UHFFFAOYSA-N 354.437 5.495 0 1 FKAF biogenic CC(C)=CCC/C(C)=C\CN1C(=O)[C@]2(C[C@H](C)C[C@H](C)O2)c2ccccc21 73064071 FCLSDSXDBAGLFT-IRNZWBFPSA-N 367.533 5.756 0 1 FKAF c1ccc(Oc2ccccc2-c2nnc3ccc(-c4ccccc4)nn23)cc1 82060443 HOHBCEVZZYFAEU-UHFFFAOYSA-N 364.408 5.251 0 1 FKAF Cc1cccc(-c2nc(N3CCCCC3)ncc2-c2nc(C)c(C)s2)c1 82173321 ANVBBWRMFNEFIP-UHFFFAOYSA-N 364.518 5.183 0 1 FKAF CC(C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936789 BKWBRNDZAJHCMT-KOQQBXJFSA-N 370.621 6.775 0 1 FKAF endogenous,in-man COc1ccc2[nH]c(-c3ccc4cc(O)ccc4c3)c(-c3ccncc3)c2n1 169323363 BQDBCRXWZHBZIF-UHFFFAOYSA-N 367.408 5.159 0 1 FKAF Cc1cc([C@H](O)CN2CCCCCC2)c2nc(-c3ccccc3)ccc2c1 169338163 CFVQCRSMFFENPA-HSZRJFAPSA-N 360.501 5.120 0 1 FKAF CC(C)=CC/C=C(\C)[C@H]1C/C=C(\C)CC/C=C(/C(=O)O)CC/C=C(\C)CC1 238737041 LXXOWRXRMRYPKN-XIMOJEAWSA-N 370.577 7.553 0 1 FKAF Cc1ccc(-c2cc([C@H]3[C@H](c4ccc(C)cc4)C[C@H]4CC[C@H]3N4C)on2)cc1 261115187 IQNHMRJZPKQKFD-BEZYRKKYSA-N 372.512 5.692 0 1 FKAF CCCc1cc(-c2nc(-c3ccc(OCC4CC4)cc3)cs2)ccn1 299827486 KAQHVZKGINQJNF-UHFFFAOYSA-N 350.487 5.613 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)cc2)o1 586902731 GTCDJFNNXJYHPF-UHFFFAOYSA-N 358.319 5.697 0 1 FKAF Clc1ncc(Cl)c2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023996 USBOXWJPSJGCCO-UHFFFAOYSA-N 353.259 5.117 0 1 FKAF Cc1cnc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 587054638 ADKMPNWDDDBMFY-UHFFFAOYSA-N 374.227 5.412 0 1 FKAF Cc1cc(Br)cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587079415 DPJKVLGTEGFOCW-UHFFFAOYSA-N 374.669 5.290 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Cl)c(C(F)(F)F)c1)O2 587381205 HNYLIJTYCWEJRP-KRWDZBQOSA-N 369.770 5.130 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c3cc(C(C)C)ccc(C)c1-3)O2 587407125 XIIBZELWBPNQLK-HSZRJFAPSA-N 373.496 6.129 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1c1ccc(F)cc1)CC2=O 587471640 LSWKJPJGWNJJTC-AVRDEDQJSA-N 354.421 5.156 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)sc1Cl)CC2=O 587493008 PQGCTZOAVVPBHZ-CYBMUJFWSA-N 357.258 5.420 0 1 FKAF CC[C@H](C)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525221 UBGKLFAUVLJXHI-OYHNWAKOSA-N 350.458 5.449 0 1 FKAF Fc1ccc2[nH]cc(-c3[nH]c4ccc(F)c(Cl)c4c3C(F)(F)F)c2c1 587630121 SYMIZEJOSDTYTI-UHFFFAOYSA-N 370.708 6.267 0 1 FKAF C(=C/c1nc2cc3cn[nH]c3cc2[nH]1)\c1ccc(OCc2ccccc2)cc1 587784640 SYVJKXLNUFQCLK-DHZHZOJOSA-N 366.424 5.189 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](c3ccccc3)C2)N1 587818630 RNUGGPBVPTWSHW-OWZDWXTDSA-N 374.297 5.285 0 1 FKAF CC[C@]1(C)C=C[C@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587818981 TZVHGOHIYGCUKI-NXOUGTEYSA-N 352.291 5.084 0 1 FKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(C)cc(Br)c2[nH]1 587932254 WSAQLPXNCDSDKM-ORAYPTAESA-N 371.278 5.088 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc5ccccc5cc4[nH]3)ccc2c1 587934219 FBYYBKLDEBNOPS-OAHLLOKOSA-N 352.437 6.030 0 1 FKAF CC(C)c1csc(NC(=O)C2c3ccccc3Oc3ccccc32)n1 653843989 QHEBYEMECQRJMC-UHFFFAOYSA-N 350.443 5.143 0 1 FKAF CCC[C@]1(Cc2ccccc2)NC2(CC2)Cc2ccc(Br)cc21 961328748 WIPHMOVLVGWFHQ-OAQYLSRUSA-N 370.334 5.366 0 1 FKAF Cc1cccc(CCCc2ccc([C@H]3CC=CC(=O)O3)c3ccccc23)c1 1772583948 XEGYCRNJWACZCN-XMMPIXPASA-N 356.465 5.868 0 1 FKAF Cc1nc(Cl)c(-c2c(F)ccc(Cl)c2F)n1-c1ccc(Cl)cc1 1772650795 MBRZYNLDECLOLS-UHFFFAOYSA-N 373.617 6.086 0 1 FKAF CC(C)N(Cc1cccc(-c2cccnc2)c1)C(=O)c1cc2ccccc2o1 2382253162 RPDXPDRLKFNUBC-UHFFFAOYSA-N 370.452 5.546 0 1 FKAF CC(C)c1cccc(-c2csc([C@](C)(O)c3ccc(F)c(F)c3)n2)c1 61907695 OVFYEODBGFAOEE-HXUWFJFHSA-N 359.441 5.468 0 3 FKAF CCCN(CCC)[C@@H](C)Cc1ccc(OC)c(OCCc2ccccc2)c1 836733 VZFHLHIMVSHSLU-FQEVSTJZSA-N 369.549 5.370 0 1 FKAF Cc1nn(C2CCN(Cc3cccc(Cl)c3)CC2)cc1-c1ccccc1 838767 UGAZJRFHXXPSOK-UHFFFAOYSA-N 365.908 5.349 0 1 FKAF COc1ccc(C(=S)Nc2ccccc2Cl)cc1OC1CCCC1 13736983 TZJUMNXKWAGZNN-UHFFFAOYSA-N 361.894 5.458 0 1 FKAF Cc1cc(C)cc(COC[C@@H](N)C2c3ccccc3CCc3ccccc32)c1 26267326 LBBONNCWIYRZAZ-RUZDIDTESA-N 371.524 5.078 0 1 FKAF CC1=C(CC/C(C)=C/C/C(C)=C/CCC2=CC(=O)O[C@@H]2O)C(C)(C)CCC1 26571529 VABAHJMHZNYJJW-ISPVQSCWSA-N 372.549 6.158 0 1 FKAF c1ccc2cc(CNCCCCNCc3ccc4ccccc4c3)ccc2c1 28258346 CDYDKOJSRRVPGG-UHFFFAOYSA-N 368.524 5.653 0 1 FKAF Fc1ccc2c(C3CCN([C@H]4Cc5cccc6cccc4c56)CC3)c[nH]c2c1 36222031 DVBJVGHTTIHWNV-DEOSSOPVSA-N 370.471 5.937 0 1 FKAF CC(C)CNc1nc(/C=C/c2ccccc2)cc(/C=C/c2ccccc2)n1 40429366 SNFUZHHTZWFYQD-WXUKJITCSA-N 355.485 5.885 0 1 FKAF OC1C[C@@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl 40878130 IWOBORNYYLIANT-YIONKMFJSA-N 362.300 5.071 0 1 FKAF CC(C)[C@@H]1N=C(c2ccccc2)c2ccccc2N(Cc2ccccc2)C1=O 66111673 WVEQYGJNFPZSQC-QHCPKHFHSA-N 368.480 5.095 0 1 FKAF O=c1c(Cl)c(Cl)cnn1/C=C/c1ccc(/C=C\c2ccccc2)cc1 84653242 FJOWVUZWAODKAZ-NQFDUOLLSA-N 369.251 5.348 0 1 FKAF Fc1ccc(C2=N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 84742071 SPXPFHZXLUARDR-QHCPKHFHSA-N 353.396 5.908 0 1 FKAF Cc1ccc(C2=NO[C@@H](c3c[nH]c4ccccc34)[C@H]2CN2CCCCC2)cc1 103289252 MHYREROENGKCHO-URXFXBBRSA-N 373.500 5.054 0 1 FKAF Cc1ccc(/C=C\C2=C[C@@]3(C)C[C@@]2(C)[C@@H](c2ccc(C)cc2)CC3=O)cc1 169355475 VNDABGLWEBDVEO-NECGFXHLSA-N 356.509 6.416 0 1 FKAF COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](C(=O)OC)CC1(C)C 238769537 APNSBFSSOLMCSO-CNZFTSBDSA-N 372.505 5.090 0 1 FKAF Cc1cc(C)c2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc2c1 586958656 HBKVYSLADNDYMM-MHZLTWQESA-N 374.509 5.218 0 1 FKAF Clc1cccc(/C=C/c2nc3ccc(Br)cc3[nH]2)c1Cl 587055098 RQWAACNXOFPSKA-QPJJXVBHSA-N 368.061 5.803 0 1 FKAF Fc1cc(Cl)cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587092571 WKTIRNGBNWXGSG-UHFFFAOYSA-N 361.751 5.072 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(Cl)nc1CC3 587104139 OTTOVAUQQSZLGK-UHFFFAOYSA-N 368.823 5.260 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1ccccn1)CCC3 587105752 HKLSPKHQZMMZAH-QGZVFWFLSA-N 362.432 5.309 0 1 FKAF CSc1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1 587145159 KDGQVWDGXDWSGH-UHFFFAOYSA-N 352.409 5.897 0 1 FKAF CCCCC[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352054 IDOXPMIJGCVLSY-UNMCSNQZSA-N 356.437 5.619 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3ccccc3)cc1)O2 587410460 NCRLFCCJJUKHGG-NRFANRHFSA-N 361.466 5.435 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(F)cc3)o1)CC2=O 587471950 NCYDZNPLIFBNPE-NRFANRHFSA-N 366.388 5.450 0 1 FKAF O=C1C[C@H](c2cc(Cl)cc3cccnc23)Oc2c1ccc1c2CCCC1 587499758 MSPHSGKVQSONKO-HXUWFJFHSA-N 363.844 5.474 0 1 FKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(C)c1OC(F)F 587507436 QAEZVXRYHZLIIZ-IBGZPJMESA-N 372.411 5.490 0 1 FKAF O=C(O)[C@@H]1CCCC[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2cccc(F)c12 587632902 NDNXGSBAEWFJIL-LSDHHAIUSA-N 371.839 5.986 0 1 FKAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587816287 WAFKXVPEZRZOHD-BFUOFWGJSA-N 362.286 5.003 0 1 FKAF CCCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587817392 BQRLXVPDKJNYQO-HXPMCKFVSA-N 362.286 5.164 0 1 FKAF CCC[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(C)C 587955269 MGKXYEXPUKXIKW-SNVBAGLBSA-N 352.322 6.140 0 1 FKAF CCOC(=O)CC[C@]1(C(C)(C)C)NCCc2cccc(-c3ccccc3)c21 962671848 UYMTVNUDFZYJBJ-DEOSSOPVSA-N 365.517 5.084 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(Cc2cc(Cl)cc(Cl)c2)N1 962949499 FWFSBMZKJQXWGQ-KKSFZXQISA-N 373.327 5.857 0 1 FKAF Cc1ccc2nc(-c3ccc(F)c(Cl)c3)c(NCc3ccccc3)n2c1 1772592171 AIZRNNZAMGSEFJ-UHFFFAOYSA-N 365.839 5.714 0 1 FKAF FC(F)(F)c1cccc(Nc2ncc3c(n2)-c2ccccc2SC3)c1 1857651484 VCXNKIFBNKFJEG-UHFFFAOYSA-N 359.376 5.512 0 1 FKAF Cc1nc2ccccc2c(-c2ccc(F)cc2)c1[C@H](OC(C)(C)C)C(=O)O 1857773894 ZQUSJRJSTUBXAB-FQEVSTJZSA-N 367.420 5.290 0 1 FKAF Cc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@@H](C)CCC2=O)cc1 15937255 MLURRNSCNXOXAM-FPOVZHCZSA-N 367.558 5.347 0 3 FKAF CCCCN(C(C)=O)c1ccc2c(c1)[C@H]1C[C@H]2CCN1Cc1ccccc1 103057000 VUVVUBCWFOOBRD-HYBUGGRVSA-N 362.517 5.274 0 3 FKAF CC(C)(C)CC(C)(C)NC(=O)[C@H](Nc1ccccc1)c1ccccc1F 206049458 ZNMAKKZSKRYLND-LJQANCHMSA-N 356.485 5.310 0 3 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(Nc1ccccn1)c1ccccc1 12559619 ZOUQTPPIGLPWOG-YMIBRCGYSA-N 372.449 5.490 0 1 FKAF C/C=C/c1cc(Oc2ccccc2)ccc1OCCO[C@H]1CCCCO1 27312456 WZEBBUGGVPIWFE-DUYAGQRYSA-N 354.446 5.434 0 1 FKAF C[C@H]1CCCCN1CCCn1c2ccccc2c2nc3ccccc3nc21 31848216 ICEFPWZZVBXBQS-KRWDZBQOSA-N 358.489 5.002 0 1 FKAF O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3ccccc3Cl)c12 34435477 AMFRPNXGYXWAMM-UHFFFAOYSA-N 366.756 5.303 0 1 FKAF Cn1cc(CCN(Cc2ccccc2)Cc2ccccc2)c2ccccc21 40428112 LRHCLVBJKHJVFW-UHFFFAOYSA-N 354.497 5.423 0 1 FKAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1CSCC1CCCCC1 40747108 NWFGCXFIIAQPKD-XDPBHTOQSA-N 366.567 5.295 0 1 FKAF Clc1ccc(-c2cn(Cc3cccc(Cl)c3)c3c2CNCC3)cc1 66252659 CFTXZTGBOFLZHR-UHFFFAOYSA-N 357.284 5.156 0 1 FKAF CCCc1cccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)c1 73165560 RAFACPYESRXWOO-UHFFFAOYSA-N 374.362 5.565 0 1 FKAF OC1=C2Sc3cc(Cl)ccc3N=C2C[C@@H](c2ccc(Cl)cc2)C1 100796270 AJKWYZPUXPKHPZ-LLVKDONJSA-N 362.281 6.519 0 1 FKAF CCCC[C@]1(CC)Cc2cccc(NC(=O)c3cccnc3Cl)c2O1 103187012 HPUQRJJMMNTYMD-HXUWFJFHSA-N 358.869 5.261 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](C)(O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141105021 MFZFIPYAPCDNNJ-KFDBPGIZSA-N 365.561 5.869 0 1 FKAF CC(C)=CCC/C(C)=C/Cc1cccc(-c2coc3cc(O)ccc3c2=O)c1 238789891 IIBWPPRAVZEHEB-VCHYOVAHSA-N 374.480 6.401 0 1 FKAF Cc1cc(F)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 586975968 AOLGRHRJXRVTAS-UHFFFAOYSA-N 369.621 5.005 0 1 FKAF Clc1cccc(COc2ccc(/C=C/c3nc4ccccc4[nH]3)cc2)c1 587068912 BKZFSRSQMTZNRO-JLHYYAGUSA-N 360.844 5.966 0 1 FKAF Cc1c(-c2cccc(O)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587100718 FQISKVCQRKVRPW-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1 587114169 XFJNLSMOHOJTCW-UHFFFAOYSA-N 366.342 5.480 0 1 FKAF CCOC(=O)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587145887 UTADVBANCCOAFT-UHFFFAOYSA-N 374.415 5.137 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cccc(OC(F)(F)F)c3[nH]2)c1F 587149748 ARBJFCBPXMDFSX-UWVGGRQHSA-N 354.278 5.011 0 1 FKAF Cc1cc(C)c2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2c1 587159878 WXHWBNGGBFENTF-UHFFFAOYSA-N 356.404 5.325 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cccc(Cl)c3n1)CC2=O 587462719 RPKZDQLZTRBHJY-LJQANCHMSA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1C(C)(C)C)CC2=O 587479228 CKWQHGHVYQCZBY-HSZRJFAPSA-N 352.474 5.523 0 1 FKAF C[C@]1(CCSc2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504193 GNESSHCEMFHBOO-QFIPXVFZSA-N 370.489 5.611 0 1 FKAF CCCCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587507804 SZHNABQUBYFTHM-OAQYLSRUSA-N 368.448 5.590 0 1 FKAF O=C1C[C@H](c2csc3ccc(Cl)nc23)Oc2c1ccc1c2CCCC1 587535587 MHSIAQARAWKJCZ-MRXNPFEDSA-N 369.873 5.535 0 1 FKAF CCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601724 GTKYJCUOECPLEH-OFNKIYASSA-N 360.409 5.049 0 1 FKAF Fc1ccc2c(CCc3ccccc3)c(Cc3ccc(Cl)cc3)[nH]c2c1 587632862 KZQGRZUIBIAEQM-UHFFFAOYSA-N 363.863 6.336 0 1 FKAF Cc1ccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587800137 AHROPKVINHUTLA-WYRIXSBYSA-N 373.269 5.002 0 1 FKAF CCC[C@@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587845239 DALULYPWITWCLQ-GTNSWQLSSA-N 368.315 5.228 0 1 FKAF Fc1c(Cl)cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1F 587949412 FSWWJAXAKGEBAO-UHFFFAOYSA-N 370.786 5.878 0 1 FKAF COc1ccc([C@]2(c3cccc(C)c3)NCCc3cccc(Cl)c32)cc1 963390636 LWLPETMQZIOWMT-HSZRJFAPSA-N 363.888 5.095 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)c3c(n2)-c2cccc(O)c2C3)c1 1857570806 SARHUIMOWXIIMY-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF CC1(C)CC(=O)[C@H]2[C@@H](c3ccc(O)cc3)c3c(ccc4ccccc34)O[C@@H]2C1 1857640816 QUXMZOPORIRCGR-AOHZBQACSA-N 372.464 5.444 0 1 FKAF CC(=O)O[C@H](C=C(C)CCC=C(C)C)Cc1cocc2c(C=O)ccc1-2 2356684217 OHTVVNDAIHLKNH-HXUWFJFHSA-N 354.446 5.364 0 1 FKAF COC(=O)c1ccccc1-c1ccc(-c2ccc(Br)cc2)cc1 13809592 PYFSWHDVAVZUTG-UHFFFAOYSA-N 367.242 5.570 0 1 FKAF CCCCCn1c(-c2ccc(OC)cc2)c(C=O)c2ccc(OC)cc21 27555046 GSPLWNMHRHLILV-UHFFFAOYSA-N 351.446 5.328 0 1 FKAF CC[C@@]1(c2ccc(F)cc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F 36479988 DLOULBRPXHNRCM-QGZVFWFLSA-N 370.321 5.028 0 1 FKAF CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2CF)cc1 40954221 RRDUZQOBVHRLIU-UHFFFAOYSA-N 362.514 5.058 0 1 FKAF Nc1cc(N2CCCC2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12 43020024 YFZQDFGECVJTQN-UHFFFAOYSA-N 371.509 5.813 0 1 FKAF COc1cc2c(c3c1[C@H](OC)C[C@@H](c1ccccc1)O3)C=CC(C)(C)O2 59727685 DCNIJWYZTHCFLC-FUHWJXTLSA-N 352.430 5.091 0 1 FKAF biogenic Cc1cc(S(=O)(=O)NC2CCCCC2)c2c(C)ccc(C(C)C)cc1-2 72123602 ULIHRKMHABVZDR-UHFFFAOYSA-N 359.535 5.143 0 1 FKAF C[C@@H]1C[C@@H](NCc2coc(-c3ccc(C(C)(C)C)cc3)n2)CC(C)(C)C1 72183418 RZPBXQGJNXXEOS-VQIMIIECSA-N 354.538 5.944 0 1 FKAF Cc1cc(OCCCc2c(C(=O)O)n(C)c3ccccc23)cc(C)c1Cl 95594284 XYIJQMZUCQCNMO-UHFFFAOYSA-N 371.864 5.158 0 1 FKAF Fc1ccc(COc2ccc([C@H](C3CC3)n3cnc4ccccc43)cc2)cc1 96938216 RCKAOFXCUJVSBO-DEOSSOPVSA-N 372.443 5.754 0 1 FKAF C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCCCCc1ccccc1 100640251 IJEJDENYUZSCNV-BTZRARBUSA-N 363.545 5.329 0 1 FKAF Clc1ccc(C(OC2C[C@H]3CC[C@H](C2)N3)c2ccc(Cl)cc2)cc1 100872589 FQBNNMLRILIAJK-QZTJIDSGSA-N 362.300 5.382 0 1 FKAF CCC/C=C\CSC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 144989020 QXBFRDGMYMBQMJ-PFCJTZRESA-N 352.540 5.071 0 1 FKAF CC(C)=CCOc1cc(CCc2ccc(O)cc2)c2c(c1)OC(C)(C)C=C2 238764940 ARZUXFXKAGHYIP-UHFFFAOYSA-N 364.485 5.707 0 1 FKAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255221281 JLMUUJZJXDLYNO-YTUMETONSA-N 368.605 6.695 0 1 FKAF Brc1ccc(OCCCOc2ccc(-n3cccc3)cc2)cc1 473113556 JHEDCJZGFFEQCD-UHFFFAOYSA-N 372.262 5.088 0 1 FKAF Cc1c(-c2ccc(F)c(F)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586994684 BYACTHKRVDIJIQ-UHFFFAOYSA-N 371.386 6.008 0 1 FKAF Cc1c(-c2cccc(F)c2F)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586996889 VASFYJINRAZWNW-UHFFFAOYSA-N 371.386 6.008 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(C(F)(F)F)ncc2[nH]1 587062022 NOCBHMNUTZTRJL-LBPRGKRZSA-N 355.747 5.160 0 1 FKAF Clc1ccccc1OCc1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 587063808 YITITVWREQVBGJ-UHFFFAOYSA-N 370.239 5.511 0 1 FKAF Clc1[nH]c2ccccc2c1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587087068 HHKDOFMRFIDLRP-UHFFFAOYSA-N 359.816 6.157 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1cccc3c1[C@@H]4CCC3)-c1ccccc1C2=O 587100458 KTJOUVCWTJUPEV-SFHVURJKSA-N 373.455 6.203 0 1 FKAF Cc1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br 587150824 FLQQKLWNKPXAHC-MNOVXSKESA-N 363.205 5.183 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc4ccccc34)nc3cccc1c23 587208207 RRMZXLFGRYTCCR-UHFFFAOYSA-N 357.412 6.266 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 587249660 DCQCCOUOMXNDTD-UHFFFAOYSA-N 355.228 5.181 0 1 FKAF c1ccc2c(c1)Nc1cc(-c3cc4c5c(cccc5n3)CC4)ccc1S2 587361485 UYFWMZSGPXENHU-UHFFFAOYSA-N 352.462 6.209 0 1 FKAF CCC[C@@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587364680 AGKKVOGXACYINZ-OAHLLOKOSA-N 357.453 6.487 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Cl)c1)(C1CCCCC1)O2 587378298 NNZHTYOHLUDYAG-QFIPXVFZSA-N 369.892 5.672 0 1 FKAF CCCCCC[C@@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587405457 WWVRXKMHNBYEEA-QFIPXVFZSA-N 353.462 5.114 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(N3CCCCC3)c1)CC2=O 587475991 RYZZQOCIFSNUIH-QFIPXVFZSA-N 365.473 5.042 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc([C@@H](C)CC)ccc1OC)CC2=O 587478844 KMSQXAHUMHCEBF-RCDICMHDSA-N 368.473 5.573 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc([C@@H](C)CC)cc1)CC2=O 587490211 SDKYYLWOAFSKHA-UPCLLVRISA-N 366.501 6.129 0 1 FKAF O=C1C[C@@H](c2ccc(C(=O)C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587496957 CZNWPKUYMUCCLQ-SFHVURJKSA-N 374.358 5.017 0 1 FKAF CCC[C@@]1(c2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620585 ZTJZLBPTSWMXPI-NQIIRXRSSA-N 366.438 5.111 0 1 FKAF Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587815221 KTLQZBVVGDFKSJ-YJYMSZOUSA-N 362.286 5.003 0 1 FKAF CC(C)[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587818663 SCYUAWIOJLNZKL-SNUQEOBHSA-N 354.307 5.164 0 1 FKAF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 587827566 KMCFICSDIFZBDE-XTZNXHDOSA-N 374.253 5.266 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc2c(c1)CCC2 587865704 FRZDMHXCEPDXJT-UHFFFAOYSA-N 372.390 5.446 0 1 FKAF CC(C)(C)OC(=O)N1CC[C@H](c2nc(-c3cccc(Cl)c3)cs2)C1 587920918 RBDLTGCSGNVAKM-ZDUSSCGKSA-N 364.898 5.188 0 1 FKAF Cc1ccc(-c2csc(CCn3cnc4cc(C)c(C)cc43)n2)cc1C 587921034 PPJWEUDPYNHLLJ-UHFFFAOYSA-N 361.514 5.636 0 1 FKAF CC(=O)c1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 587957859 XRKSXAIOXNLLHK-UHFFFAOYSA-N 372.509 5.684 0 1 FKAF Brc1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2n1 587969127 QQAJVWWJSMTHKZ-FLIBITNWSA-N 350.219 5.044 0 1 FKAF Oc1ccc2c(-c3ccc(F)cc3)c(Oc3ccc(F)c(F)c3)sc2c1 653813162 JJNJEXAKZLBHGG-UHFFFAOYSA-N 372.367 6.484 0 1 FKAF CC(C)(C)[C@@]1(CC2CCCCC2)NCCc2c(Cl)cc(Cl)cc21 963120501 IYNKPYWQCUWRBA-FQEVSTJZSA-N 354.365 6.351 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1cc(C)ccn1)c1ccccc1C 963228618 MCDLRMPRTNUDHY-LVXARBLLSA-N 370.540 5.647 0 1 FKAF COCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)OC 2356516101 LKUFKKPWSGIMCX-FAGZOMQFSA-N 350.543 5.391 0 1 FKAF C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(N(C)C)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C 2356723524 MCFFBNGJPPEVCQ-VHXLPVHBSA-N 372.641 5.651 0 1 FKAF Cc1cccc(NC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)c1C 8611668 COPGCFPFTPLUDT-UHFFFAOYSA-N 370.452 5.482 0 1 FKAF CC(C)(C)NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 13153436 WKJWFESSCHFAQW-OVOMFJRRSA-N 374.528 5.511 0 1 FKAF CCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1 13494225 QMNAADNBEBCAEQ-UHFFFAOYSA-N 360.453 5.953 0 1 FKAF in-vivo CCCCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 26398300 TXIYNYNMYANNEX-UHFFFAOYSA-N 351.277 5.828 0 1 FKAF O=C(O)CCCCCCc1cc(CCCCCc2ccccc2)cs1 26945776 VEDOFFKZYBQDRR-UHFFFAOYSA-N 358.547 6.281 0 1 FKAF CCOC(=O)c1ccc(NCCCCCC(=O)c2ccc(Cl)cc2)cc1 28772023 NDXVCXHYYJHNAH-UHFFFAOYSA-N 373.880 5.372 0 1 FKAF COc1ccc(/C=C/[C@@](C)(CCC=C(C)C)Cc2ccc(OC)cc2)cc1 29062322 SBTOFIBMVIBTSC-QQDPUAARSA-N 364.529 6.712 0 1 FKAF C[C@@H]1[C@@H](NCc2coc(-c3cccc4ccccc34)n2)C[C@H]2C[C@@H]1C2(C)C 72184879 VYTSVVOMRCIQKP-WUVXFVIISA-N 360.501 5.655 0 1 FKAF Cc1ccc(C)c(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1 96910022 HKBCOKQTMGCZFX-UHFFFAOYSA-N 356.513 5.293 0 1 FKAF CC(C)Oc1c([C@H](Nc2ccccn2)c2ccccc2)ccc2cccnc12 103262583 WQXPQDGUUMRXFC-JOCHJYFZSA-N 369.468 5.619 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(c5ccccc5)CC[C@]34C)[C@@H]1CCC2=O 118920130 FBCINCBIRWVDGR-KUJHCPCUSA-N 366.545 5.486 0 1 FKAF CCCCCc1cc(OC)c([C@@H]2[C@H](O)[C@]3(C)CC[C@H]2C3(C)C)c(OC)c1 204480855 QLWFTMSARKCILR-ZLTNCQPASA-N 360.538 5.337 0 1 FKAF O=C(Nc1cccc(F)c1)Nc1ncccc1OCc1ccc(Cl)cc1 206957481 KOAZXRMTCSCRBP-UHFFFAOYSA-N 371.799 5.097 0 1 FKAF COc1cc(-c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)ccc1O 238769588 UOKLSEHXCDTAIP-UHFFFAOYSA-N 352.389 5.432 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(F)cc(F)cc4[nH]3)cc2)CC1 586879923 IWGHNXWDHHWIBK-WKILWMFISA-N 368.471 6.972 0 1 FKAF Cc1ccc(C)c2[nH]c(COc3ccc(Cl)cc3Br)nc12 586975963 AJZIJBBKTHSXSU-UHFFFAOYSA-N 365.658 5.175 0 1 FKAF O=C1c2ccccc2-c2cc(/C=C/c3cccs3)nc3ccc(O)c1c23 586994600 YGLDHJVNOZQGOP-BQYQJAHWSA-N 355.418 5.384 0 1 FKAF OCCc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587062764 LBNJVICDLBVUQX-UHFFFAOYSA-N 362.860 5.009 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](C(C)C)[C@@H]4C)-c1ccccc1C2=O 587101811 WGBDLINXVYIOKR-JKSUJKDBSA-N 355.481 6.077 0 1 FKAF Fc1c(F)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(F)c(F)c1S 587134566 MYSWYNOEPRBFHD-UHFFFAOYSA-N 367.154 5.382 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cnc(Cl)[nH]c-4n3)c(Cl)c2)cc1F 587146118 ZZVCACTVPVHBGQ-UHFFFAOYSA-N 373.218 5.393 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587170613 RKUPYQXTQPGDQB-VIFPVBQESA-N 355.265 5.905 0 1 FKAF COC(=O)c1cccc(-c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)c1 587215053 ZRHSAULAOOVBKV-UHFFFAOYSA-N 365.432 5.454 0 1 FKAF Cc1cc(OC(F)(F)F)ccc1C(=O)c1coc2ccc(Cl)cc12 587279032 URDMJEQOINBCQD-UHFFFAOYSA-N 354.711 5.524 0 1 FKAF O=C1C[C@@H](c2ccc(Oc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587525337 RWDSKWXHNKQZHQ-DEOSSOPVSA-N 370.448 6.064 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccccc3)s2)Oc2c1ccc1c2CCCC1 587532644 RFKNEZPASRYNGJ-HXUWFJFHSA-N 360.478 6.000 0 1 FKAF O=C1C[C@H](c2cccc(-c3ccsc3)c2)Oc2c1ccc1c2CCCC1 587535657 NJCZWZZBYHMVIE-JOCHJYFZSA-N 360.478 6.000 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C3CCC3)cc2)N1 587824643 YCJAMQMYBWBLNI-FKIZINRSSA-N 374.297 5.479 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccccc3o2)N1 587827285 JJCTVPRZJRAVKL-JEOXALJRSA-N 374.253 5.132 0 1 FKAF CCCC/C=C/c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587964819 CNSYCRZXOCQIMF-VOTSOKGWSA-N 350.418 5.345 0 1 FKAF Oc1ccc(-c2cc(-c3ccsc3)cc(-c3cccc(Cl)c3)n2)cc1 653735651 FFTWAPIRPZIPMN-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF CCc1ccc2[nH]c(C(C)(C)C)c([C@H]3NCCc4ccc(F)c(C)c43)c2c1 962141122 BIOVMYKDQCQQNZ-QFIPXVFZSA-N 364.508 5.710 0 1 FKAF c1ccc(-c2cccc3c2[C@@H](c2ccc([C@H]4CCCCO4)o2)NCC3)cc1 962658473 CRUMKBFZOFVJSF-HYBUGGRVSA-N 359.469 5.423 0 1 FKAF CCC(C)(C)[C@]1(c2ccc(OC)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963096944 GRXBDEXCCFIETC-RDPSFJRHSA-N 367.508 5.535 0 1 FKAF CCC(C)(C)[C@@]1(c2cccc(F)c2)c2ccc(F)cc2C[C@H]2CCCN21 963101653 DXAPRANQVVRTMD-NFBKMPQASA-N 355.472 5.665 0 1 FKAF O[C@@H](c1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12 1857541556 AVKNIBNCWWDXAR-QFIPXVFZSA-N 365.835 5.564 0 1 FKAF O=C(c1ccc(-c2ccc3cc[nH]c3c2)s1)c1cc(F)c(F)c(O)c1F 1857649787 ZNOUPJIEZUHFMR-UHFFFAOYSA-N 373.355 5.250 0 1 FKAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356660342 KGECUYUTWWUGRM-STPKKNLZSA-N 373.581 5.081 0 1 FKAF Cc1ccc(-c2cccc(C(=O)NCc3ccccc3)n2)c2ccccc12 8680105 GHCLKYFPKLHDSX-UHFFFAOYSA-N 352.437 5.140 0 3 FKAF Clc1cccc(-c2nc3ccc(Cl)cn3c2Cc2ccsc2)c1 72139673 KAELJNUVHSFCDO-UHFFFAOYSA-N 359.281 5.960 0 3 FKAF CC(C)[C@H](c1cn(Cc2ccc(Cl)cc2)c2ccccc12)n1ccnc1 3648644 DPEALSQQNAVUDN-JOCHJYFZSA-N 363.892 5.785 0 1 FKAF C/C(=C1/SC(=S)N=C1O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 13734208 XPSGQOCLQUKGOB-GDNBJRDFSA-N 363.548 5.706 0 1 FKAF COc1ccc([C@H]2C[C@@](O)(c3ccccc3)Oc3cc(C)cc(C)c32)cc1 13830655 XDWDFCAXTGHAQC-QPPBQGQZSA-N 360.453 5.072 0 1 FKAF COc1ccc(SC(=O)C(C)(C)C)c(NC(=O)C2(C)CCCCC2)c1 26576326 BNYROURFNSYQNQ-UHFFFAOYSA-N 363.523 5.269 0 1 FKAF Fc1ccc(C[C@H](Cc2ccc(-c3ccccc3)cc2)n2ccnc2)c(F)c1 40423064 NEVBJFRXLKMRDJ-QHCPKHFHSA-N 374.434 5.855 0 1 FKAF C[C@@H](N[C@H]1CCC[C@@H](c2ccc(C(=O)O)cc2)C1)c1cccc2ccccc12 43205424 XHECHHFQBPQRSS-YHYVQYDKSA-N 373.496 5.915 0 1 FKAF CCCCCC[C@@H]1/C=C/C=C(CO)C2=C3[C@H]1CCCC[C@@]31OC(C)(C)O[C@@H]21 64512996 FMIQTBFLGZMDLX-KHWFAULWSA-N 372.549 5.452 0 1 FKAF Clc1ccc(Cl)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1Cl 95587482 HIKRIVCRSDESKA-LRDDRELGSA-N 356.680 5.376 0 1 FKAF CC1(C)CC2=Nc3ccc4ncccc4c3[C@@H](c3ccccn3)C2=C(O)C1 104694178 GAAQRGOWTOUOIW-JOCHJYFZSA-N 355.441 5.480 0 1 FKAF Cc1cc2c(cc1C)N[C@H](c1ccsc1)C1=C(O)CC(C)(C)CC1=N2 104698822 FBOCZSBTNVUKKO-HXUWFJFHSA-N 352.503 6.236 0 1 FKAF CCCC[C@@H](CC)[C@@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 169316717 KCOVIXLDRHLDSU-XPXKFQDXSA-N 366.542 5.140 0 1 FKAF COc1cccc([C@H]2CC(=O)[C@H]3Sc4cc(Cl)ccc4N=C3C2)c1 169715425 GTYBBGOQUBWUGY-BLVKFPJESA-N 357.862 5.042 0 1 FKAF O=C(Nc1ccc(-c2cccnc2)cc1)Nc1ccc(Cl)cc1Cl 473135471 QFHDNNANVIVPJU-UHFFFAOYSA-N 358.228 5.699 0 1 FKAF Cc1ccc(-n2ccnc2SCc2nc3ccc(Cl)cc3[nH]2)c(C)c1 586967148 XKMKVEZAACKDPG-UHFFFAOYSA-N 368.893 5.311 0 1 FKAF CCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586990743 DJUKXGCQARCELD-UHFFFAOYSA-N 367.404 5.218 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(Cl)ccn4)nc13)-c1ccccc1C2=O 586993680 PJWIVUSLIYAPSL-UHFFFAOYSA-N 356.812 5.470 0 1 FKAF c1csc(SCc2c(-c3nc4ncc[nH]c-4n3)oc3ccccc23)c1 587012240 VCLQZLGWTGXELU-UHFFFAOYSA-N 364.455 5.072 0 1 FKAF Clc1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2nc1Cl 587023346 JEQTWORYUZSVOX-UHFFFAOYSA-N 353.259 5.117 0 1 FKAF CCc1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1 587049644 JVTYHYGBJOBJQO-UHFFFAOYSA-N 360.844 5.925 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587161141 KMXOPVVBKPKYOQ-WDEREUQCSA-N 370.733 5.525 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2)cc1 587242138 HPVQFPAUVWSRHI-UHFFFAOYSA-N 355.441 5.558 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 587250130 IBRUGNGLFXBTGO-UHFFFAOYSA-N 355.228 5.181 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(C3CCCCC3)c1C)O2 587388842 GWXZUVLDQVUXRO-NRFANRHFSA-N 352.478 5.207 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1oc3ccccc3c1C)CC2=O 587479823 JIXHAOWRHVFXJH-QFIPXVFZSA-N 350.414 5.280 0 1 FKAF Cc1[nH]c2ccc(Cl)cc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500367 OGRRYKOMAXYISM-FQEVSTJZSA-N 365.860 5.715 0 1 FKAF O=C1C[C@](c2ccccc2)(c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 587534821 ZFHPMQQXOBXRPR-VWLOTQADSA-N 370.448 5.180 0 1 FKAF O=C1C[C@H](c2csc3ccc(Cl)cc23)Oc2c1ccc1c2CCCC1 587536115 RKZTYVWOWLNZNI-LJQANCHMSA-N 368.885 6.140 0 1 FKAF C/C=C(/c1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817963 FTYQJUYEGUQBHN-RFQRCICFSA-N 360.270 5.267 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCC2CCCCC2)N1 587820782 RAWWZBYEWMXDCV-LRDDRELGSA-N 354.307 5.524 0 1 FKAF CC(C)=CCC[C@H](C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821033 SGQDUTVRMGLZHB-JCGVRSQUSA-N 354.307 5.546 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(C)(C)C[C@H]2C)N1 587822289 JRYOTMGKHNZWKB-FMTVUPSXSA-N 354.307 5.164 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(Cl)cc3Cl)n2)cc1 587926419 YFMBHINXEORVEM-UHFFFAOYSA-N 352.311 6.506 0 1 FKAF COc1ccc(C[C@@H](C)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1OC 587927765 XPGSIZSXZWMIRG-SNVBAGLBSA-N 365.260 5.233 0 1 FKAF COc1ccc(/C=C\Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c(OC)c1 587929011 JQCMHNZNKBCPMN-ARJAWSKDSA-N 363.244 5.143 0 1 FKAF CCCN1[C@@H](CCP(=O)(OCC)OCC)c2ccccc2C[C@H]1C 963235073 FOYIFNIBIPOUJB-APWZRJJASA-N 353.443 5.041 0 1 FKAF C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c1ccccc1n2C 1857546398 ADRBCSXYOHVPTR-UHFFFAOYSA-N 373.452 5.419 0 1 FKAF CC[P@](=O)(OC)c1ccc2nc(-c3ccc4ccccc4c3)oc2c1 1911573305 NWPOLBMOTQFTOW-VWLOTQADSA-N 351.342 5.218 0 1 FKAF CC(=O)OCC[C@]1(C)CC[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]23C)O1 2356684626 VPMIZQQBIXRMPF-DKBNTXJOSA-N 350.543 5.510 0 1 FKAF C[C@H]([C@H]1CC[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)CCC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356692368 SZIOQOXLFOEUNT-MDXINTEASA-N 369.637 6.542 0 1 FKAF C(=C/c1ccccc1)\CN1CCC(c2ccc(Oc3ccccc3)cc2)CC1 13836155 PUSXGQHPVKPISP-JXMROGBWSA-N 369.508 6.372 0 1 FKAF Nc1nc(-c2cc(Cl)cc(Cl)c2)c(-c2cc(Cl)cc(Cl)c2)[nH]1 25977915 GDHYEWORHPLARN-UHFFFAOYSA-N 373.070 5.940 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CCC4=C(C(F)(F)F)C(=O)CC[C@@]43C)[C@@H]1CCC2=O 26834902 OMHOOFKINHBDCB-ORERKPRQSA-N 354.412 5.020 0 1 FKAF Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3Oc3ccccc32)cc1 27551190 VSUZTQMVKLEOPM-UHFFFAOYSA-N 366.416 5.586 0 1 FKAF CC(C)=CCc1c(O)cc2c(c1/C=C/c1ccccc1)C[C@@H](O)C(C)(C)O2 40892302 KKSDBZMBXBGTRS-ABSORMQESA-N 364.485 5.146 0 1 FKAF Cc1nc(NC(=O)[C@]2(C)CC3c4ccccc4C2c2ccccc23)sc1C 40915323 WNJJVXQAJXMKMQ-YABDQXBESA-N 374.509 5.386 0 1 FKAF Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1cccc(Cl)c1 45336936 BECUZKOROWXJMJ-UHFFFAOYSA-N 361.228 5.233 0 1 FKAF CCOc1ccccc1-c1nc(CN[C@H](C)c2cccc3ccccc23)co1 72186068 OIRGFQNNSBDGPR-QGZVFWFLSA-N 372.468 5.744 0 1 FKAF CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2csc(-c3ccccc3)n2)C1 103181081 XQYJRTPZUNIMSB-UHFFFAOYSA-N 374.509 5.361 0 1 FKAF N=C1N[C@@H](c2ccccc2)C[C@H]2CC[C@H](c3ccc(-c4ccccc4)cc3)N12 103262107 QZMYJUVTGUVPEQ-WXFUMESZSA-N 367.496 5.528 0 1 FKAF Cc1ccc2ccccc2c1CNC[C@H](O)c1ccc(Cl)c(Cl)c1 169330531 RBVCHSHAPMQVAC-FQEVSTJZSA-N 360.284 5.278 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2)cc1 586897756 IWIMVCINSLNUET-UHFFFAOYSA-N 355.319 5.016 0 1 FKAF CSc1ccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2c1 587004711 ZGQYKCYITHOKFN-UHFFFAOYSA-N 373.275 5.769 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)c(F)ccc4[nH]3)c21 587031617 UDGJUHQONBMORA-LLVKDONJSA-N 369.440 5.800 0 1 FKAF Cc1ccc2c3c(cc(-c4c[nH]c5ncccc45)nc13)-c1ccccc1C2=O 587095886 CKBSNSKKAMJQJR-UHFFFAOYSA-N 361.404 5.298 0 1 FKAF Cc1ccc(Cc2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)cc1 587099812 UYGVCRWQTDNYLR-UHFFFAOYSA-N 363.460 5.962 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC[C@H]4CC(C)C)-c1ccccc1C2=O 587101893 XAUQJOHBXWLGIW-INIZCTEOSA-N 355.481 6.221 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587153674 YGPQVCGVSSIHRW-UHFFFAOYSA-N 358.203 5.738 0 1 FKAF CC(=O)CCCCCCCCCCCc1c(C)nc2cccc3c2c1CC3 587212471 AQXLJLDCXSOLOC-UHFFFAOYSA-N 365.561 6.674 0 1 FKAF Cc1c(Br)csc1C(=O)c1coc2ccc(Cl)cc12 587278367 GAWMCONOQSAUOP-UHFFFAOYSA-N 355.640 5.450 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(C3CCCCC3)c1C)O2 587388843 GWXZUVLDQVUXRO-OAQYLSRUSA-N 352.478 5.207 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1CCCCF)CC2=O 587466367 NHOWXMUTIGNVGK-OAQYLSRUSA-N 356.437 5.343 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc4cc(N(C)C)ccc4c3)c(C)c2c1 587640601 BJTCRPMFSRCLPR-MRXNPFEDSA-N 356.513 6.876 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3CCCC[C@H]32)N1 587826027 GBURXCZJTKTGRT-FCIKYMEBSA-N 366.318 5.308 0 1 FKAF Brc1cncc2nc(/C=C\c3cccc4ccccc34)[nH]c12 587967879 KDHFBPQYAHIOBN-HJWRWDBZSA-N 350.219 5.044 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)([C@@H](C)Oc2ccc(F)cc2F)N1 962957196 NXMSREDFCKKVSO-QCPUYCGNSA-N 370.443 5.053 0 1 FKAF C[C@H](C(F)(F)F)[C@@]1(c2ccccc2)c2c(F)cccc2C[C@H]2CCCN21 963097819 HSPDZDZMSIICOY-JNAXZKDPSA-N 363.398 5.288 0 1 FKAF CC[C@]1(c2cc(Br)ccc2F)NCCc2cccc(Cl)c21 963391269 RPAYEGSTLXLEJL-QGZVFWFLSA-N 368.677 5.041 0 1 FKAF CN(C/C=C/c1ccc(Cl)cc1Cl)Cc1ccc2c(c1)OCCC2 1772621392 MYNFXAVOUXHDGF-DUXPYHPUSA-N 362.300 5.464 0 1 FKAF COc1ccc(Cc2ccc(-c3[nH]c4cccc(F)c4c(=O)c3C)cc2)cc1 1857559127 OCASMAJPHSLNLU-UHFFFAOYSA-N 373.427 5.242 0 1 FKAF O=C(O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1F 1857574064 XGXVQEKTEDUAAB-UHFFFAOYSA-N 366.779 5.159 0 1 FKAF Nc1cccc(Cl)c1Oc1ccc(CNc2cccc(Cl)c2)cc1 1857584884 WNKMKPQNJAKEGI-UHFFFAOYSA-N 359.256 5.980 0 1 FKAF CNC[C@@H]1C[N@]1C[C@@]12CC3=C(C)CC[C@@]3([C@@H](C)CC13CCCC3)C2(C)C 2356492090 WRAPTTSOOBLOEP-NZEAGBOMSA-N 356.598 5.003 0 1 FKAF COC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C[C@@H](C(=O)OC)CC1(C)C 2356762118 APNSBFSSOLMCSO-LJQANCHMSA-N 372.505 5.090 0 1 FKAF CCCCc1c(-c2cccc(F)c2)ncn1CCc1ccccc1OC 95566146 YRRGWXNEINASKP-UHFFFAOYSA-N 352.453 5.283 0 3 FKAF COc1ccccc1Cc1c(C2CCCCC2)nc2c3ccccc3ccn12 95571225 MVJNDKLRQRGRFS-UHFFFAOYSA-N 370.496 6.135 0 3 FKAF CCCCCc1cc2c(c3c1CCCO3)[C@H]1C[C@H](O)CC[C@H]1C(C)(C)O2 26985198 QXPMAJJUKZJCEC-NZSAHSFTSA-N 358.522 5.160 0 1 FKAF Cc1c(-c2nc3cc(C(=O)O)ccc3n2C2CCCCC2)[nH]c2ccccc12 28108882 LLDRQUJLFNJZRV-UHFFFAOYSA-N 373.456 5.696 0 1 FKAF COC(=O)c1ccc(/C=C/[C@H]2CCC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]32C)cc1 29391749 BUHIIVDJIFQBHL-YNRKUWPNSA-N 356.506 5.090 0 1 FKAF CCc1ccc(OC)c2cc(-c3ccc(-c4ccc(C(=O)O)s4)[nH]3)oc12 29467213 HBAOEWJZPCKEHG-UHFFFAOYSA-N 367.426 5.426 0 1 FKAF COC(=N)c1ccc(-c2cc3c4c(c(C)c(C)c3o2)OC(C)(C)CC4)cn1 43016271 ZWFLQTSZFFCEFF-UHFFFAOYSA-N 364.445 5.187 0 1 FKAF Cc1ccc(-c2cc(-c3ccsc3)nc(-c3cc(C)sc3C)c2)o1 45367933 GYHAJBCSGSKUBJ-UHFFFAOYSA-N 351.496 6.724 0 1 FKAF CC(C)=C[C@@H](C)C/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12 59587915 JBZAHTJTVMZHDQ-UBYXTUIOSA-N 352.430 5.857 0 1 FKAF biogenic,in-vitro C[C@H](NCc1coc(-c2ccc(Br)cc2)n1)C1CCCCC1 72185335 IFLHNTSGSKTGIE-ZDUSSCGKSA-N 363.299 5.163 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)c3cc(CCC(=O)O)ncc3CC[C@@H]12 85772641 QBCQXEYQSRWFAF-CDPNLFKUSA-N 369.549 5.545 0 1 FKAF biogenic O=C(Cc1ccc(Cl)c(Cl)c1)c1cc(Oc2cccnc2)ccn1 96178139 ITDDGASEWKNCMS-UHFFFAOYSA-N 359.212 5.001 0 1 FKAF CCCCCc1ccc2c(c1)[nH]c(=O)c1nc(-c3ccccc3Cl)[nH]c12 96270723 JULNGCZCLLQCAU-UHFFFAOYSA-N 365.864 5.458 0 1 FKAF CC1=C(C)C[C@H]2C(=O)N(c3cc(C(C)(C)C)ccc3C(C)(C)C)C(=O)[C@@H]2C1 102938419 BLRBFXKWWFDGCB-QZTJIDSGSA-N 367.533 5.517 0 1 FKAF CCCCCCc1cc2ccc(Cl)cc2n1C(=O)C[C@@H](C)CC(=O)O 103270820 HIVUMAXJGBETMO-CQSZACIVSA-N 363.885 5.559 0 1 FKAF Cc1cc(C)cc(-c2cc([C@@H](O)C[C@@H]3CCCCN3)c3ccccc3n2)c1 169334840 LESUFCJHGHVDIG-CYFREDJKSA-N 360.501 5.084 0 1 FKAF Clc1ccc([C@@H]2C=C(c3ccccc3)Oc3ccc4ccccc4c32)cc1 197977289 CNNVIFVIJHEUEZ-QFIPXVFZSA-N 368.863 7.059 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4ccc(C)c(C)c4[nH]3)c2o1 587004496 UWFCESFZUMQKAU-UHFFFAOYSA-N 355.235 5.664 0 1 FKAF Fc1cc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2cc1Cl 587015392 CEZJYJPYKANGDQ-UHFFFAOYSA-N 364.232 5.799 0 1 FKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(Cl)c(C)c2[nH]1 587076236 ROZLXZLILALYSP-UHFFFAOYSA-N 357.244 5.339 0 1 FKAF Cc1cc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)c(C)s1 587100792 ABRVQUGDEDWJKQ-UHFFFAOYSA-N 369.489 6.408 0 1 FKAF C[C@H](c1nc2cccc(F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130249 QPHLVTIYIDKUJE-RXMQYKEDSA-N 364.705 5.036 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587170014 HTFWCDVCHCTASM-VIFPVBQESA-N 355.360 5.012 0 1 FKAF CC1=CC[C@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587349495 CBCMARNFSYMGIQ-YTJPUZGESA-N 366.432 5.395 0 1 FKAF CSC[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370490 XIRGZINEVDKKKX-WIYYLYMNSA-N 374.477 5.038 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(C)C)cc1)CC2=O 587478218 FJJZTSCPVDZVIW-QHCPKHFHSA-N 368.473 5.260 0 1 FKAF O=C1C[C@@]2(CCCNc3cc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587501701 QEBKCHXMZWCIGO-JOCHJYFZSA-N 367.876 5.285 0 1 FKAF Cc1nn(-c2ccccc2)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516033 QKBVUWGIIZIAAF-JOCHJYFZSA-N 372.468 5.074 0 1 FKAF Cc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 587520663 BEJNLEXCIWNPAF-RUZDIDTESA-N 356.465 5.908 0 1 FKAF Cc1cccc(OCc2nc3cc(Br)cc(Cl)c3[nH]2)c1C 587563727 IBLCBTIFIILHNB-UHFFFAOYSA-N 365.658 5.175 0 1 FKAF O=C(c1ccc(F)cc1)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587630067 PZJKGTUOHVJHQQ-UHFFFAOYSA-N 359.681 5.349 0 1 FKAF CC1(C)COC(CCc2c(-c3ccccc3F)[nH]c3cc(F)ccc23)OC1 587634776 QWOLTVFHGHYYMH-UHFFFAOYSA-N 371.427 5.445 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](C)CC(C)(C)C2)N1 587822216 JGXJMXXJEFTKON-FTLABTOESA-N 354.307 5.164 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=CC[C@H]3C[C@@H]2C3(C)C)N1 587824147 UUNHCFBJULFAHY-UEIBITKBSA-N 364.302 5.156 0 1 FKAF Cc1ccc(C)c(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587959244 OFSYQBQFQCNXLB-UHFFFAOYSA-N 369.493 6.047 0 1 FKAF CC[C@]1(Cc2nc3cccc(C(C)(C)C)c3[nH]2)CC(=O)c2ccccc2C1 587960281 KMCMMYPRJOYAAW-XMMPIXPASA-N 360.501 5.628 0 1 FKAF Cc1cc(C(F)(F)F)c([C@H]2NCCc3cccc(-c4ccccc4)c32)cn1 962667351 LNMSHNAHVWVEGL-OAQYLSRUSA-N 368.402 5.311 0 1 FKAF COc1cccc2c3c(cnc12)CCN[C@@]3(CCC1CCCC1)C(C)(C)C 963049881 BNEXUVMMLDBWFP-XMMPIXPASA-N 366.549 5.601 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1ccc(-c2nccs2)cc1 963096311 DISOCDZVVQLBRI-AZUAARDMSA-N 350.462 5.059 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(SCC(C)C)cc1 963228649 MHYHEFXRWPRZOR-MBSDFSHPSA-N 353.575 6.181 0 1 FKAF CC1=CC[C@]2(C)CC[C@H]([C@H](C)CO)[C@@H]2CC=C(C)[C@H]2CC[C@@H](C)C2=CC1 2356325949 RTSBHYOVQSBPLR-HXBHREQDSA-N 356.594 6.696 0 1 FKAF Cc1cc(-c2cc(-c3ccc(Cl)cc3)on2)nc(NC2CCCC2)n1 13660286 CHEJMDUPMYUUIW-UHFFFAOYSA-N 354.841 5.115 0 3 FKAF Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2F)cc1 585707 IVBPBKLZQGEAEA-UHFFFAOYSA-N 366.440 5.261 0 1 FKAF Cc1cccc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)cs2)n1 13141294 WXDQKDUCBIVGRA-UHFFFAOYSA-N 351.353 5.156 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1F 13441080 CJYLGGVBLVNETB-UHFFFAOYSA-N 357.513 6.360 0 1 FKAF O=C(O)CCCCCCc1ccc(CCCc2cccc(Cl)c2)s1 26845065 VMOPGANRANTUNA-UHFFFAOYSA-N 364.938 6.154 0 1 FKAF C[C@@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C1N=NN=N1 29468927 KHPJYJSWXIGNAZ-SNVBAGLBSA-N 368.784 5.002 0 1 FKAF CCCCCC[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 38825516 SLICLEJAYRJPGX-IXBCVXAVSA-N 370.577 6.284 0 1 FKAF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccoc1 49050066 UGAOSMMPHCGRKR-UHFFFAOYSA-N 357.885 5.195 0 1 FKAF CCCCc1ccc(-c2nc(CN[C@@H]3C[C@@H](C)CC(C)(C)C3)co2)cc1 72184355 VZFUQCHYHZGDMD-YLJYHZDGSA-N 354.538 5.989 0 1 FKAF CN(CCCNc1cc(-c2ccc(C(C)(C)C)cc2)ncn1)c1ccccc1 82160928 RVJSBPFHCCIAQH-UHFFFAOYSA-N 374.532 5.380 0 1 FKAF C[C@H]1C[C@@H](Nc2cc(-c3cccc(-c4ccccc4)c3)ncn2)CC(C)(C)C1 82162438 OXQCODDWSQGABT-PGRDOPGGSA-N 371.528 6.437 0 1 FKAF CCCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccco2)n1 82165232 POFJTPPOJJZHPA-UHFFFAOYSA-N 350.447 5.225 0 1 FKAF CCCOc1cc(C(C)(C)C)ccc1[C@@H]1COC(c2c(F)cccc2F)=N1 103287953 NSGUEFADNIENEO-SFHVURJKSA-N 373.443 5.569 0 1 FKAF Cc1ccc(-c2[nH]nc3c2[C@H](c2cccs2)C2=C(O)CCCC2=N3)cc1 103564095 AXQQGEOAGWAMOQ-GOSISDBHSA-N 361.470 5.661 0 1 FKAF Cc1cc(C)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113655709 LVTQHLVNUOPPGX-UHFFFAOYSA-N 367.496 5.623 0 1 FKAF Cc1cccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2c2nc(O)cs2)c1 169728187 SLPGHOAUNUJDNQ-LJQANCHMSA-N 363.486 5.130 0 1 FKAF Ic1cccc2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586879677 HKOLABDNECJQFP-UHFFFAOYSA-N 374.225 5.102 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586962568 GLMCHMBXXZIKBH-AWEZNQCLSA-N 374.513 5.389 0 1 FKAF C[C@@H](Oc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989477 KLMXDTWKAGCDBD-CQSZACIVSA-N 367.404 5.292 0 1 FKAF Fc1c(Cl)cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1F 587021572 LPKONFBDGFXSCM-UHFFFAOYSA-N 361.804 5.209 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 587036461 BVQFAVTWWJLMNZ-LBPRGKRZSA-N 372.799 5.153 0 1 FKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 587049509 ASIAKUJELFJZPQ-UHFFFAOYSA-N 366.223 5.270 0 1 FKAF Cc1nccc2[nH]c([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587071326 KBXHPTWFEPBUDA-SILSCELHSA-N 372.299 5.939 0 1 FKAF FC(F)(F)Oc1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587085651 ZEAOJUWLXHZASQ-UHFFFAOYSA-N 363.726 5.330 0 1 FKAF Cc1c([C@H]2CCOC(C)(C)C2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101838 QNVNYTQPTXUSOX-INIZCTEOSA-N 371.480 5.736 0 1 FKAF FC(F)(F)c1nc2ccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)cc2[nH]1 587120243 DWDYTKGNQNPATH-UHFFFAOYSA-N 371.149 5.432 0 1 FKAF Fc1cc(Br)cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587161350 QAQNBMSTIDMTEQ-UHFFFAOYSA-N 361.548 5.063 0 1 FKAF Cc1cc(C)c2[nH]c(-c3cc4ccccc4cc3NC(=O)C(C)C)nc2c1 587247578 PUDITPGVJOLUOP-UHFFFAOYSA-N 357.457 5.594 0 1 FKAF Cc1ccc2c(ccc3[nH]c(-c4ccc(-c5ccccc5N)cc4)nc32)n1 587250945 UCWUXRIOKXAFBL-UHFFFAOYSA-N 350.425 5.336 0 1 FKAF COc1cccc(-c2cc(-c3ccccc3F)nc3c2oc2ccccc23)c1 587359849 JHAGKRHTBZNDOJ-UHFFFAOYSA-N 369.395 6.463 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1C[C@H]1c1ccccc1Cl)CC2=O 587463781 ZTTFGEFDMIWTIQ-HOIFWPIMSA-N 370.876 5.526 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)Cc1ccc(C(C)C)cc1)CC2=O 587488708 KXABSGWEOCHLFH-QMHKHESXSA-N 366.501 5.681 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccncc3)cc1)CC2=O 587491449 SJASTULECWCODS-JOCHJYFZSA-N 359.425 5.113 0 1 FKAF CSc1ccc2c(c1)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587532774 OLMJTUDQHWYQEH-HSZRJFAPSA-N 364.510 5.484 0 1 FKAF Cc1ccc(-c2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)o1 587536152 SFJSDNPUOIKKDR-SFHVURJKSA-N 365.454 5.297 0 1 FKAF O=C(O)CCc1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 587629204 YKGKHRYIHUNKQX-UHFFFAOYSA-N 352.192 5.298 0 1 FKAF CCN(CC)CCCCCCN1c2ccccc2Sc2cccnc21 653709668 BORYBNQNXCBXDX-UHFFFAOYSA-N 355.551 5.587 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1ccc(-c2c(F)cccc2F)o1 963091637 JBXBWAOAHMASCF-OYHNWAKOSA-N 369.386 5.474 0 1 FKAF CCC(C)(C)[C@]1(c2ccccc2OC)c2c(F)cccc2C[C@H]2CCCN21 963119077 YZWSCTOQXLVPOM-KOSHJBKYSA-N 367.508 5.535 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c(C2CC2)nc2sccn12 963233769 DEEAYMQMLVUACQ-AUUYWEPGSA-N 351.519 5.019 0 1 FKAF CCOP(=O)(OCC)[C@@H](CCCCc1ccccc1)CSC(C)=O 1772584487 PVQHNKSRLFOIFO-SFHVURJKSA-N 372.467 5.314 0 1 FKAF O=C(Nc1ccc2sc(-c3cccc(F)c3)nc2c1)N1CCCCC1 1772618569 MHLIAKTVBAOERF-UHFFFAOYSA-N 355.438 5.120 0 1 FKAF Clc1ccc(-c2cc(-c3ccccc3)c3oc4ccccc4c3n2)cc1 1772644614 OBOLDLAIGNMLHM-UHFFFAOYSA-N 355.824 6.968 0 1 FKAF CCCCCc1cc(O)cc(C[C@@H]2CCC[C@H]([C@]3(C)C=CC[C@@H](C)C3)C2)c1 2356371575 LVMUEERNEAZUSV-FSADJQSMSA-N 368.605 7.466 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CC[C@]1(O)Oc2cccc(C)c2C1=O 2356512759 DATDTYFNUQUNEY-DEOSSOPVSA-N 368.517 6.068 0 1 FKAF COc1cc([C@@H]2C=CCC[C@H]2/C=C/c2ccc(OC)c(OC)c2)ccc1O 13384123 NNDAWFGRMQFDQC-VXFSWMFESA-N 366.457 5.181 0 1 FKAF CC(C)CCC[C@@H](C)CCC[C@H](C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 13545973 YSACNAXEZHCMEQ-LFRJMLHLSA-N 365.646 6.127 0 1 FKAF CC(C)=CCOc1cc([C@H](CO)Cc2cccc3ccccc23)ncc1C 27564174 ODXSJWZNLLXLAB-NRFANRHFSA-N 361.485 5.207 0 1 FKAF CCC(C)(C)[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954186 VZWXFRHNHBVAFN-CYBMUJFWSA-N 355.187 5.056 0 1 FKAF CC1(C)COC(c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)=N1 72179725 GZNKNIVLFFMSRU-UHFFFAOYSA-N 351.837 5.187 0 1 FKAF CC1(C)[C@H]2CC[C@H](CNc3cc(Oc4cccc5cccnc45)ncn3)[C@@H]1C2 82067384 ISRLNFDIDBSOMI-SQNIBIBYSA-N 374.488 5.301 0 1 FKAF Fc1cccc(CNc2cc(Oc3ccc(-c4ccccc4)cc3)ncn2)c1 82068400 XLFWMWAGGUZDOK-UHFFFAOYSA-N 371.415 5.687 0 1 FKAF Clc1ccc(C[C@H]2Cc3ccccc3[C@@H]2N2CCCCC2)c(Cl)c1 82150693 YIRNFGGDEBTYRM-DYESRHJHSA-N 360.328 5.935 0 1 FKAF O=P(O)(O)C(F)(F)c1ccc(-c2cccc(Cc3ccccc3)c2)cc1 96284991 DHAGVPJWXGYSAY-UHFFFAOYSA-N 374.323 5.171 0 1 FKAF CCCCC/C=C\CCC(=O)OCC(=O)c1ccc(Br)cc1 238756804 JCEAIQGYEXEJCO-SREVYHEPSA-N 367.283 5.092 0 1 FKAF CCCOc1ccc2c3cc[n+](CCC(C)C)c(C)c3n(CCC)c2c1 299844666 PFYDVJZIDQYUQM-UHFFFAOYSA-N 353.530 5.635 0 1 FKAF Cc1ccc(-c2nc3cc(Cl)c(Cl)cc3nc2-c2ccccc2)cc1 299855451 FESNWSMRFVXKKH-UHFFFAOYSA-N 365.263 6.579 0 1 FKAF Cc1cc(Br)c2[nH]c(-c3csc4ccc(O)cc34)nc2c1 587032678 MURVYKFDMHBOMK-UHFFFAOYSA-N 359.248 5.221 0 1 FKAF FC(F)(F)c1cccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 587055150 SUZRXADVJFRMSU-BQYQJAHWSA-N 357.162 6.059 0 1 FKAF CSc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587093789 UNZVFJLAHKPEHZ-UHFFFAOYSA-N 355.410 5.001 0 1 FKAF Cc1ccc2c3c(cc(C45CCC(CC4)CC5)nc13)-c1ccccc1C2=O 587099859 VXRHCYOFTCJMPW-UHFFFAOYSA-N 353.465 5.976 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@H]4Cc1ccccc1)-c1ccccc1C2=O 587101326 SCSNJPXEYZKINR-QGZVFWFLSA-N 361.444 5.637 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3c(Br)ccnc3[nH]2)c1 587149217 IJEJYKRVNDVFMX-UHFFFAOYSA-N 368.209 5.194 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2ccc(F)c(Br)c2[nH]1 587156284 SMGCWGYCBAOCPE-LBPRGKRZSA-N 367.193 5.134 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@H]3c1ccccc1 587207492 LRQBORINBZGEIG-KRWDZBQOSA-N 361.444 5.914 0 1 FKAF COc1cccc(-c2cc(-c3coc(C)n3)nc3c2oc2ccccc23)c1 587364302 SPFGAACVXKJJSG-UHFFFAOYSA-N 356.381 5.620 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1Cc1ccccc1)CC2=O 587485585 WCIDKRSSRGZCNR-HXOBKFHXSA-N 350.458 5.092 0 1 FKAF CCCCCC[C@]1(c2ccccc2)CC(=O)c2ccc(O)c(CCC)c2O1 587490192 SBFIROPBCPBMTO-XMMPIXPASA-N 366.501 6.176 0 1 FKAF O=C1C[C@H](c2ccn(CC3CCCCC3)n2)Oc2c1ccc1c2CCCC1 587514080 FJZRBPJRPQZWGQ-JOCHJYFZSA-N 364.489 5.049 0 1 FKAF CC1(C)[C@H](Oc2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526376 VCUQMKCAJBBIIQ-QPPBQGQZSA-N 362.469 5.147 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c2c1 587640410 CURJGZLGPXEVOG-OAHLLOKOSA-N 361.435 7.294 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587952710 VWZJANOKHSAXTB-WBIUFABUSA-N 358.379 5.767 0 1 FKAF CC(C)Oc1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956335 XIDVWANLGTWRJL-NRFANRHFSA-N 356.469 5.725 0 1 FKAF FC1(F)Oc2cc3nc(/C=C\c4cccc5ccccc45)[nH]c3cc2O1 587969097 PXNAUPPHUYFCBJ-HJWRWDBZSA-N 350.324 5.208 0 1 FKAF CC(C)=C[C@H]1C[C@](C)(/C=C/c2cccc3c2NCC3)c2cc3[nH]ccc3cc21 685935404 GKHRETADSMOCEN-CSEYZPLKSA-N 368.524 6.561 0 1 FKAF biogenic,in-vitro Cc1ccc(CC[C@@]2(c3ccc(C)cc3)NCCc3ccc(F)c(C)c32)cc1 962377417 RIRIRCCSUQILLD-SANMLTNESA-N 373.515 5.773 0 1 FKAF CCCCC(=O)Oc1cccc2ccc(-c3ccc(C(F)(F)F)cc3)nc12 1857571591 MFRLELXSLSXJNQ-UHFFFAOYSA-N 373.374 6.016 0 1 FKAF C[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2CN[C@H]1c1cn(Cc2ccccc2)c2ccccc12 61959021 ICPQSTROCYLRPU-FFPQZEAJSA-N 370.540 5.632 0 3 FKAF Cn1c(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)c1-c1ccsc1 1861866 QHGDCDOZSYUKSH-UHFFFAOYSA-N 359.450 5.816 0 1 FKAF CC[C@@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 13304208 AOUWTGIEFIEWFQ-VEYUFSJPSA-N 371.524 5.719 0 1 FKAF CC(C)CCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 13437720 IAEUEUWYHMOUPV-UHFFFAOYSA-N 357.513 6.215 0 1 FKAF Cc1cc(C(C)(C)C)ccc1[C@H](C)NC(=O)Nc1cccc2cnccc12 14973671 FCULURVPUPQHAV-INIZCTEOSA-N 361.489 5.723 0 1 FKAF C=C[C@@]1(C)[C@@H](N=C=S)[C@@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@@H]2C[C@H]1Cl 15267213 HYTBZXQKYMTBRU-NMZRWAFMSA-N 370.949 5.834 0 1 FKAF biogenic c1ccc2c(c1)CCC[C@@H]2CCCCN1CCN(C2CCCCC2)CC1 22931111 TVHNNUAZUKDSIT-QFIPXVFZSA-N 354.582 5.227 0 1 FKAF CC1=CC[C@H]2[C@@H](C1)c1c(O)cc([C@@H](C)[C@H](C)C3CCCC3)cc1OC2(C)C 26667394 USDMFBBEDJJVQK-PZBISTMVSA-N 368.561 6.933 0 1 FKAF Clc1ccc(-c2cc(-c3ccoc3)cc(-c3ccccc3Cl)n2)s1 45337264 BRIUZJOKRZLITQ-UHFFFAOYSA-N 372.276 7.044 0 1 FKAF CCO[C@H](c1ccc(C(F)(F)F)cc1)[C@H](OC(C)(C)C)n1cnc(C)c1 45355887 OZBDUANXCWNNPS-SJORKVTESA-N 370.415 5.302 0 1 FKAF CSc1ccc(-c2cc([C@H](C)C(=O)O)ccc2C[C@H]2CCCC2=O)cc1 72104567 DTRGKAXVIJTRPB-KBXCAEBGSA-N 368.498 5.175 0 1 FKAF Cn1c2ccccc2c2cc([C@@H]3Nc4ccccc4[C@@H]4OCCC[C@H]34)ccc21 72114375 IXTQJQJPDRZVRA-NGXZDTIWSA-N 368.480 5.966 0 1 FKAF CC(C)(C)c1ccc(-c2cc(NCc3cccc4ccccc34)ncn2)cc1 82161337 YMSNQZXBWBARAV-UHFFFAOYSA-N 367.496 6.206 0 1 FKAF COc1ccc2c(c1)CCC[C@@H]2CCCCN1C(C)(C)CCCC1(C)C 95601867 KJPDPSSXAGVPTL-IBGZPJMESA-N 357.582 6.329 0 1 FKAF CCOC(=O)/C=C/C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@H]1C(C)(C)CCC[C@@]12C 96914573 BGBHRGHJXNICTI-IGHCENTOSA-N 374.565 5.986 0 1 FKAF Cc1cc(C)cc(Oc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)c1 103189638 DLNAWUAXPGJJNS-UHFFFAOYSA-N 358.363 5.880 0 1 FKAF CC1(C)Nc2c(cc(-c3ccnc4ccccc34)c3c2CCC3)C(C)(C)C1=O 142176708 HUCBONZUXBWCJO-UHFFFAOYSA-N 370.496 5.441 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)cc1 586897932 AEQDCTXHZCEZQR-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2)cc1 586899511 ZKUAVLZSNBPGQO-UHFFFAOYSA-N 355.319 5.016 0 1 FKAF C[C@H]1CCc2sc(-c3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)cc2C1 587034332 SLNIYWUAUTVORZ-AWEZNQCLSA-N 372.493 5.647 0 1 FKAF O=C(c1cccc(Cl)c1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104624 VIZXJWKBCCCWBG-UHFFFAOYSA-N 369.807 5.331 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)CCCN4)nc3cccc1c23 587107272 RKCNKQCJDILQBB-UHFFFAOYSA-N 362.432 5.471 0 1 FKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cccc(F)c4[nH]3)cc2F)c1 587143797 ZMMSLSFGGOJPPP-UHFFFAOYSA-N 370.786 5.837 0 1 FKAF COc1ccc(C2(C(=O)c3coc4ccc(Cl)cc34)CCCC2)cc1 587275449 AGROMRGTCSREOU-UHFFFAOYSA-N 354.833 5.790 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C(C)C)CC3)c1 587365912 JOQPSFUFDMAQBU-INIZCTEOSA-N 371.480 6.418 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H]1C[C@@H]3C=C[C@H]1C3)CC2=O 587488351 IYNWSTIHFCOVGH-PTUXEOADSA-N 374.480 5.418 0 1 FKAF COc1ccc([C@H](C)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524229 KPTWLFGVLGTNCP-WNSKOXEYSA-N 350.458 5.102 0 1 FKAF O=C1C[C@H](c2ccc(C3CCCC3)s2)Oc2c1ccc1c2CCCC1 587533957 ZUMYFIAQHPGWIA-LJQANCHMSA-N 352.499 5.991 0 1 FKAF O=C1C[C@@H](c2ccccc2-c2nccs2)Oc2c1ccc1c2CCCC1 587536144 SANGRCYTVIBQDF-FQEVSTJZSA-N 361.466 5.395 0 1 FKAF Cc1ccc(OCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 587565702 QMIFHIKAGQHGHV-UHFFFAOYSA-N 356.731 5.002 0 1 FKAF CCc1cc(CC)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587604794 YRLWJSZQYYMBAV-URXFXBBRSA-N 374.436 5.220 0 1 FKAF Cc1cc(F)ccc1NC(=O)c1c(-c2ccccc2)[nH]c2cc(F)ccc12 587634272 FIRYLDRIESOBHG-UHFFFAOYSA-N 362.379 5.674 0 1 FKAF CCc1c(-c2cc3c(cc2N)OCCO3)[nH]c2ccc([C@H](C)CC)cc12 587641380 FJVXEQZNSQORDT-CYBMUJFWSA-N 350.462 5.264 0 1 FKAF CC[C@@]1(c2cccc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814769 VNOITBCCCQDBLE-DJJJIMSYSA-N 362.286 5.084 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2-c2nccs2)N1 962943386 GRQHGMZNGGWQDS-VLIAUNLRSA-N 359.498 5.305 0 1 FKAF CC(C)(C)c1ccc(-c2nnc(-c3c[nH]c4c3Cc3ccccc3-4)o2)cc1 1772653412 ZJLYKPVNTSMYEG-UHFFFAOYSA-N 355.441 5.600 0 1 FKAF CN(C(=O)CCn1c(C2CCCCC2)nc2ccccc21)C1CCCCC1 1857587067 FOCURLRNAHEEJD-UHFFFAOYSA-N 367.537 5.265 0 1 FKAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356833686 KIQFUORWRVZTHT-CRCBOYBHSA-N 374.565 5.715 0 1 FKAF Cc1cc(/C=C/c2ccc(C(C)(C)C)cc2)ccc1CN1CCC[C@@H]1CO 2382243533 OHGDFQHDORHRMH-PRSVDJLGSA-N 363.545 5.420 0 1 FKAF CCOC(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)OCC 599763 ZVFAJJUAHFGWJE-UHFFFAOYSA-N 368.502 5.235 0 1 FKAF C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1F)C(C)(C)CCC2(C)C 13738453 JZDOYAVNMGSJNE-UHFFFAOYSA-N 352.449 5.934 0 1 FKAF Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccc4ccccc4c3)[nH]c2c1 13862744 DAUSNPVLXKKGNQ-WOJBJXKFSA-N 362.423 5.542 0 1 FKAF CN(CCCCC(c1ccccc1)c1ccccc1)CCc1ccccc1 26277184 LUQJBRFOSRTTRI-UHFFFAOYSA-N 357.541 6.163 0 1 FKAF C[C@@H]1CC=C([C@H](Oc2ccc(Br)cc2)c2ccccc2)CC1 26848683 JPPODZMGZNOWLX-FOIQADDNSA-N 357.291 6.316 0 1 FKAF CCCCC[C@H](O)CCC[C@@H](CCCc1ccc(C(=O)O)cc1)C(C)=O 27076170 NWAXWKDLBCWWIE-CTNGQTDRSA-N 362.510 5.024 0 1 FKAF CCCC/C=C\CCCCCCCCCCCCCCCCC(=O)O 33822168 BSDQMUMDKOWNMX-WAYWQWQTSA-N 352.603 8.059 0 1 FKAF Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1C 49035064 HHUHDROQLLILRW-CJFMBICVSA-N 361.529 6.011 0 1 FKAF CC(C)(C)CC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3s2)cc1 72141288 FAXGDSGIEMETRS-UHFFFAOYSA-N 358.894 5.991 0 1 FKAF CCc1cnc(-c2cnc(N[C@H](C)CC)nc2-c2ccc(F)cc2)s1 82164859 IWRDKZIOAFLBJM-GFCCVEGCSA-N 356.470 5.179 0 1 FKAF Cc1c(-c2ccc(Oc3ccc(Cl)cc3)cc2)[nH]c2ccccc2c1=O 84652585 PCULMJMGMIJMGM-UHFFFAOYSA-N 361.828 5.949 0 1 FKAF Clc1ccc(O[C@@H](c2ccc3ccccc3c2)C2CNC2)cc1Cl 95554480 FMNHTBXXYZCSCU-FQEVSTJZSA-N 358.268 5.486 0 1 FKAF CC(=O)OC/C=C(\C)C[C@H](C)C[C@H](C)CCCCCCCCC(C)C 103176509 YOKQQBWIWJYSNO-JNBKCATLSA-N 352.603 7.325 0 1 FKAF Cc1ccc(F)cc1-c1ccc2c(Cl)c(NC(=O)C3CC3)ncc2c1 169699979 TXQXOKCPYYYCKC-UHFFFAOYSA-N 354.812 5.351 0 1 FKAF CC(C)Nc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1 169703768 LIOSFQPVJIUPNZ-UHFFFAOYSA-N 370.859 5.369 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@@]4(C)[C@H]3CC[C@@]12C 253921128 RPKLZQLYODPWTM-QNANNFJUSA-N 360.582 6.536 0 1 FKAF C/C=C(/C)C(=O)O[C@@H]1CC=C(C)CCCC(C)(C)[C@@H](OC(C)=O)C=C1C 299811538 DJZAMDRFIUQAJH-ZHTJDKRCSA-N 362.510 5.289 0 1 FKAF CCc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1CC 586879337 OJLNCNRDPUDBDN-UHFFFAOYSA-N 354.453 5.586 0 1 FKAF Cc1ccc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2n1 586981210 FKDICGHQFMBGCI-UHFFFAOYSA-N 374.282 5.121 0 1 FKAF FC(F)(F)Oc1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587085000 MEKGJJBXHRDASR-UHFFFAOYSA-N 363.726 5.330 0 1 FKAF CSc1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587163097 GZNNHJXJBBQPIP-WJDWOHSUSA-N 366.486 6.074 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cc(Cl)cc(Cl)c13)O2 587379823 LHOXWAUOPKUFDW-INIZCTEOSA-N 361.228 5.072 0 1 FKAF CC(C)[C@@]1(Cc2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501877 AKOIEFUEAUDBSZ-HSZRJFAPSA-N 352.449 5.307 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(Cn3ccnc3)c2c1 587640491 AQHHALRJWXNBBL-MRXNPFEDSA-N 359.473 5.602 0 1 FKAF Cc1[nH]c2ccccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587806162 VKGXWHGBROTDDA-DGIBIBHMSA-N 373.269 5.002 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2C2CCCC2)N1 587818138 CBOFARBLFMRRPV-KPAZRMRSSA-N 366.318 5.308 0 1 FKAF COc1ccc(C2(c3nc4cc(F)cc(F)c4[nH]3)CC3(CCC3)C2)cc1 587934959 JHRHNGQEQXEGDT-UHFFFAOYSA-N 354.400 5.100 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 587937896 RAHTWJCLKPKTIS-NRFANRHFSA-N 371.484 5.444 0 1 FKAF C(=C/c1ccccc1Oc1ccccc1)\c1nc2cnc3ccccc3c2[nH]1 587949600 IHBWQIFJKOUKRB-CCEZHUSRSA-N 363.420 6.074 0 1 FKAF C/C(=C/c1nc2ccc(I)cc2[nH]1)C1CCCCC1 587966746 GQGHTJLAHCALGJ-LUAWRHEFSA-N 366.246 5.151 0 1 FKAF Cc1cc2c(cc1F)[C@@](c1c(C)c(C)cc(C)c1C)(C(F)(F)F)NCC2 962295250 CVKCBKJWRXSIMR-HXUWFJFHSA-N 365.414 5.319 0 1 FKAF Cc1c(F)cc(Cl)c([C@H]2NCCc3cc(-c4ccccc4)ccc32)c1F 962665933 RPPIJIXOOQDJIU-QFIPXVFZSA-N 369.842 5.829 0 1 FKAF Cc1cccc2ccc3c(c12)CC[C@]1(C)C3=CC[C@@H]1[C@H](C)C=C[C@H](C)C(C)C 2356719709 FPQQKAKTGXPOSV-MWDUZBEVSA-N 372.596 7.988 0 1 FKAF CCCCNc1c(-c2ccc(S[C@H](C)CC)cc2)nc2ccccn12 36382300 HJVVKXSDFNVOSO-MRXNPFEDSA-N 353.535 6.104 0 3 FKAF Cn1c(-c2cccc(C(F)(F)F)c2)cc2c(Nc3ccncc3)nccc21 205231459 SCKYMVGKZWZHDP-UHFFFAOYSA-N 368.362 5.398 0 3 FKAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CNCCCCc1ccccc1)O2 13651352 UACDBZLFPCRZBA-DEOSSOPVSA-N 367.533 5.014 0 1 FKAF CCCN(CCC)[C@H](C)Cc1ccc(OC)c(OCCc2ccccc2)c1 13801130 VZFHLHIMVSHSLU-HXUWFJFHSA-N 369.549 5.370 0 1 FKAF C[C@@H]1CCN(c2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)C1 13835110 XYFVVVNJTQLXTL-MRXNPFEDSA-N 368.908 5.169 0 1 FKAF O=C1C[C@@H](c2ccccc2)c2c(ccc3cc(Br)ccc23)O1 29136236 MJBSTCRRPXSAHA-INIZCTEOSA-N 353.215 5.043 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC[C@@]21C 33820882 BCMBRGZVZCQHFO-GCIZHPIPSA-N 372.549 5.347 0 1 FKAF CC[C@H](C)CNc1cc(-c2[nH]c(SC)nc2-c2ccc(F)cc2)ccn1 40934937 UONTXHJQWUXNHY-ZDUSSCGKSA-N 370.497 5.458 0 1 FKAF CCCCCC1=NN(C(=O)NC2CCCCCCC2)C[C@H]1c1ccccc1 62225228 ZZXRSBQQNVJSCT-NRFANRHFSA-N 369.553 5.845 0 1 FKAF CC(C)c1c(O[C@H]2CCCC[C@H]2C)cc(Cc2ccc(Cl)cc2)[nH]c1=O 95587658 BPUZMPXCUWYQIB-BEFAXECRSA-N 373.924 5.700 0 1 FKAF Clc1ccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)cc1 96910037 PXKOBOQZUOWWFF-UHFFFAOYSA-N 362.904 5.329 0 1 FKAF ClC(Cl)=CCn1cc(-c2ocnc2Br)c2ccccc21 103292215 PWQIRAQXROZMDX-UHFFFAOYSA-N 372.049 5.378 0 1 FKAF CCC[C@@H](C(=O)O)c1c(C)nc2cc3c(cc2c1-c1ccc(C)cc1)CCC3 140297585 UUOMQPGFCVLGQA-HXUWFJFHSA-N 373.496 5.976 0 1 FKAF CCOC(=O)c1c(-c2ccccc2)oc2ccc(Oc3ccccn3)cc12 169337529 JUYXQGGAQBFCTJ-UHFFFAOYSA-N 359.381 5.464 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3O)cc(-c3ccc(O)cc3)n2)cc1 299827181 GLZODLDZLGFTFX-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4cc(OCc5ccccc5)ccc4[nH]3)cc2C1 587033482 IYDDYGICUATBRL-OAHLLOKOSA-N 374.509 5.995 0 1 FKAF C[C@H]1CCc2sc(-c3nc4cc(F)c(Br)cc4[nH]3)cc2C1 587034645 WQBAIZXHEIVBDE-QMMMGPOBSA-N 365.271 5.318 0 1 FKAF CC(C)(C)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048624 IXDNHPAJQPBSPI-OLZOCXBDSA-N 359.300 6.438 0 1 FKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(Cl)cc4[nH]3)c2)c1 587050296 NSJRGIAANWTBFX-UHFFFAOYSA-N 367.235 6.016 0 1 FKAF FC(F)(F)c1cccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587111444 CWCOQKRPZZUHQO-UHFFFAOYSA-N 364.676 5.921 0 1 FKAF O=C1C[C@H](c2c(Cl)ccc3cccnc23)Oc2c1ccc1c2CCCC1 587506742 OKBGHJJBNZKOGJ-LJQANCHMSA-N 363.844 5.474 0 1 FKAF CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525265 RJXJCXQMKOEKHA-PXDATVDWSA-N 366.545 6.452 0 1 FKAF CCC[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604445 TXUXDKALUKTSPR-QOEFQVSFSA-N 352.430 5.083 0 1 FKAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl 587692046 JITBPPCTWWNRAO-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccccc3o2)N1 587827289 JJCTVPRZJRAVKL-WYRIXSBYSA-N 374.253 5.132 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)OC(C)(C)C 587860454 UKFFRCKPDNBLGD-UHFFFAOYSA-N 357.237 5.039 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(OC)c(C)cc3[nH]2)cc1 587938726 ZHMOTOCMEDYPSV-JOCHJYFZSA-N 358.441 5.069 0 1 FKAF Clc1cc(Cl)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 587955680 KPEBXFMPIQABBX-KRWDZBQOSA-N 367.279 6.244 0 1 FKAF Cc1ccc2cc(C(C)C)c(O)cc2c1CC[C@H]1OC(C)(C)OC1(C)C 1857621289 DRASSUPWKKDVOD-OAQYLSRUSA-N 356.506 5.840 0 1 FKAF C[C@H]1C[C@H]1C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 2356731111 ZZBNLFUDCSYRKU-BLNDLGHJSA-N 364.573 6.713 0 1 FKAF C[C@@H](c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)Nc1ccccc1S2 2382222460 QIYAVKNPVJPYDU-LBPRGKRZSA-N 372.320 7.353 0 1 FKAF CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)NC2CCCC2)cc1 775506 DRNGPROLSLQJCD-UHFFFAOYSA-N 354.494 5.435 0 1 FKAF N#Cc1ccc(C=Cc2ccccc2C=NNc2ccccc2)c([N+](=O)[O-])c1 4265839 CHYFQTBWBGACDI-UHFFFAOYSA-N 368.396 5.083 0 1 FKAF biogenic CN1CCC2(CC1)S[C@H](c1ccc(Cl)cc1Cl)c1ccccc12 27878688 PJWKZFXIYIVONB-SFHVURJKSA-N 364.341 5.751 0 1 FKAF c1ccc(Cn2ccc3cc(Nc4ncnc5ccccc45)ccc32)cc1 29209057 HSEFNFDMTWKPLM-UHFFFAOYSA-N 350.425 5.376 0 1 FKAF in-vivo CSc1ccc(C2=C(c3ccc(C)c(C)c3)C(=O)N3CCC[C@@H]3C2)cc1 29399793 BOEOTMVEQNQPOR-LJQANCHMSA-N 363.526 5.331 0 1 FKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Oc1ccc2c(c1)CCCN2 38224700 SXYAKSCRRITTGF-UHFFFAOYSA-N 370.758 5.328 0 1 FKAF COc1ccc(/C=C2\C[C@@H](c3ccc(O)cc3)Oc3cc(OC)ccc32)cc1 40576702 GNMNJXPBJUSUFQ-HKRNCWMRSA-N 374.436 5.474 0 1 FKAF COC(=O)CC[C@@H]1C(=C(C)C)CC[C@@H](C)[C@@]1(C)Cc1c[nH]c2ccccc12 49071053 WEVPJDIZBLFOEP-NYQDVAGCSA-N 367.533 6.052 0 1 FKAF biogenic CCc1ccc(CN[C@H]2CCCC[C@@H]2NCc2ccc(CC)cc2)cc1 66073806 NDWMCVVDVTVOAE-ZEQRLZLVSA-N 350.550 5.002 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccncc2)C[C@@H](c2ccccc2)C1 103915678 MEUMSALDYVXAIJ-HOYKHHGWSA-N 367.452 5.711 0 1 FKAF OC1=C2C(=Nc3ccc4ccccc4c3[C@@H]2c2ccc3c(c2)OCO3)CC1 104109358 SAHGYKGCQOHCQH-NRFANRHFSA-N 355.393 5.392 0 1 FKAF Fc1ccccc1-c1ccc2nccc(Nc3cccc4[nH]ncc34)c2c1 143085080 URJKXHQBSGCFJP-UHFFFAOYSA-N 354.388 5.661 0 1 FKAF CC[C@@]12C[C@](CC)(C=C1/C=C\c1ccccc1)C(=O)C[C@@H]2c1ccccc1 169350374 NLQQTNRSVHYIMW-CKOXWUGUSA-N 356.509 6.579 0 1 FKAF CN(C)c1ccc([C@@H](C[C@H](N=O)c2ccc(F)cc2)c2ccccc2)cc1 169730266 VKAHDPXFBMNEJM-GOTSBHOMSA-N 362.448 5.921 0 1 FKAF O=C(/C=C\C=C/CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 214846219 BADLEYLQAILHPV-DSBCSKTJSA-N 367.489 5.114 0 1 FKAF C[C@H](CCCO)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 261070982 ACKIMFUPMAASSZ-WVLLJSPGSA-N 362.598 5.415 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc5[nH]ncc5cc4[nH]3)cc2)CC1 586879701 HUGPOZDFBLPGJA-QAQDUYKDSA-N 372.516 6.570 0 1 FKAF Cc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2n1 586975687 PSARYHSOCGJEID-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF COc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1OC 587052146 WZQIFTQUORILMF-NXEZZACHSA-N 363.244 5.158 0 1 FKAF COc1ccc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c2c1 587139379 IBRFVUVYBZFJHC-UHFFFAOYSA-N 360.388 5.247 0 1 FKAF Fc1ccc(S)cc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587142460 BABRZUVURNGFQY-UHFFFAOYSA-N 350.418 5.237 0 1 FKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587194726 AMAUQMBMABDTDL-KRWDZBQOSA-N 371.484 5.360 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(OC(C)C)ccc3ccccc13)O2 587400300 MKMHTOWJSZYFOC-OAQYLSRUSA-N 361.441 5.224 0 1 FKAF COc1c(C)cccc1-c1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587400369 REYGTUUAFJBDDK-JOCHJYFZSA-N 373.452 5.268 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](c3ccccc3)C1)CC2=O 587481463 MMANTGFLCLMNBC-HXOBKFHXSA-N 350.458 5.407 0 1 FKAF CC[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510790 YNFVSMYMBTUOPQ-NRFANRHFSA-N 374.402 5.855 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/C2CCCCC2)N1 587813425 CLVLFBLDXVCLHZ-PRPBQZHISA-N 366.318 5.474 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1 587958403 AIWPMTSMYUGMAH-UHFFFAOYSA-N 370.349 5.979 0 1 FKAF Cc1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cc1Br 587966767 DIQYHBYXOHIOOC-MDZDMXLPSA-N 363.258 5.957 0 1 FKAF COc1ccc(F)c([C@@]2(C)NCCc3cc(-c4ccccc4)ccc32)c1F 962666624 KUQXRFKHGJEUGN-QHCPKHFHSA-N 365.423 5.050 0 1 FKAF CC1=CC[C@]2(C)CC[C@H]([C@H](C)CO)[C@@H]2CC=C(C)[C@@H]2CC[C@H](C)C2=CC1 2356325948 RTSBHYOVQSBPLR-BKBZVXLVSA-N 356.594 6.696 0 1 FKAF Cc1ccc(F)cc1NC(=O)c1cc(Cl)ccc1Nc1ccccc1 4104376 YDYIMBIBJGKUCE-UHFFFAOYSA-N 354.812 5.783 0 1 FKAF c1ccc(CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1 13740943 LGXNYFAERISAHX-UHFFFAOYSA-N 353.509 5.827 0 1 FKAF CC(C)=C(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 13743078 XYIWGTYPSQVWKX-UHFFFAOYSA-N 362.513 6.576 0 1 FKAF Nc1c(C(=O)c2ccc(F)c(F)c2)sc2nc(-c3cccs3)ccc12 27082257 QHSQMNVSDLUXPY-UHFFFAOYSA-N 372.421 5.116 0 1 FKAF C(=C/c1ccccc1)\CN(Cc1ccccc1)Cc1cccc2ccccc12 28248629 DMJGTVHTOVSOSP-XNTDXEJSSA-N 363.504 6.555 0 1 FKAF CC[C@H](C)Nc1nc2ccc(-c3[nH]cnc3-c3ccccc3F)cc2s1 29041805 OJQSRRCUFRRNTP-LBPRGKRZSA-N 366.465 5.703 0 1 FKAF O=C1Oc2ccc(C(=O)c3cccs3)cc2/C1=C/c1ccc(Cl)cc1 29400757 BCAIQYRBWYHUPX-YBEGLDIGSA-N 366.825 5.092 0 1 FKAF CCCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccccc1 49035184 CSAMESIMUONYDS-UHFFFAOYSA-N 358.489 5.338 0 1 FKAF Cc1nccc2c3ccc(OC(C)C)cc3n(CCCc3ccccc3)c12 49802988 IFYHTKVNERABAG-UHFFFAOYSA-N 358.485 5.918 0 1 FKAF Cc1cccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1Cl 84653093 FIXVALQYTKCPQE-UHFFFAOYSA-N 360.910 5.073 0 1 FKAF CN1[C@@H]2CC[C@@H]1[C@@H](c1nc3ccccc3s1)[C@H](c1ccc(Cl)cc1)C2 100773561 VNCQCMIYVRPIMZ-HNAWSFBYSA-N 368.933 5.684 0 1 FKAF CCCOc1cc(C(C)C)ccc1[C@@H]1COC(c2c(F)cccc2F)=N1 103286380 LBTDWSHURDHWSU-SFHVURJKSA-N 359.416 5.395 0 1 FKAF CC1(C)CC2=Nc3ccc4ccccc4c3[C@@H](c3cccnc3)C2=C(O)C1 103521269 LXDOCEKZRBXLAS-OAQYLSRUSA-N 354.453 6.085 0 1 FKAF Fc1ccc(Cn2ccc3c4cc(Br)ccc4nc-3c2)cc1 377816831 UNDDDMDTWXHWPE-UHFFFAOYSA-N 355.210 5.091 0 1 FKAF CC(C)(C)c1cccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 586895408 ZOKREOPIEJUPIS-UHFFFAOYSA-N 356.469 5.687 0 1 FKAF C[C@H](Cc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992492 XBUQZTICUNLCBZ-OAHLLOKOSA-N 365.432 5.498 0 1 FKAF Cc1cncc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587072479 QVDZWCVMCNMOJX-CDBBLFNESA-N 372.299 5.939 0 1 FKAF Fc1ccc(/C=C/c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(F)c1 587148641 JFFFIEFZBYMDEJ-QHHAFSJGSA-N 356.319 5.623 0 1 FKAF Cc1ccc2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355545 VHJKOQMRFMHQSE-UPVQGACJSA-N 374.411 5.040 0 1 FKAF CC[C@]12CC[C@H](C[C@@]13Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1)C2 587355648 VVDNMMVZSCIHGC-IVEKPOODSA-N 366.432 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([C@H](C)OCC)cc1)CC2=O 587478842 HJQUZPHPLJEUPA-NPMXOYFQSA-N 368.473 5.323 0 1 FKAF Cc1ccc(-c2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)no2)cc1 587526288 PEYGSEQTAPJJTA-QFIPXVFZSA-N 359.425 5.235 0 1 FKAF CC1=C(C)C[C@](C)([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587601190 FRVRGJIPASTHGD-WTIAFYNJSA-N 364.441 5.249 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCC1CCCCC1 587601717 GQSOTZWVWPQJEC-UYAOXDASSA-N 352.430 5.083 0 1 FKAF Cc1cc(C)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587815818 QKWULRSWPRIZOX-YJYMSZOUSA-N 362.286 5.003 0 1 FKAF Cc1cccc2c1[C@H](C)C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587818343 QQGZQVDGTWVFCV-VFGMZZLHSA-N 374.297 5.182 0 1 FKAF Fc1ccc(F)c(-c2csc(C(c3ccccc3)c3ccccc3)n2)c1 587921591 IWITYMDKGZIUQO-UHFFFAOYSA-N 363.432 6.269 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587952456 QWSPTHBKAXHSBP-HCKVZZMMSA-N 374.834 6.282 0 1 FKAF COc1ccc2c(c1)[C@](C)(CSc1ccc(Cl)cc1)N[C@H]1CC[C@H]21 962995263 MQRDAEARWAZCBB-HOJAQTOUSA-N 359.922 5.205 0 1 FKAF c1cncc(-c2nc(N[C@@H]3CCCc4ccccc43)c3ccccc3n2)c1 1772640130 XGFDEYBZTPSJCH-HXUWFJFHSA-N 352.441 5.181 0 1 FKAF CC1(C)CC(C)(C)c2cc(NC(=S)NCc3ccccc3)ccc2S1 1857619271 ZTVSZAVPOPFOLW-UHFFFAOYSA-N 370.587 5.725 0 1 FKAF Cc1cc(-c2nccc3c(Nc4cccc(Cl)c4)c(N)oc23)ccn1 1857774457 OEZMYBWVEZJDEH-UHFFFAOYSA-N 350.809 5.177 0 1 FKAF C[C@@H]([C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356517143 YTNIUPZRMQLHNV-ONTJHDAXSA-N 372.641 5.446 0 1 FKAF Cc1cc(C)cc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1 2382246546 RXMAJFOVJDBCJA-UHFFFAOYSA-N 362.477 5.431 0 1 FKAF COc1cccc(-c2ccc3ncnc(NCc4cc(C)cs4)c3c2)c1 36380629 IGSDWZIZPDDIGH-UHFFFAOYSA-N 361.470 5.287 0 3 FKAF Cc1c(Cl)cccc1C(=O)O[C@H](CCN(C)C)c1ccc(Cl)cc1 13684929 CTSVAXKMMQVKRO-GOSISDBHSA-N 366.288 5.152 0 1 FKAF CCCC[C@@H]1Oc2cc(F)ccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 26995159 KTYXHEXVPYONGV-IBGZPJMESA-N 351.465 6.724 0 1 FKAF COCCC/C=C/Cc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@@H]21 27753063 QVMBZYVOASLQMK-BJAZZSIWSA-N 356.506 5.528 0 1 FKAF CCC/C=C(\C)CSC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28096488 OISADBQASBHBLJ-BKRSWBDLSA-N 366.567 5.461 0 1 FKAF Clc1ccc(CO[C@H](Cn2cnc3ccccc32)c2ccccc2)cc1 28821355 JHHGRJZUQOIWCE-JOCHJYFZSA-N 362.860 5.648 0 1 FKAF CC[C@H](C)CCCCCCCCCCCCCCCCCCCC(=O)O 33822078 ZFMBTKXCQZOFGH-QHCPKHFHSA-N 368.646 8.529 0 1 FKAF biogenic CC[C@@H](C)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801282 DAXMFHJYAYLAJM-SSLVJURHSA-N 373.581 5.081 0 1 FKAF C[C@H]1C[C@H](NCc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC(C)(C)C1 72185851 QDUCWFGXRXDLME-BBRMVZONSA-N 366.427 5.665 0 1 FKAF Clc1cccc(-c2nc3cnc4cc(Br)ccc4c3[nH]2)c1 73224358 DFIZKEWOQFORTP-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF c1ccc(-c2nc(NC3CCCC3)ncc2-c2nc3ccccc3s2)cc1 82219597 LZXBKAACMWQOAQ-UHFFFAOYSA-N 372.497 5.775 0 1 FKAF CC(=O)O[C@@H](C=C(C)C)C(=O)c1c(C)ccc2cc(C(C)C)c(O)cc12 85997006 VBKPPWYSAHAAGV-FQEVSTJZSA-N 354.446 5.058 0 1 FKAF biogenic CCOC(=O)c1ccc(/C=C(C)/C=C/[C@@]23C[C@@]2(C)CCCC3(C)C)cc1 100769582 FUVXBSOHMHZVTE-NWJBQSBNSA-N 352.518 6.429 0 1 FKAF c1ccc(C2=Nc3ccccc3[C@@]23[C@H](c2ccccc2)N3c2ccccc2)cc1 103276241 VCYCTGASUJLJTF-DARYULOESA-N 372.471 6.278 0 1 FKAF Cc1cccc2c3c(ccc12)[C@]1(C)CC[C@@]2(C)[C@H](C(C)C)CC[C@@H]2[C@@]1(C)CC3 143978633 OYOIHWLYVJQMIC-FWWXEKRMSA-N 374.612 7.841 0 1 FKAF COc1ccc(C(=O)[C@@H]2C(c3ccc(OC)cc3)=CCc3ccccc32)cc1 169318352 IQHYZNUYZWQBLJ-DEOSSOPVSA-N 370.448 5.310 0 1 FKAF CC(C)CCCC(=O)CC[C@]1(C)[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 169321811 QWHLAVGDXWUWIE-WXFUMESZSA-N 371.565 5.092 0 1 FKAF c1ccc(COc2ccc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)cc1 586885711 CTCCHYORZMRFOA-PXDATVDWSA-N 366.464 5.513 0 1 FKAF Cc1cc(C)c2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc2c1 586958653 HBKVYSLADNDYMM-HHHXNRCGSA-N 374.509 5.218 0 1 FKAF COc1cc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1C 587046390 RCAQQWZDRNWHQI-UHFFFAOYSA-N 374.868 5.244 0 1 FKAF COc1cccc(-c2ccc(-c3nc4cc(Cl)cnc4[nH]3)c(Cl)c2)c1 587052325 OBNMPLWFKWHQJZ-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF Clc1ccc(C2(c3nc4c(Cl)cnc(Cl)c4[nH]3)CCC2)cc1 587077677 XCNYHGRYNLCFCL-UHFFFAOYSA-N 352.652 5.388 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C=C(c1ccccc1)C4)-c1ccccc1C2=O 587101476 UCHMUADKBNDSMW-UHFFFAOYSA-N 359.428 5.851 0 1 FKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(O)c1C 587101919 RLZINGQKIAFLPS-UHFFFAOYSA-N 365.432 5.744 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(OC(F)F)cc3)nc3cccc1c23 587103163 FVDPKWJKLXDQFI-UHFFFAOYSA-N 373.358 5.715 0 1 FKAF O=C(O)c1cc(-c2ccccc2-c2cc3c4c(cccc4n2)CC3)ccc1F 587210275 MKSSSJJKSAMQSD-UHFFFAOYSA-N 369.395 5.505 0 1 FKAF Cc1c(Cl)ccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c12 587241985 MUYYNQMPPKTCRP-UHFFFAOYSA-N 355.869 5.566 0 1 FKAF Nc1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c2ccccc2c1 587252507 YDPAOBMVHYABBK-UHFFFAOYSA-N 361.754 5.638 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1cccc4c1oc1ccccc14)[C@@H](C2)C3=O 587455527 OBRVOLIDPQPXSR-SBUREZEXSA-N 356.377 5.083 0 1 FKAF CCCc1c(O)ccc2c1O[C@H]([C@@H](C)CC[C@H](C)CC(C)(C)C)CC2=O 587490653 SXFKNFBMHYHDGX-QYWGDWMGSA-N 360.538 6.167 0 1 FKAF COC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c(C)cc(Cl)cc12 587624321 KUJUAPQCARNSLZ-UHFFFAOYSA-N 367.754 5.602 0 1 FKAF CCOc1ccccc1OCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587780188 NCXONSIAPGWAMS-UHFFFAOYSA-N 360.413 5.333 0 1 FKAF CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@]1(C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587820585 ARKQMXRHIKPENP-XQFDNXKDSA-N 366.318 5.020 0 1 FKAF COc1ccc(CCCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1OC 587926767 PDAXOLHIVWOKIP-UHFFFAOYSA-N 365.260 5.062 0 1 FKAF CCC(C)(C)[C@@]1(c2ccc(OC)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963096920 GRXBDEXCCFIETC-GBXCKJPGSA-N 367.508 5.535 0 1 FKAF CCCC1=Nc2c(NCc3ccccc3)ncnc2Sc2ccccc21 1772599791 JYJGJAYODUFWFD-UHFFFAOYSA-N 360.486 5.474 0 1 FKAF C(=C/c1ccc(-c2ccccc2)cc1)\CCCCCCOC[C@@H]1CCCN1 1857537001 GLWAJMFDIAGKGK-DIPILFDCSA-N 363.545 6.086 0 1 FKAF Fc1cc(C(F)(F)F)ccc1-c1ccc(Cn2nnc3ccccc32)cc1 1857557866 VNJKRWNEDAEXED-UHFFFAOYSA-N 371.337 5.305 0 1 FKAF Cc1ccc(O)c(COCc2cc(C)cc3c2Oc2ccc(C)cc2C3)c1 2356683252 NFLXOLFVSCCVDT-UHFFFAOYSA-N 360.453 5.731 0 1 FKAF CN(C)CCc1csc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1 2382227211 JQDZZAPGRFCSIM-UHFFFAOYSA-N 366.574 5.382 0 1 FKAF N[C@H](c1ccc(F)c(F)c1)c1nc(-c2ccc3ccccc3c2)cs1 61906240 YJPJVTRKGCGDJX-LJQANCHMSA-N 352.409 5.290 0 3 FKAF CC(C)c1cccc(-c2csc([C@@](C)(O)c3ccc(F)c(F)c3)n2)c1 61907696 OVFYEODBGFAOEE-FQEVSTJZSA-N 359.441 5.468 0 3 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2Cc1ccccn1 13741946 LYEZZXKWQAOTRN-QXMOZHRRSA-N 363.545 5.484 0 1 FKAF Cc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 33641670 JYHRPGPKUARAOF-IBGZPJMESA-N 361.272 5.456 0 1 FKAF O=C(c1cccc(-c2ccccc2F)c1)N1CCc2c([nH]c3ccccc23)C1 40847022 NWJKKFOUUINEJW-UHFFFAOYSA-N 370.427 5.173 0 1 FKAF C[n+]1cccc2c1c1cccc(Cl)c1n2CCCCCC1CCCCC1 71295567 YVIYKXTZUITMBG-UHFFFAOYSA-N 369.960 6.413 0 1 FKAF C[C@H](NCc1coc(-c2ccccc2Br)n1)C1CCCCC1 72101294 NGTZUGPLGAXAEY-ZDUSSCGKSA-N 363.299 5.163 0 1 FKAF Cc1nc(-c2cnc(NCc3ccccc3)nc2-c2ccc(F)cc2)oc1C 82164885 AABVAUUKUMQSGF-UHFFFAOYSA-N 374.419 5.167 0 1 FKAF O=C(CCCCc1ccc(-c2ccccc2)cc1)OC[C@H]1CCCCO1 84604411 PISSMKOPZHXRDK-JOCHJYFZSA-N 352.474 5.179 0 1 FKAF O=C(O)CC1=C/C(=C\c2ccc(-c3ccccc3)c(F)c2)c2ccc(F)cc21 84670101 PMHWYNJIGIBAMC-LICLKQGHSA-N 374.386 6.044 0 1 FKAF Cc1ccc(CN2[C@@H]3CC[C@@H]2CC(Nc2cccc4cnccc24)C3)cc1 100617044 RAPCYCUXNJRBES-FGZHOGPDSA-N 357.501 5.151 0 1 FKAF COc1ccccc1NC(=S)Nc1nc2c(ccc3ccccc32)s1 103293700 BTLWCNYUMCHCLE-UHFFFAOYSA-N 365.483 5.267 0 1 FKAF COc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2ccc3ccccc3c21 103880592 BVDCQHFLBDYKGR-QHCPKHFHSA-N 355.437 6.062 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccco2)C[C@H](c2ccccc2)C1 104698453 BJAICVBSBVVNKM-HJPURHCSSA-N 356.425 5.909 0 1 FKAF COc1ccc(-c2nc3cc(C(=O)O)ccc3cc2-c2ccccc2)cc1 144418915 LAGVBLRSVWFBOJ-UHFFFAOYSA-N 355.393 5.276 0 1 FKAF CCN(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21 169336953 RZKSCIPGCFHGQH-NTKDMRAZSA-N 370.496 5.693 0 1 FKAF CC(C)Nc1c(-c2cccc(Cl)c2)nc2ccc(Br)cn12 207083007 WPTCSNGQXKAVFR-UHFFFAOYSA-N 364.674 5.238 0 1 FKAF O=C(O)c1ccccc1/C=C/c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586879262 KJPDVXZHHVBOPH-AATRIKPKSA-N 366.726 5.104 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC[C@@H]4C(F)(F)F)-c1ccccc1C2=O 586994717 DDZHLJJSCVVHIM-HNNXBMFYSA-N 367.370 5.737 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1ccc(N)cc1CC4)-c1ccccc1C2=O 586997664 VFYFTGKWJBZHEI-UHFFFAOYSA-N 362.432 5.102 0 1 FKAF Clc1cc(Cl)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587048164 FZPUFLYTDSKNFT-BDAKNGLRSA-N 372.082 6.448 0 1 FKAF Cc1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1F 587052029 VGBIMLNDARPAGW-UHFFFAOYSA-N 361.203 6.244 0 1 FKAF O[C@@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccccc1Cl 587058477 GRDHCBYPLDZWET-LJQANCHMSA-N 366.873 5.449 0 1 FKAF Cc1cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1Cl 587073130 CJCLLJIVUYTOQK-SFHVURJKSA-N 360.288 5.515 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc3c(cc2[nH]1)OCO3 587073842 MDPBHQOSXUDEIK-UHFFFAOYSA-N 362.816 5.587 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(F)c(F)c(F)c2[nH]1 587073909 NPIVDNJQNMZDNF-UHFFFAOYSA-N 372.777 6.276 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)c(F)c3)nc3cccc1c23 587104451 UZRPZKFFYUREDZ-UHFFFAOYSA-N 359.787 5.906 0 1 FKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2cncc(Cl)c2[nH]1 587128487 MVYFEBGBHPWFFA-UHFFFAOYSA-N 362.792 5.339 0 1 FKAF CC(C)(C)Oc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(N)cc1F 587136641 UDXANIIJDCUTJS-UHFFFAOYSA-N 367.346 5.147 0 1 FKAF Cc1cc(Cl)cc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587137803 LYEIRDRQZADTSJ-UHFFFAOYSA-N 357.585 5.232 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cccc(F)c4[nH]3)c(Cl)c2)cc1F 587145936 VHWOFTPBYPTSQU-UHFFFAOYSA-N 354.787 6.137 0 1 FKAF Fc1ccc2[nH]c(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c(Cl)c2c1 587173913 AJWLYXMQXQOHRP-UHFFFAOYSA-N 369.705 5.402 0 1 FKAF Fc1ccc2c(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)coc2c1 587174217 GODCEKSOFIEIKS-UHFFFAOYSA-N 371.240 5.164 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)cc1 587242532 OZFRXHZSOVEUAF-UHFFFAOYSA-N 355.319 5.096 0 1 FKAF COc1cccc(-c2cc(-c3cc(C)on3)nc3c2oc2ccccc23)c1 587362495 IKMALTKJZDXKRW-UHFFFAOYSA-N 356.381 5.620 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1c1ccc(OC(C)C)cc1)O2 587401040 PMDRFBZPQJBXNX-CVDCTZTESA-N 365.473 5.036 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccccc4)cc1)[C@@H](C2)C3=O 587453413 SFGVQFGLTFPFPW-CVDCTZTESA-N 374.461 5.335 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)n(C)c3ccccc13)CC2=O 587460214 HCRMAOLQFUIUGK-SFHVURJKSA-N 369.848 5.196 0 1 FKAF O=C1C[C@@H](c2c(Cl)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587497969 HROLSNAKPTXQEI-SFHVURJKSA-N 351.833 5.407 0 1 FKAF O=C1C[C@@]2(CCC[C@@H]2CCc2ccccc2)Oc2c1ccc1c2CCCC1 587521930 DRHAZNSLJKWOLX-CJFMBICVSA-N 360.497 5.702 0 1 FKAF CC(C)Sc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531084 FKJBCRJKLCKBLN-NRFANRHFSA-N 352.499 5.772 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccccn3)c(-c3ccc(Cl)cc3F)[nH]c12 587624679 OYDPMLJNBHQJHA-UHFFFAOYSA-N 371.242 6.651 0 1 FKAF COc1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(OC)c1C 587786815 GVVMWCJSASNAEJ-UHFFFAOYSA-N 370.758 5.228 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccs1 587861160 KYVLAWHZFRHGFQ-UHFFFAOYSA-N 367.257 5.006 0 1 FKAF Cc1cc(OC(C)(C)C)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O 587944592 FVAWOZBPTPLAIS-UHFFFAOYSA-N 373.399 5.739 0 1 FKAF Cc1cc(Br)cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 587965740 WDQOWESKLXVAJK-UHFFFAOYSA-N 357.295 5.473 0 1 FKAF COc1ccc(-c2cc(O)c3c(-c4cccs4)c(N)oc3c2)cc1OC 1772602685 SFSXBMONQCLMMZ-UHFFFAOYSA-N 367.426 5.133 0 1 FKAF CC(C)[C@@H]1CC[C@@]2(C)[C@@H]([C@@H]1OC(=O)C=Cc1ccccc1)[C@@]1(C)CC[C@H]2O1 2356512327 RFPFUPCCKCHQLQ-FNMCVODLSA-N 368.517 5.251 0 1 FKAF COC(=O)c1ccc(O)c(C[C@]2(C)[C@H](C)CC[C@@H]3C(C)=CCC[C@]32C)c1 2356743536 KDAMGOAZTHXKIC-BGACZQCLSA-N 356.506 5.520 0 1 FKAF COc1ccc([C@@H](c2cc3ccccc3o2)c2c(C)[nH]c3ccccc23)cc1 2382232810 YANWLBFBHJAYDF-VWLOTQADSA-N 367.448 6.411 0 1 FKAF C=C1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]3CC[C@](C)(OC(C)=O)[C@@]3(C)CC[C@H]12 26398773 FBVIOYXUKJUFCN-KWYXBTABSA-N 356.506 5.006 0 1 FKAF CCCOC(=O)c1ccc(OCCCCCCCc2cc(C)no2)cc1 27768593 YUOWDQFOWVLTBI-UHFFFAOYSA-N 359.466 5.122 0 1 FKAF CCCCOC(=O)NCCc1nc(-c2ccc(C3CCCCC3)cc2)c[nH]1 28891238 KPMNSPMNLNWVLR-UHFFFAOYSA-N 369.509 5.193 0 1 FKAF Cc1c(-c2ccc(-c3ccccc3)s2)nc2ccc(F)cc2c1C(=O)O 29322938 QXCVYYFRAMVFFF-UHFFFAOYSA-N 363.413 5.776 0 1 FKAF COc1ccc(-c2nc(-c3ccccc3)oc2N[C@H](C)c2ccccc2)cc1 38142232 UPCUPJFKCHHSOB-QGZVFWFLSA-N 370.452 6.190 0 1 FKAF Cc1ccc(Nc2ccc(CCCc3ccc(C)c(C)c3)cc2)c(C(=O)O)c1 40936384 YLLGFLNVRWAMKV-UHFFFAOYSA-N 373.496 6.229 0 1 FKAF O=C(O)CCc1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CCC2 43018489 YPTJRGFJUSTGIA-UHFFFAOYSA-N 365.860 5.439 0 1 FKAF CCCCCC[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C=C2c1ccncc1 45189304 OEPFQUBYNBPKEK-KRWDZBQOSA-N 365.517 6.464 0 1 FKAF CC(C)=C(c1ccncc1)c1ccc(-c2ccc3cc(O)ccc3c2)cc1 53243757 CNWICPKRBQBLMF-UHFFFAOYSA-N 351.449 6.449 0 1 FKAF CCCCC[C@@H](C)[C@H](C)c1cc(OC)c2c(c1)OC(C)(C)c1ccncc1-2 59687930 FRKKSADPOQHIHY-SJORKVTESA-N 367.533 6.705 0 1 FKAF c1ccc(Oc2cccc(-c3ccc4nnc(-c5ccccc5)n4c3)c2)cc1 74387363 GRFWFVDTWBXWQO-UHFFFAOYSA-N 363.420 5.856 0 1 FKAF CCc1cnc(-c2cnc(N[C@@H](C)CC)nc2-c2ccccc2F)s1 82175962 ZTFIKDOUYVDJSU-LBPRGKRZSA-N 356.470 5.179 0 1 FKAF Cc1ccc(-c2cn([C@@H](C)c3ccc4sc5ccccc5c4c3)nn2)cc1 84653357 JLIQVNNZAHRPRA-INIZCTEOSA-N 369.493 6.231 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2c(C)cccc2C)nn1 103189636 WWCWWEDMCJCGHM-UHFFFAOYSA-N 358.363 5.880 0 1 FKAF COc1ccc(/C=C/c2ccc(N3Cc4ccccc4C3=O)cc2)cc1OC 299863749 PVRGGZAYQNLSAQ-BQYQJAHWSA-N 371.436 5.035 0 1 FKAF c1ccc(Oc2ccc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)cc1 586888661 LQKLPKRIKQAGCL-GBXCKJPGSA-N 352.437 5.727 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)o1 586902880 HRHQWLZJZRTTKD-UHFFFAOYSA-N 360.310 5.956 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(Cl)cc4F)nc13)-c1ccccc1C2=O 586995082 HXNBZYHWULTGFE-UHFFFAOYSA-N 373.814 6.214 0 1 FKAF Nc1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cc1N 587047307 FZJBUXPRQDZION-UHFFFAOYSA-N 369.255 5.368 0 1 FKAF Cc1cc(C)c2[nH]c(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc2c1 587068012 WEFFVQFOYGCWHF-UHFFFAOYSA-N 362.860 5.659 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(C)cc(C)c4[nH]3)ccc2F)cc1 587139257 FAXSQJMZNTZARD-UHFFFAOYSA-N 358.416 5.855 0 1 FKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587194734 ANFLBRZPQJDEHS-INIZCTEOSA-N 357.457 5.573 0 1 FKAF COC(=O)Nc1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1 587243817 RFMYVMGYMJTOMB-UHFFFAOYSA-N 359.385 5.201 0 1 FKAF COc1cccc(-c2cc(-c3cncnc3C)nc3c2oc2ccccc23)c1 587362831 LSVYHOJRWCYDPM-UHFFFAOYSA-N 367.408 5.422 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(C(C)(C)C)nc1C)CC2=O 587494160 JSELIDSSVGWSGB-NRFANRHFSA-N 373.518 5.288 0 1 FKAF O=C1C[C@H](c2ccc(-c3cccc(F)c3)cc2)Oc2c1ccc1c2CCCC1 587500466 CBJOGDZZJAOURW-XMMPIXPASA-N 372.439 6.078 0 1 FKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC1CC1 587525821 SFJOVWKIRZXRID-HSZRJFAPSA-N 362.469 5.369 0 1 FKAF O=C1CC2(CCC(c3ccc(O)cc3)CC2)Oc2c1ccc1c2CCCC1 587533184 OJGOGUVBJFFGPX-UHFFFAOYSA-N 362.469 5.333 0 1 FKAF Cc1ccc(OCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 587565969 YHZSYFSZSGSAKC-UHFFFAOYSA-N 371.465 5.727 0 1 FKAF C[C@H](C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)CC(C)(C)C 587601427 FXZMQWXCNALABS-MDASCCDHSA-N 354.446 5.185 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccc(Cl)cc3)c(-c3cccc(F)c3)[nH]c12 587624348 HAAXJIZVPMHVQP-UHFFFAOYSA-N 370.254 7.256 0 1 FKAF Fc1ccc2c(-c3nc4ccccc4[nH]3)c(-c3cccc(Cl)c3)[nH]c2c1 587632388 AUWLWPIMROCICR-UHFFFAOYSA-N 361.807 6.171 0 1 FKAF Cc1cccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 587801920 IGISFPWEEDHPIQ-NSPYISDASA-N 373.269 5.002 0 1 FKAF CCOc1ccc(O)n1-c1cccc(Cl)c1Oc1ccccc1OC 587939663 DPKAQRVOQSWWSU-UHFFFAOYSA-N 359.809 5.036 0 1 FKAF FC(F)(F)c1cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2cc1Br 587968276 YJIGMNVVAKALSQ-DJLDLDEBSA-N 357.173 5.024 0 1 FKAF CC(C)=CCC/C(C)=C\c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587969581 ZWCSHRVFYYIQDF-XFFZJAGNSA-N 358.791 6.265 0 1 FKAF COc1cccc2cc([C@H]3NCCc4cc(-c5ccccc5)ccc43)ccc12 962667911 MUWROHWDZDKXQH-AREMUKBSSA-N 365.476 5.751 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CC[C@@H](C)C[C@@H]2C(C)(C)C(C)C)N1 962949489 FVWVVMKDDQWLFK-BZZVSFBMSA-N 366.593 6.406 0 1 FKAF O=C(O)CCCOc1ccc(-c2cc(Oc3ccccc3)ccc2F)cc1 1772650352 ZSQHPVMBVGKLJL-UHFFFAOYSA-N 366.388 5.529 0 1 FKAF CC(=CC=C[C@@H](C)CCC=C(C)C[C@H](O)C(=O)O)CCCc1ccoc1 2356313136 SVMYQJZZVIQHRV-UTKZUKDTSA-N 360.494 5.303 0 1 FKAF COc1cc(O)cc(-c2cc3cc(O)c(OC)c(CC=C(C)C)c3o2)c1 2356713447 IZDCJTVOFQGAGB-UHFFFAOYSA-N 354.402 5.037 0 1 FKAF CCCN1CC[C@@H]2c3c([nH]c4c(Cl)cccc34)[C@@H](CC)[C@@H]3CCC[C@H]1[C@@H]23 211061125 RWMHIBNBKFZTHM-IEYYFSCXSA-N 370.968 6.313 0 3 FKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2)CCC1 13833465 LFMKUPRSZLNROF-UHFFFAOYSA-N 364.533 6.177 0 1 FKAF CC(C)(C)c1ccc(-c2cncc(Nc3ccc4c(c3)OCCO4)c2)cc1 14974016 BEASIIHSNRSTND-UHFFFAOYSA-N 360.457 5.561 0 1 FKAF C[C@H]1CN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)C[C@@H](C)N1C 22937954 JQBCJANIMSRFBC-GDZMOAKWSA-N 372.915 5.080 0 1 FKAF FC(F)(F)c1cc(Cl)c2ncc(CSCc3ccccc3)n2c1 27557163 WRASOZIAWFIMJQ-UHFFFAOYSA-N 356.800 5.440 0 1 FKAF CC(C)c1cccc(-n2cc(-c3ccccc3NCc3ccncc3)nn2)c1 40861600 WQAXFHPJVWAUCA-UHFFFAOYSA-N 369.472 5.065 0 1 FKAF CCCCC/C=C\C=C\[C@@H](O)C/C=C\C/C=C\C/C=C\CCCCC(=O)O 40861700 WCPFNHAOKQUJEV-CCRANPHBSA-N 374.565 6.524 0 1 FKAF in-vitro Cc1[nH]c2ccccc2c1C1=CCN(C[C@H]2C[C@@H]2C(=O)c2ccccc2)CC1 45168484 BCXYITDQZWAHLP-IRLDBZIGSA-N 370.496 5.084 0 1 FKAF CSc1ccc2nccc(Nc3ccc(Oc4ccccc4)cc3)c2c1 45168527 QDXKPEROZKOUDG-UHFFFAOYSA-N 358.466 6.493 0 1 FKAF CCO[C@H](c1cccc(Cl)c1)[C@H](SC(C)(C)C)n1cnc(C)c1 45366953 FGZAOCWSFPMXJL-SJORKVTESA-N 352.931 5.653 0 1 FKAF Fc1ccc(-c2cnc(N(Cc3ccccc3)c3ccccc3)s2)cc1 71330685 WFDYNFWSQKHDNI-UHFFFAOYSA-N 360.457 6.288 0 1 FKAF CC[C@@H](C)Cn1c(C2CC2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181396 NSTYXBQKPHHCKD-CYBMUJFWSA-N 369.900 5.015 0 1 FKAF O=C(CCCN1[C@H]2CC[C@H]1CC(c1ccccc1)C2)c1ccc(F)cc1 100799598 LECUUDCCVOYUHG-VXKWHMMOSA-N 351.465 5.199 0 1 FKAF in-vitro COc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccsc2)c1 218300474 WLBSRNVOWBJPGJ-HXUWFJFHSA-N 362.454 5.274 0 1 FKAF Fc1c(Br)cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1F 586884132 OAZVEGVUEKXPIN-JFEPYHJCSA-N 367.237 5.071 0 1 FKAF Cc1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br 586886225 OPWWKEUWDCWHBP-AUUYWEPGSA-N 353.263 5.005 0 1 FKAF C[C@H]1c2ccccc2Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989522 AKJBOKXPRRJOCX-ZDUSSCGKSA-N 363.416 5.208 0 1 FKAF O=C1c2ccccc2-c2c(C3CC3)c(-c3ccccc3)nc3ccc(O)c1c23 586992743 ZCYDFIOMZGBVNK-UHFFFAOYSA-N 363.416 5.696 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4cc(F)c(F)cc4[nH]3)c2o1 587004580 VEHHHJNSSCKKKJ-UHFFFAOYSA-N 363.161 5.325 0 1 FKAF CCc1ccc(-c2nc(-c3nc4cnc5ccccc5c4[nH]3)cs2)cc1 587015674 HDUZVMSURXUZKR-UHFFFAOYSA-N 356.454 5.464 0 1 FKAF Clc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c(Cl)n1 587053926 JNEVBLOWIZAWTJ-PLNGDYQASA-N 359.043 5.742 0 1 FKAF Cc1ccc2c3c(c(C(C)C)c(-c4cccnc4)nc13)-c1ccccc1C2=O 587097646 OXERDSORWJYXHD-UHFFFAOYSA-N 364.448 5.940 0 1 FKAF Cc1cccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587111842 RZSXQNHLAGGATQ-UHFFFAOYSA-N 372.312 5.694 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(F)c(Br)c3[nH]2)c1F 587152238 KWYLSEPMEZPDGX-IUCAKERBSA-N 367.168 5.014 0 1 FKAF Fc1ccc(/C=C(\c2nc3cc4ccccc4cc3[nH]2)c2cccs2)cc1 587164623 UDLUTVDTSGUYDM-UNOMPAQXSA-N 370.452 6.506 0 1 FKAF COc1ccc(/C=C/c2cc3c4c(cccc4n2)CC3)cc1Br 587208032 KAOORSIZFNLVGV-WEVVVXLNSA-N 366.258 5.275 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(C)C)c(OC)cc1C)CC2=O 587482111 RYXCVVPHVDHKGE-JOCHJYFZSA-N 368.473 5.492 0 1 FKAF CCCc1c(O)ccc2c1OC1(CC2=O)c2ccsc2-c2sccc21 587495696 PXBLJQVRSDGLHI-UHFFFAOYSA-N 368.479 5.357 0 1 FKAF C[C@H]1CCc2c(F)cccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587510055 UNJDRXYMMQIUHE-LFVRLGFBSA-N 350.433 5.148 0 1 FKAF CC1(C)O[C@H](c2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587530532 CWRKMWXKIPPUFQ-URXFXBBRSA-N 362.469 5.210 0 1 FKAF CC(C)(C)C1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602802 ZCAURHCKPGJOEG-KRWDZBQOSA-N 354.446 5.185 0 1 FKAF COc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1C 587783513 BRAYSAXXVOTVHH-RAXLEYEMSA-N 370.452 5.629 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587951843 UAERRZMSOXBTOU-NSHDSACASA-N 357.335 5.270 0 1 FKAF CC1(C)CCC(Cc2nc3cc(Cl)cc(Br)c3[nH]2)CC1 587963729 RLFGNVBDQJBFDX-UHFFFAOYSA-N 355.707 5.738 0 1 FKAF Oc1ccc(-c2cc(-c3ccsc3)cc(-c3ccc(Cl)cc3)n2)cc1 653735657 KTLTWYGULUMAJQ-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF Cc1ccc2ncccc2c1[C@H]1c2ccsc2CCN1Cc1ccco1 962706197 LKADJFXLYLBRGD-JOCHJYFZSA-N 360.482 5.345 0 1 FKAF Cc1c(F)cc(Cl)c([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)c1F 963103835 OFIAALZKYTXNGO-BFUOFWGJSA-N 351.799 5.176 0 1 FKAF Cc1ccc(C=CC2=C[C@@]3(C)C[C@@]2(C)[C@@H](c2ccc(C)cc2)CC3=O)cc1 1857623078 VNDABGLWEBDVEO-DMTNHVFBSA-N 356.509 6.416 0 1 FKAF Clc1ccc2c(Nc3ccc(CN4CCCCC4)cc3)ccnc2c1 1857744620 PCNDAJAYWULLDD-UHFFFAOYSA-N 351.881 5.618 0 1 FKAF CCCCCCC(=O)CCCCCCCCC=CC(=O)N1C=CCCC1 2356499902 LLSJPMWWZSSDME-UHFFFAOYSA-N 361.570 6.339 0 1 FKAF CC(C)=CCCC1=CC[C@]2(CC1)C(=O)O[C@H]1C=C(C)CCC=C(C)CC[C@H]12 2356563393 AJMWIYWHXKOBKT-GIFXNVAJSA-N 368.561 6.838 0 1 FKAF Cc1nc(-c2ccccc2)sc1[C@@]1(C)CC(c2ccccc2F)=NO1 12726899 DDBIHZBUIMTDDJ-HXUWFJFHSA-N 352.434 5.297 0 3 FKAF COc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)n3C)cc1OC 74373072 RWPPXJBFKZUHBL-UHFFFAOYSA-N 359.429 5.001 0 3 FKAF COc1ccccc1-c1cc2c(Nc3ccc(OC(C)C)cc3)nccc2[nH]1 82082815 PUOBQJJMZGYXDM-UHFFFAOYSA-N 373.456 5.769 0 3 FKAF CCCC/C=C1/[C@H](c2ccccc2)N(C)C2=N[C@H](c3ccccc3)CC(=O)N21 205717004 OMJCCYYNBCJNOL-LDGHZDLCSA-N 373.500 5.077 0 3 FKAF CCCCc1cccc(C[C@@](C)(Oc2ccc(C(C)C)cc2)C(=O)O)c1 13604805 FWOZSBATMSQYCQ-HSZRJFAPSA-N 354.490 5.617 0 1 FKAF CCOC(=O)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 13778601 TXGYVFJZVOKOBB-FQEVSTJZSA-N 367.489 5.219 0 1 FKAF O=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1ccc(Cl)cc1 13781357 XFPHQBBTMLURPJ-UHFFFAOYSA-N 359.816 5.203 0 1 FKAF CCSCC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 14947023 WIBNXFJZSBZXAH-JZZBYWGLSA-N 358.547 5.131 0 1 FKAF CCSc1cc(-c2c(-c3ccccn3)nn3c2CCC3)c2ccccc2n1 14976370 NUPSSPXZXIEFPS-UHFFFAOYSA-N 372.497 5.219 0 1 FKAF Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 26508675 AWHRFPLTQPNOTD-UHFFFAOYSA-N 366.251 6.113 0 1 FKAF CCCCc1nc2cc(Cl)ccc2c2nc(-c3ccc(Cl)cc3)nn12 27210250 UAEQEDBUYPTJIP-UHFFFAOYSA-N 371.271 5.594 0 1 FKAF CCCN(CCC)[C@H]1CCc2cc(CCc3ccc(Cl)cc3)ccc2C1 27405904 XJCNAPNYTSUCIR-DEOSSOPVSA-N 369.980 6.105 0 1 FKAF COc1ccc(Nc2c3ccccc3nc3sc(SC)nc23)cc1 29131167 CCMQQFKNJDTUGV-UHFFFAOYSA-N 353.472 5.319 0 1 FKAF CC1(C)C[C@@H](NC(=S)Nc2ccc(Cl)cc2)c2cc(F)ccc2O1 38267342 GMBLMUZJVSLMTG-OAHLLOKOSA-N 364.873 5.068 0 1 FKAF Clc1cc(Cl)c(Cl)c(O[C@H](c2cccnc2)C2CCNCC2)c1 43077356 JPUDXOCAZQSFHB-KRWDZBQOSA-N 371.695 5.162 0 1 FKAF CCCC[C@H](CC)CN1CN2CN(C[C@H](CC)CCCC)CC2(C)C1 100379673 MSJBLPVXRJMJSY-CBQGHPETSA-N 351.623 5.026 0 1 FKAF in-man Cc1ccc(-c2nn(-c3nc4cc(Cl)cc(Cl)c4o3)cc2C=O)cc1 103180425 QKLGVBXRJZAZHF-UHFFFAOYSA-N 372.211 5.108 0 1 FKAF CC(=O)O[C@H]1OC(=O)/C2=C/C/C=C(\C)CC[C@@H]([C@H](C)CCC=C(C)C)[C@@H]21 145399595 YFMNECJVGMKBNA-ASWUEVLJSA-N 360.494 5.104 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)N(C)CCO 231934445 DZOXWGMUPHVUCW-DDHXBNBWSA-N 361.570 5.583 0 1 FKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 586879812 RRDIAWDFXRLXRU-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF CC(C)c1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(O)c(C(C)C)c1 586896185 JZXSYUNQHDDXRG-UHFFFAOYSA-N 366.461 5.344 0 1 FKAF Cc1ccc2c3c(cc([C@H]4CC4(Cl)Cl)nc13)-c1ccccc1C2=O 586993098 HZMJKIKEKUGMSD-OAHLLOKOSA-N 354.236 5.416 0 1 FKAF CCc1ccc(-c2nc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cs2)cc1 587015022 CBOPKMHVRVRPTA-UHFFFAOYSA-N 374.296 6.223 0 1 FKAF Cc1ccc2c(ccc3nc(-c4ccccc4OCc4cscn4)[nH]c32)n1 587029400 PBUZDNUMZGOPIF-UHFFFAOYSA-N 372.453 5.122 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)cncc4[nH]3)c21 587030766 KWQFRQVTSZBIPX-NSHDSACASA-N 368.893 5.570 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc(Cl)cc4[nH]3)c21 587031739 UQQFXFUCUQRBFD-LLVKDONJSA-N 368.893 5.570 0 1 FKAF Cc1cccc2c1[C@H](C)c1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101578 VNJMUPDGFOVMGC-HNNXBMFYSA-N 361.444 6.195 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cc(F)c(F)cc4[nH]3)c(F)c2)c(F)c1 587151300 HAOULMGPADJORG-UHFFFAOYSA-N 372.321 5.462 0 1 FKAF Cc1ccc([C@@H]2CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)cc1 587208229 SREHUFTYFVCQBY-KRWDZBQOSA-N 361.444 5.833 0 1 FKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3ccccc32)[C@@H]1c1ccc(F)cc1 587347976 BVIIJBSPFYCMBI-ISKFKSNPSA-N 374.411 5.122 0 1 FKAF CC(C)[C@]1(C)CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352598 MSQLLSTUZNOWOF-WWNPGLIZSA-N 368.448 5.475 0 1 FKAF COc1cccc(-c2cc(C(C)(C)C(C)=O)nc3c2oc2ccccc23)c1 587364468 AQRSQJDCGDNSHH-UHFFFAOYSA-N 359.425 5.523 0 1 FKAF CC[C@]1(c2ccc(C3CCCCC3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587402775 HORBKXBWHRIZSV-XMMPIXPASA-N 363.501 5.896 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc(C)cc4)cc1)[C@@H](C2)C3=O 587443161 PCYMACFOBOONFE-RDPSFJRHSA-N 372.420 5.285 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](CCc1c(F)cccc1Cl)CC2=O 587465035 FFTCLTFTHQYNSN-LBPRGKRZSA-N 362.828 5.104 0 1 FKAF CCCOc1ccc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497896 CBYXFEOJOYOEEC-OAQYLSRUSA-N 370.876 5.714 0 1 FKAF O=C1C[C@@H](c2c(Cl)ncc3ccccc23)Oc2c1ccc1c2CCCC1 587503219 XQJJBYNKLGDHQO-IBGZPJMESA-N 363.844 5.474 0 1 FKAF CCOC(=O)c1ccc2nc(COc3ccc(C(C)(C)CC)cc3)[nH]c2c1 587564745 PEKVIUHZBSHEDY-UHFFFAOYSA-N 366.461 5.006 0 1 FKAF Cc1[nH]c2cccc(F)c2c1CN(Cc1ccccc1)C(=O)OC(C)(C)C 587634726 CQPDUVIVBPXSIQ-UHFFFAOYSA-N 368.452 5.553 0 1 FKAF CCOC(=O)c1c(-c2ccc(F)cc2F)[nH]c2ccc([C@@H](C)CC)cc12 587642336 MXJSKJONXPLRFT-LBPRGKRZSA-N 357.400 5.803 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](c3ccccc3)C2)N1 587819650 WFVVCRBXSQNXIR-RCDCFZSISA-N 374.297 5.285 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(Cl)n1 587864407 FSAOYZBNUIVOOI-UHFFFAOYSA-N 367.758 5.005 0 1 FKAF COc1ccc(C2(c3nc4ccc(F)c(F)c4[nH]3)CC3(CCC3)C2)cc1 587936206 UDYQLKOHERKYKM-UHFFFAOYSA-N 354.400 5.100 0 1 FKAF CC(F)(F)c1nn2cc(-c3cc4c(Cl)cc(Cl)cc4o3)nc2s1 653758325 CVMRFCZPFYULTR-UHFFFAOYSA-N 374.199 5.623 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]21c2ccccc2COc2ccccc21 963110412 MWBLNBYATSWYHF-CPJSRVTESA-N 371.455 5.031 0 1 FKAF COc1ccc(-c2cc3oc(=O)cc(C)c3cc2-c2ccc(F)cc2)cc1 1772579110 ZIEMOMMAOJAXLM-UHFFFAOYSA-N 360.384 5.583 0 1 FKAF COc1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2SC3)c1 1857651598 HCXQUCZDLVZPTB-UHFFFAOYSA-N 355.850 5.155 0 1 FKAF Cc1ccc2c(c1)c(CN1CCCCC1)cn2Cc1cccc(Cl)c1 1857755732 CFHXUOVTYQSVHV-UHFFFAOYSA-N 352.909 5.637 0 1 FKAF c1ccc(-c2nnc(-c3ccc(-c4nc5ccccc5s4)cc3)o2)nc1 1911579019 FWLFHMYVMNOOPN-UHFFFAOYSA-N 356.410 5.075 0 1 FKAF CC[C@]1(CO)CCC[C@@]2(CC)[C@@H]1CC[C@H]1[C@H]2CC[C@]2(CC)[C@H](CO)[C@]12C 2356340706 VYQWCNNMMGUBMV-CXFKVPPKSA-N 362.598 5.416 0 1 FKAF CC=C[C@@H]1OC(=O)C=C[C@H]1OC(=O)C=CC(C)=C[C@@H](C)CCCCCC 2356564796 CQTZIHSZGZYODO-YSIASYRMSA-N 360.494 5.065 0 1 FKAF CC1=C[C@H](C)[C@H]2C(C)=C[C@](C)(C=CC=Cc3ccccc3)[C@](C)(C(=O)O)[C@H]12 2356705951 KNDMYWMVTUEPLZ-USDRJLJOSA-N 362.513 6.142 0 1 FKAF CC[P@](=O)(OC)c1ccc2oc(-c3cccc(C(F)F)c3)nc2c1 2382252996 CVTIBCMNXPQIRG-DEOSSOPVSA-N 351.289 5.002 0 1 FKAF Cc1ccc([C@H](O)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 6788547 YFBJXUQHEMIQGE-HXUWFJFHSA-N 354.342 5.337 0 3 FKAF O=C(O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1c(F)cccc1Cl)N2 4811090 RQAYLZVUULMIHY-IOZUZFHGSA-N 371.839 5.474 0 1 FKAF COc1cc([C@H]2C=CCC[C@@H]2/C=C/c2ccc(OC)c(OC)c2)ccc1O 13384122 NNDAWFGRMQFDQC-BULUQRFKSA-N 366.457 5.181 0 1 FKAF biogenic,in-vitro COc1cc(C(=O)OCC2=CC[C@]3(C)CCC(C(C)C)=C3CC2)ccc1O 13432023 YOVPRFXHMJHUMZ-HSZRJFAPSA-N 370.489 5.421 0 1 FKAF biogenic COc1ccc(N(C)c2nc(Nc3ccccc3C)nc3ccccc23)cc1 13742292 NQOYHUYWRHXOEQ-UHFFFAOYSA-N 370.456 5.458 0 1 FKAF C[C@@H](c1ccco1)N(C(=O)C12C[C@H]3C[C@H](CC(C)(C3)C1)C2)c1ccccn1 17364067 ZHZNDVBTGVLLRG-XWARPOEQSA-N 364.489 5.375 0 1 FKAF CCCCCNCCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1 27101201 DTFSDLQNBQROFA-UHFFFAOYSA-N 365.473 5.009 0 1 FKAF COc1cc(/C=C\Cc2cc(OC)c3ccsc3c2)cc(OC)c1OC 40763378 DSNWOJNSNGEXGB-WAYWQWQTSA-N 370.470 5.192 0 1 FKAF COc1cc2c(cc1Cl)CCN(C)[C@H]2Cc1ccc(Cl)cc1Cl 45286864 STXAPSRRLZILPV-KRWDZBQOSA-N 370.707 5.427 0 1 FKAF CC(C)C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCc1ccccc1 45302806 ZLNMKQBBPWXNSJ-QFIPXVFZSA-N 360.501 5.273 0 1 FKAF C[C@@H]1C[C@H](NCc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC(C)(C)C1 72185850 QDUCWFGXRXDLME-CJNGLKHVSA-N 366.427 5.665 0 1 FKAF O[C@H](CSc1ccccc1Cl)Cn1c2c(c3ccccc31)CCCC2 84729732 ANSZCQRIRIGXEN-HNNXBMFYSA-N 371.933 5.327 0 1 FKAF COc1cc([C@H]2C3=C(O)CCCC3=Nc3ccc4ncccc4c32)ccc1O 101691924 VXWGDPJHAFSNPG-OAQYLSRUSA-N 372.424 5.163 0 1 FKAF Cc1ccc(C2=NN(c3nc(O)cs3)[C@@H](c3ccccc3C)C2)cc1C 169728198 OZPOSWUAIKTCJN-LJQANCHMSA-N 363.486 5.130 0 1 FKAF CCCCC[C@H]1O[C@H](CCCCCCCCCCC(=O)OC)[C@@H](C)[C@@H]1C 238761928 KIBWZJMHKVHAES-FNAHDJPLSA-N 368.602 6.680 0 1 FKAF CC(C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 257512291 PISAKMAGVQHRRZ-UGVMRUFPSA-N 370.621 6.775 0 1 FKAF endogenous,in-man CCCn1c(-c2ccccc2/C=C/c2ccccc2)nc2ccccc2c1=O 299864280 RFHUGTAWUGCYAP-WUKNDPDISA-N 366.464 5.644 0 1 FKAF CC/C=C\CCCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586990308 AZTUNNJAVIOBBR-ARJAWSKDSA-N 371.480 6.221 0 1 FKAF Cc1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1C 587015910 XZIMNIIXLMFWAO-UHFFFAOYSA-N 374.296 6.277 0 1 FKAF C[C@H]1CCc2sc(-c3nc4c(F)c(Br)ccc4[nH]3)cc2C1 587034100 OVOXZBSRFQEBJR-QMMMGPOBSA-N 365.271 5.318 0 1 FKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cccc(F)c2[nH]1 587121414 BSPLJMQSECOJAE-UHFFFAOYSA-N 361.298 5.124 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(SC(F)(F)F)c1)O2 587381928 ISQAFKMOBQPLSG-KRWDZBQOSA-N 367.392 5.070 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1ccc(C)c(C)c1)O2 587404230 VKDUASWMBAUSPQ-RUZDIDTESA-N 371.480 5.297 0 1 FKAF CCCC[C@@]1(c2ncccc2C)CC(=O)c2ccc(O)c(CCC)c2O1 587484841 GOCDJCXMKCINQK-QFIPXVFZSA-N 353.462 5.099 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(CC[C@@H]1C(C)=CCCC1(C)C)CC2=O 587489251 NXVDEXUMEKKQMQ-DVECYGJZSA-N 370.533 6.231 0 1 FKAF C[C@@]1(c2cc(F)c(F)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587504371 IVPKVIXOKDLYEU-FQEVSTJZSA-N 362.803 5.378 0 1 FKAF Cc1ccc(O)c(-c2[nH]c3cccc(F)c3c2C(=O)c2cccc(F)c2)c1 587634152 BOEMOTNHKRVKKT-UHFFFAOYSA-N 363.363 5.358 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2Cl)N1 587696052 KPPFAYLYGPRKHR-DYZYQPBXSA-N 368.677 5.039 0 1 FKAF Cc1cccc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 587801213 DRSVKEVLGRLPMX-WLRWDXFRSA-N 373.269 5.002 0 1 FKAF CCCCCC[C@]1(CCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587812646 KCQMDQTVNQXECA-KUHUBIRLSA-N 370.350 6.088 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2CCCC3)N1 587822295 JSIGTNYTIAAPFX-MPBGBICISA-N 374.297 5.091 0 1 FKAF Cc1ccc(-c2cc(O)n(-c3ccc(O)c(-c4ccccc4)c3)c2O)cc1 587926149 LJVIFFRNSPCPSH-UHFFFAOYSA-N 357.409 5.237 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(Cl)cc(C)c4[nH]3)c2)c1 587933389 ZMYQFVSNKFIACG-UHFFFAOYSA-N 364.832 5.573 0 1 FKAF Clc1cccc(-c2noc(/C=C/c3ccc(Br)s3)n2)c1 653796622 NDOLSVXKJQNCCC-FNORWQNLSA-N 367.655 5.384 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCCCC(=O)OCC)C1CCC1 963231345 QMSPEBXRXCCACS-CYFREDJKSA-N 371.565 5.462 0 1 FKAF COc1cccc(N[C@H]2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)c1 1857539388 WTKJOOPXGBZZHT-UTHIKGHZSA-N 371.609 7.155 0 1 FKAF Oc1ccccc1-c1cc(-c2ccc(F)cc2)nc2c1Cc1cccc(O)c1-2 1857605217 WTMGLJZGXJVDQG-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CC(C)=CCC(C)=CCC(C)=CCC[C@@]1(C)CCc2cc(O)ccc2O1 2356794205 LAFWGERDGWLBSH-DEOSSOPVSA-N 354.534 6.895 0 1 FKAF C[C@]12CC[C@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CCC2=O 4166599 HKUKRSLIEVXDMS-MTQWNXOMSA-N 374.480 5.331 0 3 FKAF in-vitro COc1ccc(CN[C@@H]2CCC23CCC(c2ccccc2)CC3)cc1OC 205707799 WLLQQMMQYRUZMF-SDPJGKNGSA-N 365.517 5.300 0 3 FKAF COc1ccc(-c2nc3c4ccccc4ccc3n2C2CCCCC2)cc1 27717961 DBGNXMDAXWMQRR-UHFFFAOYSA-N 356.469 6.370 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(O)cc1-2 28825567 UNSSGNVPLKLAPB-UHFFFAOYSA-N 368.517 6.640 0 1 FKAF in-vivo CCOC(=O)c1c(CCCc2ccccc2)[nH]c2c1cc(O)c1ccccc12 40940487 NOZBIELOVXNVEA-UHFFFAOYSA-N 373.452 5.379 0 1 FKAF Cc1ccc(-c2cc(-c3ccoc3)cc(-c3ccc(Cl)s3)n2)cc1 45335839 NADLCUWKJLKNLC-UHFFFAOYSA-N 351.858 6.699 0 1 FKAF O=C(c1ccc(NC2CCCCC2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 64559412 LFMHTUADSRDWLA-LEWJYISDSA-N 353.893 6.071 0 1 FKAF Cn1c2ccccc2c2cc([C@H]3Nc4ccccc4[C@@H]4OCCC[C@H]34)ccc21 72114376 IXTQJQJPDRZVRA-WVQWTBLQSA-N 368.480 5.966 0 1 FKAF c1ccc(Nc2cccc(Oc3cncc(NCC4CCCCC4)n3)c2)cc1 82068557 OVAVWUHLTYUJJM-UHFFFAOYSA-N 374.488 6.005 0 1 FKAF c1ccc(-c2cccc(Nc3ncnc4cc5c(cc34)OCCCO5)c2)cc1 96283120 WRSMBOCJQHDXNC-UHFFFAOYSA-N 369.424 5.202 0 1 FKAF CN1[C@@H]2CC[C@@H]1[C@@H](c1cc(C(C)(C)C)no1)[C@@H](c1ccc(Cl)cc1)C2 100985441 MCXVQEGECPBTDZ-VIPLHTEESA-N 358.913 5.359 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccccn2)C[C@H](c2ccccc2)C1 102563680 XVGNNWYEOHOOTA-XDHUDOTRSA-N 367.452 5.711 0 1 FKAF O=C(Nc1ccccc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 103259404 OINGGIRCHVZJOH-UHFFFAOYSA-N 364.792 5.187 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)NC(C)C 169715931 WBSLDSCOACRTJM-NKXWDUBDSA-N 360.586 6.450 0 1 FKAF CCCC/C=C\c1cc2ccc(Cl)cc2n1C(=O)C[C@@H](C)CC(=O)O 299838972 PDJASCSKSNEQFL-LMVHVUTASA-N 361.869 5.639 0 1 FKAF O=c1cc(/C=C/c2ccccc2)occ1Oc1ccc(Cl)cc1Cl 473112963 GUKRSHZGJFHNSP-SOFGYWHQSA-N 359.208 5.909 0 1 FKAF CC[C@]1(C)C[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586892054 SYHCIPUBFHJIHQ-ISVAXAHUSA-N 363.177 5.128 0 1 FKAF Cc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1Cl 587017284 IQYACQSYWPOSPW-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF Clc1ccc(C2(c3nc4cccc(Br)c4[nH]3)CCC2)cc1 587077662 WQXPIEGCBGOGKF-UHFFFAOYSA-N 361.670 5.449 0 1 FKAF Cc1ccc2c3c(cc(Cc4ccc(O)cc4)nc13)-c1ccccc1C2=O 587100994 JHDRPTVNVMKTPF-UHFFFAOYSA-N 351.405 5.051 0 1 FKAF O=C(O)c1ccc(-c2cc(-c3nc4cccc(F)c4[nH]3)ccc2F)cc1F 587138534 MHLMERGBEWUGED-UHFFFAOYSA-N 368.314 5.012 0 1 FKAF Cc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc2c1 587144037 FJZYHVFAFFUPGR-UHFFFAOYSA-N 360.388 5.351 0 1 FKAF Cc1c(-c2ccc3c(c2)OCO3)nc2cccc3c2c1-c1ccccc1C3=O 587209167 LTBHYMVAEXTMJL-UHFFFAOYSA-N 365.388 5.150 0 1 FKAF C[C@]1(CC2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356470 QNGFZIKEPILMKT-RBBKRZOGSA-N 354.421 5.229 0 1 FKAF COc1cccc(-c2cc(-c3ccccc3O)nc3c2oc2ccccc23)c1 587366815 QUYVINMQMJZVNN-UHFFFAOYSA-N 367.404 6.029 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](C1(c3ccccc3)CCCC1)CC2=O 587484473 SGFVLQQFRTWLJJ-OAQYLSRUSA-N 350.458 5.191 0 1 FKAF C[C@@H](c1ccc(Cl)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587498292 FCLVNRCCTSQAMP-RCDICMHDSA-N 354.877 5.746 0 1 FKAF CC[C@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587510623 WLUBXXDUZHUIAE-OAQYLSRUSA-N 374.402 5.855 0 1 FKAF O=C(c1ccc(OC(F)F)cc1)c1c(C(F)(F)F)[nH]c2cccc(F)c12 587633732 KEBGCMNNBBSFNV-UHFFFAOYSA-N 373.252 5.158 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(CCOc3ccc(Cl)c(C)c3)c2c1 587641141 KODQEKLRPQNIQP-CQSZACIVSA-N 355.909 6.573 0 1 FKAF CCCC[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587705510 MXDMVENJHFAHDG-OTYXRUKQSA-N 368.212 5.070 0 1 FKAF Cc1cc(F)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 587784340 QJZZTEQZUMNUST-FMIVXFBMSA-N 358.416 5.760 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(F)cc(F)c1 587865321 USLRQGRFTPBOBZ-UHFFFAOYSA-N 368.305 5.235 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1CCCCC1 587865750 HOLBJQNTJKJZAO-UHFFFAOYSA-N 366.383 5.188 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)c1 587933585 RLIOOPFPPKLCEF-UHFFFAOYSA-N 370.330 5.028 0 1 FKAF CCOC(=O)c1ccc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2c1 587959811 QMBJTRGOCXAMGG-UHFFFAOYSA-N 370.452 5.306 0 1 FKAF C[C@]12CC[C@@H]3c4cc(-c5cccc(F)c5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O 1772586966 XJRDAVUQKOKMGM-QNJCZANYSA-N 364.460 5.624 0 1 FKAF NCCc1c[nH]c2ccc(OCCCCCCCc3ccccc3)cc12 1772588816 NHMAAQKCBWMNSL-UHFFFAOYSA-N 350.506 5.241 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc3c(c2)OCO3)c1 1772642687 HLUHOLJVHDSVRY-UHFFFAOYSA-N 366.804 5.380 0 1 FKAF CC(=O)OCC=C(C)CCC1=C(C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]12C 2356684746 VYHQRVHVJIOYAH-NNWRFLSQSA-N 362.510 5.284 0 1 FKAF CC[C@H](O)CCCCCC=CCCCCCCCc1cc(O)cc(O)c1 2356803515 XEDGDIMDGZCJGE-NRFANRHFSA-N 362.554 6.259 0 1 FKAF C[C@@H]1CCC(=O)N(CC[C@H](Sc2ccccc2)c2ccccc2)CC1 15937130 RKIZIQJHAAXSDO-NQIIRXRSSA-N 353.531 5.559 0 3 FKAF Cc1ccc(-c2csc([C@@](O)(c3ccccc3)C(F)(F)F)n2)cc1C 61897204 KEAUTUBZLBSVFV-SFHVURJKSA-N 363.404 5.225 0 3 FKAF Cc1cc(CCCc2ccccc2)c(SCCCCCC(=O)O)s1 13726637 WPQLUYYETFQJBF-UHFFFAOYSA-N 362.560 5.969 0 1 FKAF C[C@H](CNCCOc1ccc(/C=C/c2ccccc2)cc1)c1ccccc1 26500213 WNJQYWRTNXZZRC-JNCYCUAHSA-N 357.497 5.629 0 1 FKAF in-vitro CCCCC/C=C\C/C=C\C1(/C=C\C2(/C=C\CCCC(=O)O)CC2)CC1 28525951 MLRLNOUSKPAJPL-UNYMXMJMSA-N 356.550 6.997 0 1 FKAF COc1ccc(OC)c(OCCCCCCCCCCCCCCO)c1 40566891 XDZYZIKCFMMDAJ-UHFFFAOYSA-N 366.542 5.756 0 1 FKAF CCCCCC[C@@H](O)C/C=C\CCCCCCCc1nc2c([nH]1)CCCC2 40938282 NIFFFPDSMPDRAY-ZDKIGPTLSA-N 374.613 6.449 0 1 FKAF CCc1ccc([C@@H](Nc2cc(F)c(F)c(F)c2)[C@H]2CCCCC2=O)cc1 66262513 GDZPAIJJZDKKON-HRAATJIYSA-N 361.407 5.579 0 1 FKAF COc1cc(-c2nc(C)nc3[nH]c(C)c(Cl)c23)c(Cl)cc1Cl 71340965 AXILFFFRRPESNK-UHFFFAOYSA-N 356.640 5.211 0 1 FKAF 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 118930221 AZFLHSKQKSZOET-IAHJDQBVSA-N 374.565 5.283 0 1 FKAF CCCN(CCC)C[C@@H](O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 169332032 HBBSTCVRSBWCMO-RUZDIDTESA-N 374.528 5.571 0 1 FKAF C/C=C(\C)C(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@H]12 238765270 RBSYKCMZHUVTOE-OZKQDAPRSA-N 370.577 6.631 0 1 FKAF CC[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1cc(C)ccc1F 253977261 CCRXMTHZKHHYRR-VKGYTVAMSA-N 363.476 5.436 0 1 FKAF Clc1cc(Cl)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 587017639 OHPOXLPKXBTGNG-UHFFFAOYSA-N 350.230 5.177 0 1 FKAF CCc1cc(OCc2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1Cl 587052676 HROMJKQJIWHEHV-UHFFFAOYSA-N 356.640 5.060 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4CC(C)C)-c1ccccc1C2=O 587100631 MYJMZWYAYIHSBH-HNNXBMFYSA-N 369.464 5.400 0 1 FKAF O=C1c2ccccc2-c2cc([C@H]3C[C@@H]3c3ccc(F)cc3)nc3cccc1c23 587103993 LTRFNXJHHJWAGC-UXHICEINSA-N 365.407 5.856 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cnc4cccnc4c3)nc3cccc1c23 587105764 HSDLSLNKFZUEAQ-UHFFFAOYSA-N 359.388 5.056 0 1 FKAF COc1ccc(C(=O)c2ccccc2-c2nc3c(C)ccc(C)c3[nH]2)cc1F 587143601 APHPTCGOZKPWIB-UHFFFAOYSA-N 374.415 5.225 0 1 FKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(F)cc3[nH]2)c(Cl)c1 587159865 WMZYIEGKROYSGF-IBGZPJMESA-N 370.786 5.663 0 1 FKAF Cc1ccc(CCc2cnc3cccc4c3c2-c2ccccc2C4=O)cc1C 587206301 CFRQZDBAOFXOFA-UHFFFAOYSA-N 363.460 5.848 0 1 FKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cnc4ccccc4c3[nH]2)c1 587241889 KJWAGCXIJTYXPO-UHFFFAOYSA-N 358.445 5.153 0 1 FKAF CC[C@H](C)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587377645 XIWHFLDIOMVAMI-BUXKBTBVSA-N 359.853 5.114 0 1 FKAF Cc1cccc(C2(c3cccc(C)c3)CC(=O)c3cc(C)cc(N)c3O2)c1 587406546 SLUFMIHPIYOZQD-UHFFFAOYSA-N 357.453 5.103 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccc(C)o3)c1)CC2=O 587483027 QMHZEULMJXOYNN-JOCHJYFZSA-N 362.425 5.620 0 1 FKAF O=C1C[C@@]2(CCc3c(Cl)cc(Cl)cc32)Oc2c1ccc1c2CCCC1 587497067 FIKKSVMAPLAIJO-OAQYLSRUSA-N 373.279 5.679 0 1 FKAF O=C1CC2(C[C@@H]3CC[C@H](C2)N3c2ccccc2)Oc2c1ccc1c2CCCC1 587518169 CLTBTEITVLUEFZ-WPUZRXDDSA-N 373.496 5.101 0 1 FKAF C[C@]1(c2ccc(C3CCCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523963 MORRXICOZGKCEX-AREMUKBSSA-N 374.524 6.494 0 1 FKAF CC[C@]1(c2cc(C)ccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587526491 SVCXSONTTXKGEY-HSZRJFAPSA-N 350.458 5.153 0 1 FKAF Fc1cc2c(-c3ccccc3Cl)c(-c3ccccc3)[nH]c2cc1Cl 587627849 DKIQNPNPMKMWKX-UHFFFAOYSA-N 356.227 6.948 0 1 FKAF Cc1c(Cl)ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587782232 JRIWILVKWGOHDN-UHFFFAOYSA-N 364.832 5.476 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CC2)(c2ccccc2)N1 587816206 VEYHJTRGSIMRCK-ZUOKHONESA-N 374.297 5.166 0 1 FKAF CCC[C@@H]1CC(C)=C[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587820243 ZHZKBTVBDFUOBL-IQUTYRLHSA-N 366.318 5.474 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(C)cc(C)cc1C 587865823 KQEUJDBEDVZBLV-UHFFFAOYSA-N 374.406 5.882 0 1 FKAF CCCCCC(=O)C[C@@]1(c2ccccc2)NCCc2cc(C)c(F)cc21 962091600 LBKNIKAUNGGINX-QHCPKHFHSA-N 353.481 5.063 0 1 FKAF Oc1ccc(-c2ccc([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)s2)cc1 963097800 HMVYWITYPSQVJC-VGOFRKELSA-N 365.473 5.370 0 1 FKAF C[C@H]([C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356622567 IHGKQRLXUYWOQB-JAXAMVQESA-N 374.657 5.526 0 1 FKAF CO[C@](C)(CCC=C(C)Cc1cc(C)co1)[C@H]1Cc2cc(O)c(C)cc2O1 2356730098 GSAYAGNITKAJHN-DHIUTWEWSA-N 370.489 5.280 0 1 FKAF CC(C)(C)[C@H](c1nc2ccccc2[nH]1)n1c(-c2ccco2)nc2ccccc21 199229128 XYGNNYZFXGIYFR-FQEVSTJZSA-N 370.456 5.808 0 3 FKAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4Cc5[nH]c6ccccc6c5C[C@@]43C)[C@@H]1CC[C@@H]2O 263591668 XAPHYNIJAGNNNA-HZYWWPBISA-N 363.545 5.486 0 3 FKAF Clc1ccc2c(c1)-n1cccc1C(c1ccccc1)(c1ccccc1)S2 13651990 UQDZHNMCQYRRDI-UHFFFAOYSA-N 373.908 6.528 0 1 FKAF O=C(O)c1ccc([C@H]2Nc3ccc4ccccc4c3[C@H]3OCCC[C@@H]23)cc1 13979834 RAFIPRLCGYAEIN-BWAGFHJFSA-N 359.425 5.173 0 1 FKAF FC(F)(F)c1ccc(-c2cc(Oc3ccc4ncccc4c3)ncn2)cc1 14974068 TVSCHYRBYCMUIH-UHFFFAOYSA-N 367.330 5.503 0 1 FKAF C[C@H](/C=C/C(=O)O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 33820893 CZPJWQWXLQPNCL-BZGKHHHISA-N 370.533 5.123 0 1 FKAF CN(C)c1ccc(C(=O)N2c3ccccc3Oc3ccc(Cl)cc32)cc1 72109818 NSOUIZOIFKVHST-UHFFFAOYSA-N 364.832 5.490 0 1 FKAF COc1ccc(C(NC2CCCCC2)(c2ccccc2)c2ccccc2)cc1 84688599 QQUYMEXDZCWESE-UHFFFAOYSA-N 371.524 5.909 0 1 FKAF COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OCCC(C)C 95562520 GDSHMFNKQUXXAX-INIZCTEOSA-N 356.466 5.003 0 1 FKAF Cc1cccc(C2=NN(C(=O)Nc3ccccc3)C[C@@H]2Cc2ccccc2)c1 95574090 RAGYWYVHJWEEIO-NRFANRHFSA-N 369.468 5.106 0 1 FKAF CCCCCCn1c(C)c(C)cc(Oc2nc3ccccc3o2)c1=S 95602503 OFQIPQPRESJDFS-UHFFFAOYSA-N 356.491 6.348 0 1 FKAF Cc1ncc(-c2cnc(N)c3oc(-c4csc5cnccc45)cc23)s1 96282229 FJPOGNAHCZFDQR-UHFFFAOYSA-N 364.455 5.119 0 1 FKAF c1ccc(COc2cccc3nc([C@@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c23)cc1 586885957 XYIKFWWJPRGCGF-GSRZOBFVSA-N 358.485 5.610 0 1 FKAF CC/C=C/CCCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586990309 AZTUNNJAVIOBBR-ONEGZZNKSA-N 371.480 6.221 0 1 FKAF O=C1c2ccccc2-c2cc([C@@]34C[C@@H]5C[C@H]3C[C@@H](C5)C4)nc3ccc(O)c1c23 586991902 RIBFYLLYNQNSSR-SXUANUAGSA-N 367.448 5.230 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(O)cc3Cl)nc3cccc1c23 587103161 FPDKILDNBGVPQC-UHFFFAOYSA-N 357.796 5.472 0 1 FKAF Cc1nc2c(C)cccc2c(Cl)c1CCc1cc2c3c(cccc3n1)CC2 587209241 LKHIRJSPQMAEHN-UHFFFAOYSA-N 372.899 5.937 0 1 FKAF Nc1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c2ccccc2c1 587252245 ULUSGMPJYXXFGC-UHFFFAOYSA-N 359.376 5.577 0 1 FKAF O=C(c1ccccc1OCc1ccccc1)c1coc2ccc(Cl)cc12 587275889 HCOCJPYYQXOJQC-UHFFFAOYSA-N 362.812 5.896 0 1 FKAF CCC[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357552 VETJQXJHNCCIOE-DENIHFKCSA-N 356.437 5.475 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(F)(F)F)cc1)CC2=O 587464164 JWUGKUPPJDAIRF-IBGZPJMESA-N 364.363 5.244 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C3CC3)c1F)CC2=O 587467035 PQYCSKCTZPBXTJ-JOCHJYFZSA-N 354.421 5.242 0 1 FKAF O=C1C[C@H](c2c(Cl)ccc3ccncc23)Oc2c1ccc1c2CCCC1 587504970 JWYZCCLHPOPTAE-HXUWFJFHSA-N 363.844 5.474 0 1 FKAF CC(C)Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516481 UGYCSYWPMVFYEW-DEOSSOPVSA-N 373.496 5.883 0 1 FKAF Cc1c(-c2cc(Br)ccc2F)[nH]c2c(C)cc(Cl)cc12 587624777 RBHZWJAEOXJMQQ-UHFFFAOYSA-N 352.634 6.007 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)cc1O 587787724 XGSNWLFNIAFYHA-UHFFFAOYSA-N 367.408 5.159 0 1 FKAF CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=C(C)C)CC1 587817889 NOACIUHVIGKOOC-BFUOFWGJSA-N 364.302 5.394 0 1 FKAF CC(C)=CCC[C@@H](C)C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820929 RJCSXVAHAWKDLS-CKEIUWERSA-N 368.334 5.936 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc4ncccc4c3[nH]2)cc1 587936309 KONBOTRAYIHGCG-JOCHJYFZSA-N 365.436 5.300 0 1 FKAF COc1ccccc1Nc1ccnc(O)c1-c1nc2cccc(C(C)C)c2[nH]1 653724773 QKOJPEXCCASSHF-UHFFFAOYSA-N 374.444 5.206 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(Cl)c3)n2)cc1 653735708 ZHFLSRYVBFODOJ-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF FC(F)(F)C(=C[C@@H]1NCCc2c(Cl)cc(Cl)cc21)C(F)(F)F 963116096 BQNSBWLKSBRNKB-JTQLQIEISA-N 364.116 5.231 0 1 FKAF FC(F)(F)c1cccc(-c2cc3nc(NC4CCCCC4)ccn3n2)c1 61902873 JZXSUWSQTKVNHF-UHFFFAOYSA-N 360.383 5.160 0 3 FKAF CCCC[C@@H]1C[C@H]1[C@H](NC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 8607483 XBWNUARXPPYDQT-CQOQZXRMSA-N 373.496 6.244 0 1 FKAF aggregator CCCCCCc1ccc(C(=O)CCN(C)CCc2ccccc2)cc1 14968919 FGWKZYSXJPDHSP-UHFFFAOYSA-N 351.534 5.557 0 1 FKAF O=C(O)/C=C/c1ccccc1/C=C/c1ccccc1OCc1ccccc1 28131673 ATFDWTPLOUXYOC-JLXBFWJWSA-N 356.421 5.534 0 1 FKAF C=CC(=O)O[C@@H]1CCC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)=C1C 40466735 DDTNREZXXOVWPW-CELDDMJTSA-N 370.489 5.310 0 1 FKAF COc1cccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc23)c1 72113656 NHOGPPNBBMEDJS-UHFFFAOYSA-N 363.367 5.327 0 1 FKAF in-vivo Fc1ccc(C2=NN(c3ccccc3)[C@H](c3cccc4ccccc34)C2)cc1 95585055 YOWWEQRTMDLMLL-VWLOTQADSA-N 366.439 6.335 0 1 FKAF c1ccc2c(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)ccnc2c1 139469638 RPCIMQHNQDHPPO-UHFFFAOYSA-N 373.459 6.378 0 1 FKAF CC(C)=CCC/C(C)=C\CC/C(C)=C\COc1ccc(CCC(=O)O)cc1 144641490 GWEOLLCXJGXWOD-MXAGCANZSA-N 370.533 6.502 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(O)c3)c3c(n2)-c2ccccc2OC3)cc1 473120714 PGFVQHMHXXRNLM-UHFFFAOYSA-N 367.404 5.386 0 1 FKAF COc1cccc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)c1 586993280 XJCXABOBYLWCCT-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(cnc4ccccc43)[nH]2)cc1 587246655 DUHDCONYNOHQQP-UHFFFAOYSA-N 364.408 5.030 0 1 FKAF Cc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587354143 NAGCMQDODZPHDX-GMAHTHKFSA-N 362.400 5.114 0 1 FKAF CC1(C)CC(C)(C)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354886 OXHNALBCUGIMNV-XXBNENTESA-N 368.448 5.475 0 1 FKAF CCC[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355840 WTLRXHFFRHEMNH-VZPUWSDOSA-N 368.448 5.619 0 1 FKAF COc1cccc(-c2cc(/C=C(\C)NC3CC3)nc3c2oc2ccccc23)c1 587364046 ZNILSUHIVSZLPE-NTCAYCPXSA-N 370.452 5.769 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H](C(C)(C)C)CC(C)C[C@H]1C(C)(C)C 587404010 CBNXZRSOKPGUAB-ZHALMGHNSA-N 371.565 6.036 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)Cc1ccc(CC)cc1)CC2=O 587490628 SFLDNHAWIKGCFW-JOCHJYFZSA-N 366.501 5.510 0 1 FKAF CCc1ccccc1-n1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587514017 DRFRJGCHMHHSOO-DEOSSOPVSA-N 371.480 5.625 0 1 FKAF Cc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)CC(=O)c2ccc3c(c2O1)CCCC3 587525706 PBNJZWRVNPKOMX-VWLOTQADSA-N 371.480 5.248 0 1 FKAF CCCOc1cccc(Cc2nc3cc(C)c(Br)cc3[nH]2)c1 587570789 YPRBNQSYLYZPFR-UHFFFAOYSA-N 359.267 5.013 0 1 FKAF COc1cccc(OCc2ccc(-c3nc4cc(F)c(C)cc4[nH]3)cc2)c1 587780678 FZUURWOTAPBKSN-UHFFFAOYSA-N 362.404 5.265 0 1 FKAF CC(C)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807452 CMSCGEWFCKRELR-KPZWWZAWSA-N 356.323 5.410 0 1 FKAF CC(C)=CC1(C=C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587813170 BSTUBDFPPWQKBJ-CYBMUJFWSA-N 352.291 5.250 0 1 FKAF C/C(=C\c1ccccc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587816366 XDWMCUXTHPSJKC-BXSZHPQUSA-N 374.297 5.441 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C23CCC(CC2)CC3)N1 587816413 XXEOFBAIXWTYMX-TWAPGBOVSA-N 366.318 5.308 0 1 FKAF Brc1ccc2c(c1)[C@@]1(CC3C[C@H]4CC1C[C@@H](C3)C4)NC1(CC1)C2 961614869 MPDOKWDTLTWVRW-KJUAHKGASA-N 372.350 5.169 0 1 FKAF Cc1cc(C)cc([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962713241 QPEYZOSEPMNCNH-AVRDEDQJSA-N 355.522 5.070 0 1 FKAF COc1ccccc1C(=O)c1scnc1-c1cccc(C(F)(F)F)c1 1857655386 JDLWUTXSCJNWHG-UHFFFAOYSA-N 363.360 5.069 0 1 FKAF O=C(c1ccccc1Cl)c1scnc1-c1cccc(C(F)(F)F)c1 1857655490 JLBKFSKRHMTYCO-UHFFFAOYSA-N 367.779 5.713 0 1 FKAF CC(=O)OCC(C)=CCC[C@]1(C)[C@H](C(=O)O)CC2=CCCC(C)(C)[C@@]21C 2356635870 MZJHIEFGBFMJBU-VLCRHTCISA-N 362.510 5.140 0 1 FKAF CCCN1CC[C@@H]2c3c([nH]c4ccc(OC)cc34)[C@@H](CC)[C@@H]3CCC[C@H]1[C@@H]23 211061081 NOYREEPTSJXISO-FHHGAAIESA-N 366.549 5.668 0 3 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)NCCF 13797956 ZNDRUZOGIIWDGZ-DOFZRALJSA-N 364.549 6.011 0 1 FKAF Cc1ccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CC3CCOCC3)c2c1 14975759 ACYBOEVFMUHYEK-UHFFFAOYSA-N 353.506 5.241 0 1 FKAF CCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccc(Cl)cc2)O1 49070729 FPGNAQGJVPLCGL-ZCNNSNEGSA-N 362.922 5.201 0 1 FKAF COCCn1cc(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 72118322 CNLLGAKPEJMWKB-UHFFFAOYSA-N 355.437 5.186 0 1 FKAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)C1CCC1 72175958 AHQUYLCMIRTGRZ-FQEVSTJZSA-N 354.881 5.174 0 1 FKAF Cc1ccc(N2C(=O)CS[C@@H]2c2sc(-c3ccccc3)nc2C)cc1 95561657 OZSCHLBIRJJWRG-HXUWFJFHSA-N 366.511 5.206 0 1 FKAF CC1(C)CC2=Nc3ccc4ccccc4c3[C@H](c3ccccn3)C2=C(O)C1 103921803 VGEILRJAOMUAMO-QHCPKHFHSA-N 354.453 6.085 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 586883186 HWZAQICYMQIWEI-UHFFFAOYSA-N 366.489 6.843 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2cc(F)cc(Br)c2[nH]1 586884601 UZMJEXAVRSRXHV-UHFFFAOYSA-N 355.210 5.593 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)cs2)o1 587016802 NYAHXORUWIPEAM-UHFFFAOYSA-N 351.765 5.186 0 1 FKAF Cc1cc(F)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 587042370 STYQOHGLNKIIEW-UHFFFAOYSA-N 360.479 5.068 0 1 FKAF COc1cc(/C=C\c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCC(C)C 587046911 PDKAOPAGJRYFMF-VURMDHGXSA-N 370.880 5.739 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587065939 FVCQNQZXNFTSMZ-MRVPVSSYSA-N 357.187 5.596 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(C(C)(C)C)nc2[nH]1 587066908 UJZQLXBTYVKHJT-UHFFFAOYSA-N 357.885 5.229 0 1 FKAF FC(F)(F)c1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Cl 587081503 XYMUVBWSSPQOPA-AWEZNQCLSA-N 373.161 5.565 0 1 FKAF CC[C@H](C)[C@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100371 ICBWRHHNFOIZST-GOEBONIOSA-N 355.481 6.221 0 1 FKAF CC(C)(C)c1cccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587111869 IKHLNGCRKGTPHU-UHFFFAOYSA-N 369.390 6.094 0 1 FKAF Fc1ccc(/C=C(/c2nc3cc(F)cc(F)c3[nH]2)c2cccs2)cc1 587163903 NLKXSEKXUOTWKU-RIYZIHGNSA-N 356.372 5.631 0 1 FKAF Cc1cc(C)c(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587207324 ROCIRKSUOBPXMD-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF CCC[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587383443 XCILPIZQKQFGKG-LJQANCHMSA-N 363.379 5.257 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1F)(C(C)C)CC2=O 587466032 JERGCJFVEJPGDN-OAQYLSRUSA-N 360.400 5.140 0 1 FKAF C[C@]1(c2c[nH]cc2-c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521434 BFGPTRCSKVQKKF-XMMPIXPASA-N 357.453 5.441 0 1 FKAF O=C1C[C@]2(CCc3cc4ccccc4cc32)Oc2c1ccc1c2CCCC1 587524774 MWFQGKQHGIRBEE-VWLOTQADSA-N 354.449 5.526 0 1 FKAF CC(C)(C)c1[nH]c2ccc(F)c(Cl)c2c1OC(=O)c1ccccc1F 587629415 PBCFJKCWYXSUJJ-UHFFFAOYSA-N 363.791 5.616 0 1 FKAF O=C(c1c(-c2cccc3ccccc23)[nH]c2cc(F)ccc12)C(F)(F)F 587633966 QYKBWCCBMKIDNY-UHFFFAOYSA-N 357.306 5.872 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@@]2(C)C3(C)C)N1 587819639 WFUHHOGLPLTXBI-CTCWLNEKSA-N 366.318 5.164 0 1 FKAF COc1ccc(C[C@H](C)c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1OC 587925250 DFKBKFUKSCLEFW-AWEZNQCLSA-N 352.478 5.224 0 1 FKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@H](SC)c1ccccc1 653728055 MDXWLYXNYPPKDZ-GOSISDBHSA-N 359.878 5.450 0 1 FKAF Oc1ccccc1-c1cc(-c2cccs2)cc(-c2ccccc2Cl)n1 653735696 WVEAWAYZSZZBKZ-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF Cc1ncc(CCCO[C@H](c2ccccc2)c2nc3ccccc3s2)[nH]1 1772655719 YMFAKAVBDZQFKA-HXUWFJFHSA-N 363.486 5.067 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 2356803860 XMOYAJSUUCZZLU-FYEMKHTGSA-N 356.506 5.365 0 1 FKAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1 2481721 VHFKWUWTTAUOBV-CQSZACIVSA-N 368.864 5.436 0 1 FKAF CP1(=O)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1Cc1ccccc1 6009870 UOESKDFATGRFHH-NHCUHLMSSA-N 354.434 5.139 0 1 FKAF CCCCc1ccc(C[C@@](C)(Oc2ccc(C(C)C)cc2)C(=O)O)cc1 13604809 JGLHLFRPQAGWMR-HSZRJFAPSA-N 354.490 5.617 0 1 FKAF CC(C)=CCN1CCn2c(=S)[nH]c3cc(Cl)cc(c32)[C@H]1CC(C)C 27877006 HFQJVFNWKBKYOG-QGZVFWFLSA-N 363.958 5.721 0 1 FKAF CC[C@H](C)c1cccc2c(C(=O)O)c(O)c(-c3ccc(Cl)cc3)nc12 35086961 RURLXZQEUHZJRR-NSHDSACASA-N 355.821 5.473 0 1 FKAF CC[C@@H](O)C(=O)C[C@@H](C)CCC/C(C)=C\C=C\[C@]1(C)CCCc2ccoc21 38933413 GHGXPVQCIKVWSW-UNZFXLCKSA-N 372.549 5.913 0 1 FKAF C[C@H]1CCC[C@@H](C)N1C[C@H](O)CSC(c1ccccc1)c1ccccc1 40506072 OCNUIQXAVRCMGG-JQVVWYNYSA-N 369.574 5.133 0 1 FKAF CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)C[C@H]1c1ccccc1 58576223 FPHRJFSIJGQNMS-FQEVSTJZSA-N 363.505 5.277 0 1 FKAF CC[C@H](O)/C(C)=C/[C@H](C)[C@H](O)/C(C)=C/C(C)=C/[C@@H](C)/C=C/c1ccccc1 64372884 YLFWWEOWHPOZJW-KSHFYQCHSA-N 368.561 5.943 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2ccccc2Oc2ccccc2)n1 72101631 WMXLYQNQVITKCT-GOSISDBHSA-N 364.489 6.192 0 1 FKAF CCCCc1ccc2nc(NC(=O)c3sccc3Cl)sc2c1 72142402 ZOUCQIJXTVYYSJ-UHFFFAOYSA-N 350.896 5.606 0 1 FKAF CCCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1ccccc1 96285662 QZIPEYHLAHKJGQ-UHFFFAOYSA-N 360.457 5.200 0 1 FKAF CCOc1cc([C@H]2Nc3ccccc3N=C3CCCC(O)=C32)ccc1O 103921522 MMBHGWAFBKOCBC-OAQYLSRUSA-N 350.418 5.026 0 1 FKAF 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 169294413 ZKTFUNZCYRUILZ-CLVJJUBKSA-N 368.609 5.072 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCNCc1ccoc1 169306345 RUJDAYLPXBMWEC-MLFLMRJSSA-N 369.593 7.515 0 1 FKAF C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc2ccccc2c1 253917909 RBOGTOKHHDCLPU-BEDYVLDCSA-N 367.492 5.752 0 1 FKAF COc1cc(/C=C/c2nc3ccc(C)c(C)c3[nH]2)ccc1Br 586977477 PLMMSEGLOCSJDN-RMKNXTFCSA-N 357.251 5.121 0 1 FKAF CCCc1c(C(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985151 AZHKOIXPFWAEPH-UHFFFAOYSA-N 357.331 5.123 0 1 FKAF Cc1c([C@H]2CCOC(C)(C)C2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990428 FGOIJIUKXKKLAQ-AWEZNQCLSA-N 373.452 5.133 0 1 FKAF Cc1cnc(Cl)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 586992127 DIWYEKIHGNTYNH-UHFFFAOYSA-N 370.839 5.778 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cccc(Cl)c1C3 587104897 YRGFQPYVVUXNLH-UHFFFAOYSA-N 353.808 5.671 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc4ccccc4c3)nc3cccc1c23 587206995 QAPMCXRQVSRYNW-UHFFFAOYSA-N 357.412 6.266 0 1 FKAF Cc1c([C@H]2CCCCN2C(=O)OC(C)(C)C)nc2cccc3c2c1CC3 587211995 KDJUJFFGDVPGDP-GOSISDBHSA-N 352.478 5.104 0 1 FKAF c1cc2c3c(cc(-c4ccc(-c5ccc6sccc6c5)o4)nc3c1)CC2 587360308 MEEURVKKWUWTMX-UHFFFAOYSA-N 353.446 6.475 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)C[C@H]3C)c1 587367820 XFFZCTJXKWMVAW-HUUCEWRRSA-N 357.453 6.342 0 1 FKAF CC[C@@H](c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587402902 IYPJJBXUCOGODS-OFVILXPXSA-N 371.480 5.632 0 1 FKAF C[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587506590 KKSBGEQVYQKVQD-HXUWFJFHSA-N 360.375 5.465 0 1 FKAF Cc1cccc(-n2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1C 587515922 PIZOPRGDZIFYHT-XMMPIXPASA-N 371.480 5.679 0 1 FKAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 587547879 VEWSQLZMBWZINR-WIYYLYMNSA-N 366.800 5.057 0 1 FKAF C[C@H]1C[C@@H](C)C[C@H]([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 587815421 MRKKIXXCJQLSSG-GFKBIBDCSA-N 368.334 5.410 0 1 FKAF C/C=C(/c1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817964 FTYQJUYEGUQBHN-SRNUCEPXSA-N 360.270 5.267 0 1 FKAF COc1ccc(C[C@H](C)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1OC 587927764 XPGSIZSXZWMIRG-JTQLQIEISA-N 365.260 5.233 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(Cl)cc4[nH]3)c2)c1 587933666 VACUBQFLJNQROM-UHFFFAOYSA-N 350.805 5.265 0 1 FKAF CC1(C)CCC[C@@]2(C)C1=C[C@H]1C(=O)[C@H](c3ccccc3Br)[C@H]12 653780471 LRNTUOJJZVFQBQ-JPUXWFAOSA-N 359.307 5.504 0 1 FKAF CC(C)c1ccc(NC(=O)c2ccc(-c3ccnn3C)c3ccoc23)cc1 61926813 WRFZNQKAASNPNK-UHFFFAOYSA-N 359.429 5.209 0 3 FKAF C=C/C=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C 13911661 ZLFZRFFZFFSSEP-LUHMSSTKSA-N 356.594 7.866 0 1 FKAF CCCCC(=O)c1ccc2c(c1)/C(=C\CCN(C)C)c1ccccc1S2 40514343 YNHJZOWZQHRGHY-ZDLGFXPLSA-N 365.542 5.908 0 1 FKAF O=C(NCCSCc1ccccc1Cl)c1c(Cl)cccc1Cl 49807998 FIHFMOYJSPCJAC-UHFFFAOYSA-N 374.720 5.310 0 1 FKAF CC1=C2C[C@]3(CN4C[C@H]4CNC4CCCCC4)CC[C@@H](C)[C@@]2(CC1)C3(C)C 85548308 WIMITFNNPJBCPT-MNOMTMIWSA-N 370.625 5.536 0 1 FKAF biogenic,in-vitro C/C(=C(\c1ccccc1)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1 90628509 YTNHWMAMOKUYFM-XLNRJJMWSA-N 363.482 5.037 0 1 FKAF CCOc1cc(-c2c(C)noc2C)cc([C@H](O)c2ccc(Cl)cc2)c1 95586480 XTVVTHPHTBWLMF-HXUWFJFHSA-N 357.837 5.092 0 1 FKAF COc1cc(OC)c2c(Nc3ccccc3)cc(-c3ccccc3)nc2c1 98083127 GTKIBDAQYUGPCT-UHFFFAOYSA-N 356.425 5.663 0 1 FKAF Cc1ccc2c(c1)c1c(n2CCCNCc2ccccc2Cl)CCCC1 103298930 FWOOPFNQFLVBOM-UHFFFAOYSA-N 366.936 5.662 0 1 FKAF C[C@@]12C[C@](C)(C=C1/C=C/c1ccc(F)cc1)C(=O)C[C@@H]2c1ccc(F)cc1 169343773 MLERNJKRLAOFMP-MFCQAPNHSA-N 364.435 6.077 0 1 FKAF C/C1=C\[C@H]2[C@@H]([C@@H](OC(=O)/C=C/c3ccccc3)C/C(C)=C/CC1)C2(C)C 169643857 JYEVPOCBZDNGDL-AGJINOLTSA-N 350.502 5.960 0 1 FKAF Cc1ccc(-c2nc3cc(F)c(Cl)cc3nc2-c2ccc(C)cc2)cc1 197616263 MDAZORDLWGCTDG-UHFFFAOYSA-N 362.835 6.373 0 1 FKAF COc1cc(/N=N/c2ccccn2)ccc1NC(=O)c1ccccc1Cl 211924191 JJRNGNCTPCWXGM-WCWDXBQESA-N 366.808 5.411 0 1 FKAF in-vitro CCCC(=O)N[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)[C@@](C)(CC[C@@H]21)C3 299856192 CIAKOMWBBNNMKJ-PZRBEPACSA-N 359.554 5.027 0 1 FKAF CSc1cccc(N=c2[nH]c(-c3ccc(Cl)cc3Cl)cs2)c1 473086356 HJIQMCLAWMEOAK-UHFFFAOYSA-N 367.326 6.004 0 1 FKAF Cc1c(Oc2cccc(F)c2)c(OC(C)C)nn1-c1ccc(C2CC2)cn1 473102936 LVHTZHCPJJJAHX-UHFFFAOYSA-N 367.424 5.172 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 586881448 LWKGMFOYIZBMML-UHFFFAOYSA-N 361.258 5.819 0 1 FKAF Oc1cccc(CCCCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 586896733 WMKNITMPOMOODQ-UHFFFAOYSA-N 368.786 5.506 0 1 FKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccccc2[nH]1 586982562 LZUKUAZUQMJQAU-OAHLLOKOSA-N 357.295 5.698 0 1 FKAF CC(C)(C)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587007723 PVCYYQQIERGWNJ-UHFFFAOYSA-N 369.266 5.166 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4nccc(Cl)c4[nH]3)c21 587031081 ODAXZIJGYWEIBD-NSHDSACASA-N 368.893 5.570 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(O)c2[nH]1 587072776 WVHNKFLVFPVCJM-GSWOYPRGSA-N 373.283 5.941 0 1 FKAF Fc1c(Br)ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 587088356 YBSHHGVKMPGVND-UHFFFAOYSA-N 364.605 5.266 0 1 FKAF C[C@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1C(F)(F)F 587096996 GCSMTYFZVMCKKE-VIFPVBQESA-N 358.285 5.752 0 1 FKAF COc1ccc(Cc2cnc3cccc4c3c2-c2ccccc2C4=O)c(C)c1 587107126 OPULMLAUWSGTMA-UHFFFAOYSA-N 365.432 5.354 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587161755 CKFYMSZLNYOTBO-OALUTQOASA-N 360.457 6.124 0 1 FKAF CC1(C)[C@@H]2C[C@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352172 LZJFIFNPGCMBNG-CBEGHYFRSA-N 366.432 5.085 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4ccccc4)cc1)[C@@H](C2)C3=O 587440520 BREROICZXUJVTR-RDPSFJRHSA-N 372.420 5.150 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C3CCC3)c1F)CC2=O 587466268 KKOXGIYNZFZBEZ-QHCPKHFHSA-N 368.448 5.632 0 1 FKAF C[C@@H]1CCc2c(F)cccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587510052 UNJDRXYMMQIUHE-FATZIPQQSA-N 350.433 5.148 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1CCCCCCC1 587602889 JSWRSGAQTNDXEU-DENIHFKCSA-N 352.430 5.083 0 1 FKAF O=C(O)c1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccccn2)cc1 587633006 VSOPCJMNMXRBNI-UHFFFAOYSA-N 366.779 5.388 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2F)N1 587726421 XHZXILDPHQLSJJ-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF CC(C)CC1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810392 CLQYGWNDRJDBNW-ZDUSSCGKSA-N 356.323 5.410 0 1 FKAF CC(C)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587815120 YPNGPSPSSPPCBO-BFUOFWGJSA-N 362.286 5.022 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C[C@H](C)CCCC(C)(C)OC)N1 962945791 GUVRXOTVVMQHKI-LZJOCLMNSA-N 356.554 5.755 0 1 FKAF Fc1ccccc1NC(=S)Nc1ccc(-c2ccccc2Cl)cn1 1857757667 HTQPKFNFJRAAQK-UHFFFAOYSA-N 357.841 5.350 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCOc1c(O)cc(O)c(C=O)c1C 2356577507 GBEALZXDMSUKNN-UHFFFAOYSA-N 372.505 6.017 0 1 FKAF CC1=C2C[C@@]3(C[N@]4C[C@@H]4CNC4CCCCC4)CC[C@@H](C)[C@@]2(CC1)C3(C)C 2356771374 WIMITFNNPJBCPT-UCJBRIBPSA-N 370.625 5.536 0 1 FKAF CCc1ccccc1NC(=O)c1cc2cc3ccc(OC)cc3nc2s1 4900171 DWYUDZSNTRZKEO-UHFFFAOYSA-N 362.454 5.273 0 1 FKAF CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(/C=C\C(=O)O)cc3)ccc21 26731440 PKXWKCWUBFDHSQ-GHXNOFRVSA-N 362.469 5.364 0 1 FKAF CCOC(=O)CCc1nc(-c2ccc(Cl)cc2)oc1-c1ccsc1 27080435 RFEYPJASSIBWJJ-UHFFFAOYSA-N 361.850 5.219 0 1 FKAF CC(C)C[C@@H]1CN2C(=NC[C@H]2C2CCCCC2)N1CC[C@@H]1C[C@H]2CC[C@@H]1C2 27201605 SGIBUXSDRUUCRC-VFMKGFAKSA-N 371.613 5.164 0 1 FKAF CC1(C)CCC(C)(C)c2cc(NC(=O)Nc3ccc(C(=O)O)cc3)ccc21 28345493 JFYYVAAMZJNCBL-UHFFFAOYSA-N 366.461 5.378 0 1 FKAF CCOC(=O)c1ccc(/C(F)=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1 28755734 RRQVIKFHAPNHIX-XHQYNNMPSA-N 356.481 6.647 0 1 FKAF CSc1nc2c(Nc3cccc(Cl)c3)c3ccccc3nc2s1 29131383 RRUOQEUXZQENJS-UHFFFAOYSA-N 357.891 5.963 0 1 FKAF CC(=O)CCCCCCCCCCCC/C=C/c1ccc2c(c1)OCO2 33816130 RSLLRVSPUBUTHT-FYWRMAATSA-N 358.522 6.699 0 1 FKAF biogenic COc1ccccc1-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1 36124550 OGYFLKVIQSYXFJ-UHFFFAOYSA-N 368.454 5.296 0 1 FKAF CCCNC1=Nc2ccccc2C(c2ccccc2)=N[C@H]1c1cccs1 40934492 UEODIONXKHRVLZ-NRFANRHFSA-N 359.498 5.370 0 1 FKAF c1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1 72123156 GMCZQCPPWUXLHS-UHFFFAOYSA-N 373.456 5.212 0 1 FKAF CCCCNC(=O)c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 84671790 GRDDWVUXLQAFIY-UHFFFAOYSA-N 359.469 5.463 0 1 FKAF CCCC[C@H](COc1ccc(C(=O)OCC)cc1)Oc1cccc(C)c1 90427251 CLJAIQBCKUSRFF-OAQYLSRUSA-N 356.462 5.188 0 1 FKAF Cc1cccc2cc([C@@H]3CC(c4sccc4Cl)=NN3)c(Cl)nc12 103213624 ADMQJUXQNKOWNT-ZDUSSCGKSA-N 362.285 5.350 0 1 FKAF Cc1nc2ccccc2cc1-c1nnc(-c2ccc(OC(F)(F)F)cc2)o1 103273594 SESORXMJZMDYMQ-UHFFFAOYSA-N 371.318 5.159 0 1 FKAF O=S(=O)(Nc1ccc(-c2ccco2)cc1)c1cc(Cl)cc(Cl)c1 103290238 OGQIHASBDUUYTP-UHFFFAOYSA-N 368.241 5.054 0 1 FKAF Cc1cc2c(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)c(F)ccc2cn1 169704855 BLFYIBROKHRKEJ-FUHWJXTLSA-N 363.436 5.140 0 1 FKAF C/C=C(/C)C(=O)O[C@H]1C/C=C(/C)CC[C@@H](C(C)C)[C@@H](OC(C)=O)/C=C\1C 238760183 BNIDKQNFOZHCRT-MDVWECCOSA-N 362.510 5.145 0 1 FKAF CCCCCN1CC[C@@]2(c3cccc(O)c3)C[C@H]1Cc1[nH]c3ccccc3c12 253701581 XPCLUWISULHCPB-CLOONOSVSA-N 374.528 5.370 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@@]21C 299872599 KGXLWYQCBAUILI-PAURHNBMSA-N 372.549 5.491 0 1 FKAF O=c1cc(/C=C/c2cccnc2)occ1Oc1cccc(Cl)c1Cl 473114381 NHWCPWRJIRMNMJ-VOTSOKGWSA-N 360.196 5.304 0 1 FKAF C[C@H](CC[C@@H]1[C@](C)(OC=O)CC[C@@H]2C(C)(C)CCC[C@@]12C)CC(=O)O 504693109 RJTQRENDRIOHRF-IJERAIBMSA-N 352.515 5.052 0 1 FKAF biogenic Cc1ccc2c3c(c4c(nc13)CCC[C@H]4C(F)(F)F)-c1ccccc1C2=O 586994718 DDZHLJJSCVVHIM-OAHLLOKOSA-N 367.370 5.737 0 1 FKAF Cc1c(-c2cccc(F)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586995997 OKFPFJHRYSVNPB-UHFFFAOYSA-N 353.396 5.869 0 1 FKAF Cc1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1C 587015555 PMUOMKBOPKRPAA-UHFFFAOYSA-N 374.296 6.277 0 1 FKAF Fc1ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c1 587050514 RFIWGZPWNNIWAS-UHFFFAOYSA-N 372.830 6.843 0 1 FKAF Oc1nccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082345 LIBPMBKWZIQKIG-UHFFFAOYSA-N 372.815 5.199 0 1 FKAF Clc1ccc2ccc(-c3nc4c(cnc5ccccc54)[nH]3)nc2c1Cl 587083244 KQKLCCFFXKFEFH-UHFFFAOYSA-N 365.223 5.633 0 1 FKAF COc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1C 587123652 FGVWQBZRYBIJAW-YVMONPNESA-N 364.392 5.662 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(F)cc(F)c4[nH]3)c2)c1 587160564 WKXOOSRUHZRZBU-UHFFFAOYSA-N 354.331 5.323 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(C)c(C)c3[nH]2)c1 587195280 FXNMQQFTWMASSH-UHFFFAOYSA-N 365.477 5.526 0 1 FKAF CC1(C)c2nc3cccc4c3c(c2[C@@H]1c1ccccc1)-c1ccccc1C4=O 587207905 OKWCFXBENOSRMJ-QHCPKHFHSA-N 361.444 5.869 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(Cl)nccc3c1)CC2=O 587461477 MTUGUCNYJLHCOH-IBGZPJMESA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)C1(C)C 587486983 YDLUECDSVVQYKG-JPYJTQIMSA-N 350.458 5.262 0 1 FKAF COc1ccc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 587525001 OKHYQZHTMVTKRE-RUZDIDTESA-N 372.464 5.608 0 1 FKAF Cc1cccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527121 YJILGOOBGOKFKQ-SANMLTNESA-N 368.476 5.783 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C2CCC2)cc1 587603817 RUDOYFYSFLWMAA-ZJSXRUAMSA-N 372.420 5.363 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc(Cl)cc(C)c4[nH]3)ccc2c1 587935423 KRKYROCXOJCPAV-CYBMUJFWSA-N 350.849 5.838 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc(Cl)cc(Cl)c4[nH]3)ccc2c1 587936052 QGKDJIHBGWALNA-LLVKDONJSA-N 371.267 6.183 0 1 FKAF COc1ccc2c(c1)[C@](C)(c1ccc(-c3ccc(F)cc3)cc1)N[C@@H]1CC[C@H]21 962994431 KMQODTKHBQYIOO-GPXOXTDOSA-N 373.471 5.614 0 1 FKAF Cc1ccccc1-c1cc(Cl)c(Nc2ccccc2C(=O)O)c(Cl)c1 1857597272 FMZGTOHBZKZPPX-UHFFFAOYSA-N 372.251 6.411 0 1 FKAF Cc1nc([C@@H]2CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)cs1 13597319 NIYPNKHDGWDAOX-QRIFJYOESA-N 369.574 6.067 0 3 FKAF CCCC1(CCC)CCC2(CCN(CCCCCCCN(C)C)C2)CC1 26747421 WFCILYLTSAOKCH-UHFFFAOYSA-N 364.662 6.351 0 1 FKAF C[C@H]1[C@@H]2Cc3ccc(Br)cc3[C@@]1(C)CCN2Cc1ccccc1 26752330 RFIKUGPYXNCFAU-JHVJFLLYSA-N 370.334 5.174 0 1 FKAF CC(C(=O)Oc1ccc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F 68573164 VZULDXLFIHQWFL-UHFFFAOYSA-N 355.061 5.030 0 1 FKAF biogenic CCCCOc1ccc(-c2nc(CN[C@H]3C[C@@H](C)CC(C)(C)C3)co2)cc1 72181933 SELQFKLKFUYJGF-MJGOQNOKSA-N 370.537 5.825 0 1 FKAF Cc1c(C)n(C[C@@H](O)CSc2ccc3ccccc3c2)c2ccccc12 84688781 RBHHWWYJQITZNT-HXUWFJFHSA-N 361.510 5.565 0 1 FKAF CCCc1cc(C(CCC)(CCC)c2ccc(O)c(CCC)c2)ccc1O 96923029 XNMYHZHASZTRBR-UHFFFAOYSA-N 368.561 6.889 0 1 FKAF CN1[C@@H]2CC[C@@H]1CC(Oc1cccc(C(F)(F)F)c1)(c1ccccc1)C2 101105300 HVXACPWJXGWCGY-QZTJIDSGSA-N 361.407 5.236 0 1 FKAF CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1cccs1 103232736 VCGXVFYPEZBJLF-HXUWFJFHSA-N 350.439 5.263 0 1 FKAF CCCc1ncc(Cc2cc3ccccc3cn2)c2cc(OC)c(OC)cc12 145132155 GCPGODUXJJPSTK-UHFFFAOYSA-N 372.468 5.344 0 1 FKAF C[C@@]12C=C(/C=C/C=C\c3ccco3)[C@@](C)(C1)[C@@H](/C=C/c1ccco1)CC2=O 195380582 UQMOFGNDJAVHLT-FNNFSTBFSA-N 360.453 6.087 0 1 FKAF CC(=O)OCC[C@@H](C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C 238782157 GOELMEMIXUGWKT-VNLOEDFGSA-N 350.543 5.126 0 1 FKAF O=C(c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2c1)N1CCCC1 299863605 LFJQZZXOCQSSSQ-UHFFFAOYSA-N 359.513 5.544 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1 586882033 RNBNNUUCNYGDPE-UHFFFAOYSA-N 361.258 5.819 0 1 FKAF Fc1c(Cl)cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1F 587023993 UJXDCFPOJYJPBR-UHFFFAOYSA-N 353.806 5.347 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(-c3cc(Cl)nc4ccccc34)nc2c1 587085595 VXTPKJRKBDGYTC-UHFFFAOYSA-N 365.717 5.589 0 1 FKAF Cc1cc(Br)cc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587098653 RIBRISHAHJMRKP-UHFFFAOYSA-N 369.184 5.243 0 1 FKAF Cc1ccc2c3c(cc([C@@H]4C[C@H]4c4ccccc4)nc13)-c1ccccc1C2=O 587099742 UWQXYGFICPXRSF-LEWJYISDSA-N 361.444 6.026 0 1 FKAF CCCCC(CCCC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099848 VRCMLVIRKIYHRF-UHFFFAOYSA-N 371.524 7.219 0 1 FKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(Cl)cc2[nH]1 587192041 QWCJUHZJVUVBFS-KRWDZBQOSA-N 371.868 5.173 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CC[C@@H](C3)N2)c1 587362783 KCFRZIKOIQNWLB-KBXCAEBGSA-N 356.425 5.006 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(C)ccc1C)O2 587405947 OLHLQSUIKHCXFU-DEOSSOPVSA-N 357.453 5.103 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)-c1ccccc1C3)O2 587406835 WALUYGJSDMKOGF-XMMPIXPASA-N 355.437 5.029 0 1 FKAF O=C1C[C@](c2ccccc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587509324 RFZPDOJCDLZRRH-VWLOTQADSA-N 372.439 5.614 0 1 FKAF Cc1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587511460 GTZCJLPYRJGANQ-DEOSSOPVSA-N 371.480 5.679 0 1 FKAF CCN1c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2C[C@H]1C 587517252 JZZBHKUQPAASPO-CMJOXMDJSA-N 361.485 5.043 0 1 FKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1ccc(O)cc12 587529372 ARMUFXQSTWJKJU-VWLOTQADSA-N 368.432 5.160 0 1 FKAF O=C1C[C@@H](c2ccc([C@H]3CCCO3)s2)Oc2c1ccc1c2CCCC1 587532278 PGGKPPNGCMXMBS-MSOLQXFVSA-N 354.471 5.185 0 1 FKAF CCC1(C)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603590 NYUHQEJEDMRVLU-OSFYOIPJSA-N 352.430 5.083 0 1 FKAF CCC[C@@H]1CC(C)=C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587818967 TWOQRMZOBMAFEW-PJIJBLCYSA-N 366.318 5.474 0 1 FKAF Cc1ccc2oc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587833742 OUINNHRXNWWWFG-JEOXALJRSA-N 374.253 5.266 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Oc2ccccc2)cc1 587871341 FUQUQKYZKPPFPB-UHFFFAOYSA-N 374.415 5.869 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 587931479 JFIHFEHKUYKMEY-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF Cc1ccoc1CNc1nc(Oc2cccc(Cl)c2)nc2ccccc12 653766967 QDFQWERMNPDZQO-UHFFFAOYSA-N 365.820 5.589 0 1 FKAF C[C@@]1(c2ccc(-n3cccc3)cc2)NCCc2cccc(-c3ccccc3)c21 962663579 GQNZIZLMKODLBO-SANMLTNESA-N 364.492 5.554 0 1 FKAF Fc1ccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1Cl 962712271 QUIFQMBVEMLDQE-ORAYPTAESA-N 365.876 5.071 0 1 FKAF Oc1ccccc1-c1cc(-c2cccc(F)c2)nc2c1Cc1cccc(O)c1-2 1857604995 CBYDWLHNNRGSKG-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CC(C)=C[C@H]1C[C@@](C)(C=Cc2ccc3cc[nH]c3c2)c2cc3[nH]ccc3cc21 2356341409 NYGKKNQYURXQIA-HFZDXXHNSA-N 366.508 7.074 0 1 FKAF CSCCCCCCCC[C@@H](O)CCCCCCCSC(=N)O 2356780631 FSXYCDWKNLVVKW-QGZVFWFLSA-N 363.633 6.008 0 1 FKAF Clc1ccccc1[C@@H](Cn1ccnc1)OCc1nc2ccccc2s1 2382251626 OSDHSVXCXYPTBC-QGZVFWFLSA-N 369.877 5.104 0 1 FKAF COc1cc(-c2ccc3oc(-c4ccsc4)cc3c2)cc(OC)c1OC 12476900 QHQZCNZLKMMYTJ-UHFFFAOYSA-N 366.438 5.854 0 3 FKAF CCCCc1cccc(C[C@](C)(Oc2ccc(C(C)C)cc2)C(=O)O)c1 13604807 FWOZSBATMSQYCQ-QHCPKHFHSA-N 354.490 5.617 0 1 FKAF CCCN(CCC)CCCOc1ccc(-c2cn3cccc(C)c3n2)cc1 13819564 QNTPSDODUXWHRR-UHFFFAOYSA-N 365.521 5.201 0 1 FKAF CSc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(C)s1 95584129 ZXFRDVZWMKMXCB-IBGZPJMESA-N 366.511 5.550 0 1 FKAF CC(C)c1cc(NC(=O)Nc2cccc(Cl)c2)n(Cc2ccccc2)n1 96273832 XBTVLQYSJOIOPT-UHFFFAOYSA-N 368.868 5.352 0 1 FKAF Oc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1-c1ccc(Cl)cc1 100033055 AGBMYPAMVNVKQZ-UHFFFAOYSA-N 365.795 5.099 0 1 FKAF CCOc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc3ccccc3n21 103539392 GQFDTRJBMIHILA-OAQYLSRUSA-N 359.429 5.107 0 1 FKAF Cc1nc(Cl)c(-c2c(F)cc(F)cc2F)n1-c1ccc(Cl)cc1 115169694 SQEKWCQQAWUCHP-UHFFFAOYSA-N 357.162 5.572 0 1 FKAF O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1cccc(Cl)c1 169702021 ATHCWKUWRUPNLF-OAQYLSRUSA-N 360.844 5.332 0 1 FKAF Cc1cc(Nc2nccc(C3CC3)n2)cc(-c2ccc(CCC(=O)O)cc2)c1 211115021 BPJMVCRCGQTQAI-UHFFFAOYSA-N 373.456 5.090 0 1 FKAF CN[C@H]1CC=C2C=C3CC[C@]4(C)[C@@H]([C@H](C)N)CC[C@@]4(C)[C@H]3CC[C@H]2C1(C)C 238776943 IECOUAMPFIEPAJ-MFSZFRTCSA-N 370.625 5.447 0 1 FKAF Clc1cccc(-c2nc3ccc(Nc4ncnc5ccccc45)cc3[nH]2)c1 299832956 UTFVBKLQQKGESB-UHFFFAOYSA-N 371.831 5.570 0 1 FKAF CN(C)CCCN1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 299849108 QPYNETAIAKXHTF-OTONNDQPSA-N 373.544 5.235 0 1 FKAF Fc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586976048 SLNITOXXKGHWSS-UHFFFAOYSA-N 360.013 5.438 0 1 FKAF O=C1c2ccccc2-c2cc(/C=C/c3ccccc3F)nc3ccc(O)c1c23 586988602 NTTUQAYVIKPAMG-MDZDMXLPSA-N 367.379 5.461 0 1 FKAF FC(F)(F)c1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cn1 587051639 ZWKWBKUMMBWPMU-UHFFFAOYSA-N 362.742 5.088 0 1 FKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4ncnc(Cl)c4[nH]3)o2)c1 587051714 UIJCRZPTLWPGIV-UHFFFAOYSA-N 365.607 5.240 0 1 FKAF CSc1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587077089 PKYKYMBXKVQIBA-SFHVURJKSA-N 357.910 5.275 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1cc(O)ccc1CC4)-c1ccccc1C2=O 587101831 QMNGEBSZOITSBE-UHFFFAOYSA-N 363.416 5.226 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)cc3O)nc3cccc1c23 587103128 DFVPDCKXSRFNDP-UHFFFAOYSA-N 357.796 5.472 0 1 FKAF Cc1c(Br)ccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c12 587150176 KXKQGBJTGHVNQB-VIFPVBQESA-N 367.193 5.052 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4ccnc(Cl)c4[nH]3)c2)c1 587160511 UMALXULRNBZMKC-UHFFFAOYSA-N 353.784 5.093 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587164298 POQZNXUPYRFHQI-UHFFFAOYSA-N 366.314 5.654 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc4ccccc4s3)nc3cccc1c23 587208062 KWIQODYGHWGGHD-UHFFFAOYSA-N 363.441 6.328 0 1 FKAF COCCCc1c(-c2ccc(C(F)(F)F)cc2)nc2cccc3c2c1CC3 587210933 ZOFHIVXVWVJDCC-UHFFFAOYSA-N 371.402 5.598 0 1 FKAF CCCCc1c(C2=Cc3cc(OC)ccc3OC2)nc2cccc3c2c1CC3 587215783 NEMIJUKOHZYTRJ-UHFFFAOYSA-N 371.480 5.618 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1cc3ccccc3o1)(C(C)C)CC2=O 587483093 RADROGOBUZAQKZ-QHCPKHFHSA-N 364.441 5.608 0 1 FKAF CC/C=C/CCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587818842 KFMLMEDTZOSOLG-UXGDDLMTSA-N 354.307 5.690 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587824892 ATAKSFXTICDOLC-QUHUKJRKSA-N 368.334 5.410 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1C1(CCC(N)=S)CCCCC1 963232342 RLGNYHITTUPUIZ-UTKZUKDTSA-N 358.595 5.401 0 1 FKAF Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccc(Cl)cc2)cnc1N 1857545372 DLQSISHAZYIVBP-UHFFFAOYSA-N 372.255 5.198 0 1 FKAF CC(=O)c1c(O)cc(OCC=C(C)CCC=C(C)C)c(CC=C(C)C)c1O 2356700369 JSQYIIZKWGVQLC-UHFFFAOYSA-N 372.505 5.881 0 1 FKAF CC(=O)c1ccc(O[C@]2(C)CCN(Cc3csc4ccccc34)C2)cc1 61929156 ADFAZDYJGVMZSA-JOCHJYFZSA-N 365.498 5.147 0 3 FKAF Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc(C(C)(C)C)cc1 773573 TYHBNPSYHZFBCA-UHFFFAOYSA-N 366.436 5.017 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CCCC)C[C@H]21 27630229 SNJBVPORAMXGQE-VQTJNVASSA-N 356.550 6.906 0 1 FKAF Cc1nc(Cl)c(-c2ccc(OC(F)(F)F)cc2)c(NC2CCCC2)n1 28824780 BLENNKIQJCFVIF-UHFFFAOYSA-N 371.790 5.359 0 1 FKAF COc1c(Cl)cccc1NC(=O)Nc1ccc(Oc2ccncc2)cc1 40405129 HLIMAMBUTUIINF-UHFFFAOYSA-N 369.808 5.180 0 1 FKAF Cc1ccccc1-c1cccc(NCc2cncn2Cc2ccccc2)c1 40420599 FANZRBVVGZLNDF-UHFFFAOYSA-N 353.469 5.519 0 1 FKAF CCCCCCSc1cc(Cl)c(C(=O)CCN2C[C@@H]2C)cc1Cl 42920316 BOTHSWILLQNCAB-JRTLGTJJSA-N 374.377 5.943 0 1 FKAF Fc1ccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 43014490 JPSBZCJNTBFZCB-UHFFFAOYSA-N 356.615 5.339 0 1 FKAF Cc1ccc(SC2(CC(=O)C(F)(F)F)C3CC4CC(C3)CC2C4)cc1 68572685 AOSOASGWJDGDJT-UHFFFAOYSA-N 368.464 5.804 0 1 FKAF biogenic COc1ccc([C@H](c2ccc(F)cc2)c2c(O)ccc3ccccc23)cc1 103173158 VSBNFIPZVRTYHO-QHCPKHFHSA-N 358.412 5.873 0 1 FKAF Cc1cccc([C@H](C[C@@H](N=O)c2ccncc2)c2ccc(N(C)C)cc2)c1 169730241 JLEQHPJQHNOEBF-DHIUTWEWSA-N 359.473 5.486 0 1 FKAF Cc1ccc2c(c1)N=Cc1ccccc1C=Nc1cc(C)ccc1OCCO2 254101113 FOTZKQHJDWCLEY-UHFFFAOYSA-N 370.452 5.576 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(Cl)cc3[nH]2)c1 586879044 OHPGGVZIAYIPIW-UHFFFAOYSA-N 360.844 5.731 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)CC1 586880659 OVVLMEIEUQMETL-SHTZXODSSA-N 368.912 6.137 0 1 FKAF CCC(C)(C)[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586989532 ARERHYWZMPVVJS-CQSZACIVSA-N 371.480 5.693 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1cc(Cl)ccc1C4)-c1ccccc1C2=O 586991910 BKMYCAMYQTUGDZ-UHFFFAOYSA-N 367.835 5.979 0 1 FKAF C[C@@H](Cc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992486 XBUQZTICUNLCBZ-HNNXBMFYSA-N 365.432 5.498 0 1 FKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2ccc3ncccc3c2[nH]1 587047735 BHCWORIEHVKDRK-NWDGAFQWSA-N 354.240 5.689 0 1 FKAF Clc1ccccc1OCc1ccc(-c2nc3cc4ccccc4cc3[nH]2)o1 587064262 HBGSSMNMJPXQBE-UHFFFAOYSA-N 374.827 6.209 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(C(C)(C)C)cc2[nH]1 587074201 SKBWLNCEFJHBPN-UHFFFAOYSA-N 374.915 7.156 0 1 FKAF Fc1cc2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2cc1C(F)(F)F 587085013 MIWMGDXIPUXLJM-UHFFFAOYSA-N 365.717 5.589 0 1 FKAF Clc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)nc1Cl 587085020 WNUBTSSFEXBESW-UHFFFAOYSA-N 372.280 6.083 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)Cc1ccc(F)cc1C3 587105031 ZNIVPWQLLPETQF-UHFFFAOYSA-N 351.380 5.080 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2ccc(Br)c(F)c2[nH]1 587156780 YVHUBOPKYRJPGQ-LBPRGKRZSA-N 367.193 5.134 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587160885 HSHJZRWCCFVJEK-QWHCGFSZSA-N 352.356 5.585 0 1 FKAF CSc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208529 BIUVZUQSHCPEKL-UHFFFAOYSA-N 353.446 5.835 0 1 FKAF COC(=O)c1ccccc1-c1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587213716 KLTPPWUPRVOUBM-UHFFFAOYSA-N 365.432 5.454 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cccc(Cl)c1F)CC2=O 587465381 CVQQKCICXNNIKH-HXUWFJFHSA-N 362.828 5.408 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c(C)cc(C)cc31)CC2=O 587478439 GERFMSXGEMKDIK-QHCPKHFHSA-N 350.458 5.159 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)Sc1ccc(C)cc1)CC2=O 587493535 RSJNVDQJGCMFSB-HXUWFJFHSA-N 370.514 5.558 0 1 FKAF CCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602627 KLXYFTSTGWFFSQ-ZJSXRUAMSA-N 374.436 5.440 0 1 FKAF Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587603866 RXJNBDUOYMEPDG-OFNKIYASSA-N 360.409 5.020 0 1 FKAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)F)cc1C 587629691 XORANRUBWWVUBZ-UHFFFAOYSA-N 351.755 5.692 0 1 FKAF CC(C)=C1CC[C@H](C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587819241 UNWPOCBLRPALAR-QUJCMNEKSA-N 366.318 5.474 0 1 FKAF Cc1cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587820786 RBJYCDRHUBLLEF-DJJJIMSYSA-N 362.286 5.137 0 1 FKAF CCOC(=O)c1cc2c(nc1-c1ccccc1)-c1cc(C)c(C)cc1CCC2 653768357 KPHPAONYDDVZMX-UHFFFAOYSA-N 371.480 5.698 0 1 FKAF CCCCC/C=C\[C@H](C)/C=C\C/C=C/C/C=C\CCCC(=O)NC1CCC1 1911591122 QXWVFTRKMJOUAI-LLFRASOTSA-N 371.609 7.047 0 1 FKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)C[C@]4(C)[C@@H]3CC[C@@]12C 2356476032 YPDLLJYJSWXQMO-NEMSKBEZSA-N 372.637 7.287 0 1 FKAF CN1Cc2ccccc2[C@H](c2ccc(Cl)cc2)N=C1CCc1ccccc1 1534099 RXSABPFLFWYWBP-DEOSSOPVSA-N 374.915 5.906 0 1 FKAF CCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1)N2 13140034 NSMKWGGRWAFJDI-ZVGWPWKESA-N 360.501 5.123 0 1 FKAF c1ccc(SN2CCC3(CC2)O[C@H](c2ccccc2)c2ccccc23)cc1 27732829 YPVMIBYQDWLJTO-HSZRJFAPSA-N 373.521 5.805 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CSC1 33827335 DCQGVPCGLNZXKV-GJZGRUSLSA-N 360.563 6.384 0 1 FKAF COc1ccc([C@@H](Sc2nc3ccccc3s2)c2cccnc2)cc1 43064975 BWXCRJRBGSICNQ-LJQANCHMSA-N 364.495 5.582 0 1 FKAF CSc1ccc(-c2cc([C@H](C)C(=O)O)ccc2C[C@@H]2CCCC2=O)cc1 72104565 DTRGKAXVIJTRPB-KSSFIOAISA-N 368.498 5.175 0 1 FKAF Clc1ccc(CO[C@@]2(c3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1Cl 101300590 RVSLPYXAWKWRCQ-XEMDLRDOSA-N 362.300 5.320 0 1 FKAF COc1ccc(C(=O)O)cc1NC/C=C(\C)CC/C=C(\C)CCC=C(C)C 103299726 AQEULCSAZBIZQR-VBYAGUOWSA-N 371.521 6.225 0 1 FKAF CCCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1cccnc1 103921822 WDVYXUJYWGUHCM-QFIPXVFZSA-N 361.445 5.038 0 1 FKAF CCCCNC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccsc12 169336925 LBTTUVARXMWXMA-QGZVFWFLSA-N 367.436 5.496 0 1 FKAF CCCCCCSC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169343154 YHSIOGBAMKKEDO-GCPXDWJLSA-N 354.556 5.295 0 1 FKAF CC1=CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@@H](OC(=O)/C=C\c3ccccc3)[C@@H]12 238787588 PJJFRVBMYOIECO-WDJVAMNUSA-N 368.517 5.011 0 1 FKAF CCCC1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCC1 586877647 IVAFFAAXZROWEU-UHFFFAOYSA-N 361.205 5.566 0 1 FKAF Cc1c(Br)ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586885735 NRSNPMQJCBDBKP-KUHUBIRLSA-N 353.263 5.005 0 1 FKAF CC(C)c1cc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(O)c(C(C)C)c1 586896417 LEFAYICEIHBYJG-UHFFFAOYSA-N 350.506 6.480 0 1 FKAF CC(C)c1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(O)c(C(C)C)c1 586897085 XAUKLDXJSSOWPT-UHFFFAOYSA-N 363.288 6.489 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586962569 GLMCHMBXXZIKBH-CQSZACIVSA-N 374.513 5.389 0 1 FKAF CC(C)(C)c1cccc2nc(-c3cc(Br)ccc3Cl)[nH]c12 586980397 RBPNWYREMTXYRE-UHFFFAOYSA-N 363.686 5.943 0 1 FKAF Cc1nc2ccccc2nc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105545 CYRFACKSMNBNLG-UHFFFAOYSA-N 373.415 5.365 0 1 FKAF COc1c(F)ccc(F)c1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587133302 SCXCTXADKMNHNC-UHFFFAOYSA-N 362.685 5.189 0 1 FKAF COc1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2cc1C 587158923 SQMBGEAMWMJTGB-UHFFFAOYSA-N 360.388 5.166 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1ccoc1)CCC3 587205648 AVMFSMIIOZQMIE-OAHLLOKOSA-N 351.405 5.507 0 1 FKAF CC(C)(C)OC(=O)Nc1ccc2c(c1)Cc1c-2nc2cccc3c2c1CC3 587213959 UBSSJICIKHBYNZ-UHFFFAOYSA-N 358.441 5.252 0 1 FKAF Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587348691 AMTHDMHLPWIXOM-JTHBVZDNSA-N 362.400 5.114 0 1 FKAF Cc1ccc(Sc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 587409614 ITFCZGGKXVUHAH-LJQANCHMSA-N 365.454 5.336 0 1 FKAF CCc1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 587455278 LKOSSWJNNRXZLD-UZUQRXQVSA-N 360.409 5.006 0 1 FKAF CCCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587526679 ZDPOBXQVXZAIAK-JOCHJYFZSA-N 366.457 5.156 0 1 FKAF CCc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587531940 JCIVNEAEWLVBIL-DEOSSOPVSA-N 372.464 6.094 0 1 FKAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)s1 587630298 YGTDFSTURQELTK-UHFFFAOYSA-N 361.747 5.742 0 1 FKAF CC(C)[C@@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587848308 NOEUYHGIRWZTNI-PIGZYNQJSA-N 368.315 5.084 0 1 FKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587928983 FOIIDXZAZDAGJK-UGSOOPFHSA-N 364.342 5.175 0 1 FKAF Cc1cccc(CC[C@]2(C)NC3(CC3)Cc3ccc(Br)cc32)c1 961610227 AZBSLUJRPHVAIW-FQEVSTJZSA-N 370.334 5.284 0 1 FKAF CC(=CC=C[C@H](C)CCC=C(C)C[C@H](O)C(=O)O)CCCc1ccoc1 2356313138 SVMYQJZZVIQHRV-UWJYYQICSA-N 360.494 5.303 0 1 FKAF CC(C)=CCc1cccc2c([C@@H](C=C(C)C)C3=C=C=C=C[C@@H](N)C=C3)c[nH]c12 2356651872 GNLIWLAZNLNPEH-VWNXMTODSA-N 368.524 6.015 0 1 FKAF Cn1cc(-c2nn3cc(-c4ccsc4)nc3s2)c2cc(Cl)ccc21 2382241742 HCKNJYYVGCDHKS-UHFFFAOYSA-N 370.890 5.331 0 1 FKAF c1ccc(COc2nc3cc(C45CC6CC(CC(C6)C4)C5)ccc3[nH]2)cc1 5974556 HGOSHFAUMBCDIS-UHFFFAOYSA-N 358.485 5.610 0 1 FKAF CC[C@@H](C)C(=O)O[C@H](CC=C(C)C)c1coc(-c2cc(O)ccc2O)c1 13432855 PEZOMNLHRUVLDV-AUUYWEPGSA-N 358.434 5.345 0 1 FKAF biogenic,in-vitro CC[C@@H]1C=C1C/C=C\C[C@@H](O)/C=C/C=C/C/C=C\C/C=C\CCC(=O)O 27643243 CWSPVLXISZCJGY-SAEPGXANSA-N 356.506 5.520 0 1 FKAF in-man Clc1ccc([C@@H](Cc2ccccc2Cl)Cn2ccnc2)c(Cl)c1 33493878 QGBOGLBIJPUGGH-AWEZNQCLSA-N 365.691 5.870 0 1 FKAF CC(C)C(=O)c1ccc2c(c1)/C(=C\[C@@H](C)CN(C)C)c1ccccc1S2 40511624 GKZBVRLWQPIFCM-BKAYVGFPSA-N 365.542 5.619 0 1 FKAF Clc1ccc(Oc2ccccc2Nc2nc3cc(Cl)ccc3[nH]2)cc1 40848093 KPVSTBUHSWHXOI-UHFFFAOYSA-N 370.239 6.406 0 1 FKAF Oc1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1 72170870 FKOCTCKIJBDXFV-ZZXKWVIFSA-N 363.301 6.115 0 1 FKAF CC(C)c1ccc(NC(=O)O[C@H](Cn2ccnc2)c2ccc(F)cc2)cc1 73387306 OMXCIRVMHPGVCD-HXUWFJFHSA-N 367.424 5.136 0 1 FKAF in-vitro C=C[C@@H]1CSC(C[C@H](C)[C@H](C)C[C@@H](C)CCN(C)C(=O)[C@H](C)CC)=N1 85955728 PHYRFZDJEDWWKT-BRIYLRKRSA-N 366.615 5.269 0 1 FKAF biogenic CC1=C2CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@H]1O 141070834 LWWBEZGYTBIWMC-CHBXBOMKSA-N 363.545 5.789 0 1 FKAF CC[C@@]12C=C(/C=C\c3ccccc3)[C@@](CC)(C1)[C@@H](c1ccccc1)CC2=O 169350372 NLQQTNRSVHYIMW-ZFIGZELSSA-N 356.509 6.579 0 1 FKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 586878644 ICINVIMHJQDTAO-UHFFFAOYSA-N 362.816 5.557 0 1 FKAF CCCC[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990655 NCLPQZNAUCFDQG-AWEZNQCLSA-N 357.453 5.447 0 1 FKAF CCCCc1c(C(C)(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586993703 ZEKUBLDTOQIGEN-UHFFFAOYSA-N 359.469 5.792 0 1 FKAF Cc1cc(F)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586994673 BOLRDSCPTUGTFI-UHFFFAOYSA-N 353.396 5.869 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(CSCc3ccsc3)nc2c1 587024926 COCYHQWZHUWVIX-UHFFFAOYSA-N 362.829 5.730 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587062977 YPDMTMQKHAPWNN-QGZVFWFLSA-N 370.815 5.071 0 1 FKAF Cc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1C 587148854 DGWYHXHDUXZYQU-OAQYLSRUSA-N 364.395 5.626 0 1 FKAF Cc1c(-c2ccc(Cl)c(Br)c2)nc2cccc3c2c1CC3 587208030 JYJKGRMDCGUZDO-UHFFFAOYSA-N 358.666 5.725 0 1 FKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c1 587242468 UKZDZSCQQXMQFP-UHFFFAOYSA-N 363.505 5.902 0 1 FKAF Cc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357469 ULSCEVBEPLMLHO-GMAHTHKFSA-N 362.400 5.114 0 1 FKAF COc1cccc(-c2cc(C(F)(F)Cl)nc3c2oc2ccccc23)c1 587360923 UMXVQGZMBCMBSY-UHFFFAOYSA-N 359.759 5.945 0 1 FKAF CCCOc1c(C)cc(C)cc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587478272 FOBRUFOXRPJFLV-NRFANRHFSA-N 368.473 5.457 0 1 FKAF CCCCCC[C@@]1(c2ccccc2)CC(=O)c2ccc(O)c(CCC)c2O1 587490189 SBFIROPBCPBMTO-DEOSSOPVSA-N 366.501 6.176 0 1 FKAF O=C1C[C@@](Cc2ccccc2)(c2ccncc2)Oc2c1ccc1c2CCCC1 587515493 ORLWDNLKHDJVHN-VWLOTQADSA-N 369.464 5.064 0 1 FKAF CC(C)C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599323 FFVMXEODLZVXAD-XMSQKQJNSA-N 354.446 5.185 0 1 FKAF Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587604201 VCLJUTKVRCFNJX-XUZZJYLKSA-N 374.436 5.194 0 1 FKAF CCc1[nH]c2c(C)cc(Cl)cc2c1Cc1ccc(Br)cc1 587623757 OQDSNWXMBLSUGC-UHFFFAOYSA-N 362.698 6.045 0 1 FKAF COC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(Cl)c(F)cc12 587629540 AXJFHZVSZUGIRB-UHFFFAOYSA-N 371.717 5.433 0 1 FKAF C=Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587816291 WAOXUHADPZUWMN-BLVKFPJESA-N 360.270 5.029 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)CC2)N1 587817108 IJFDEBAFTWHVCD-ZUOKHONESA-N 372.281 5.195 0 1 FKAF CC1=C[C@@]2(CC(C)(C)C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587822699 MCKSQFLUGJBQSZ-XIKOKIGWSA-N 352.291 5.084 0 1 FKAF Cc1oc2ccccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587826595 FJDLJEZBSIRKPN-APBUJDDRSA-N 374.253 5.266 0 1 FKAF O=C(O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587949673 KNALZYIHWBSOJG-QBFSEMIESA-N 356.381 5.224 0 1 FKAF c1ccc2[nH]c(-c3ccc(-c4nccc5c4[nH]c4ccccc45)cc3)nc2c1 1772598935 RAQMWBULFUWQMJ-UHFFFAOYSA-N 360.420 5.926 0 1 FKAF O=C(Nc1c2c(cc3c1CCC3)CCC2)N[C@@H](c1ccccc1)C(F)(F)F 1911586646 YTWSDVRASDWHRV-IBGZPJMESA-N 374.406 5.089 0 1 FKAF CC1=C[C@@H](OC(=O)C=Cc2ccccc2)[C@@H](C(C)C)CCC(C)=CCC1 2356689032 WFXRZGNFMQPULF-DHIUTWEWSA-N 352.518 6.350 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)CN(CC(=O)O)C=C3 2356867280 WPVQCRNUKYZBFW-CQIJRDABSA-N 357.538 5.240 0 1 FKAF CCCC[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3ccccc3)C2)[C@H]2CCCCN12 203468159 JCSGPMMCBOKFDZ-OBJCFNGXSA-N 356.510 5.057 0 3 FKAF COc1c2occc2c(OC/C=C(\C)CCC=C(C)C)c2ccc(=O)oc12 5158591 OQHQALGVQDTJDN-XNTDXEJSSA-N 368.429 5.619 0 1 FKAF endogenous,in-man CCCCc1nc2c(C)ccnc2n1Cc1cc(Cl)c(O)c(Cl)c1 26282542 RVAYPSHVUIRBCM-UHFFFAOYSA-N 364.276 5.143 0 1 FKAF Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1ccccc1 28639689 BTHXHPLJJRJPLO-UHFFFAOYSA-N 358.268 5.103 0 1 FKAF Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccs4)cc3)c12 28703856 NELISGKVPMBCFX-UHFFFAOYSA-N 366.471 5.251 0 1 FKAF O=C(c1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21 28826856 VEKGHAIWOIIXFF-UHFFFAOYSA-N 353.446 6.283 0 1 FKAF in-vivo Nc1ncc(-c2cccnc2)c2scc(-c3ccc(F)c(Cl)c3)c12 28884797 KCNVTGLNNQQIHH-UHFFFAOYSA-N 355.825 5.400 0 1 FKAF N=C(N)c1ccc2[nH]c(-c3cc(Cl)cc(NCc4ccccc4)c3)cc2c1 43120401 SKFUFXUGLMAUOW-UHFFFAOYSA-N 374.875 5.384 0 1 FKAF C[C@@H](N[C@@H]1CCC[C@@H](c2ccc(C(=O)O)cc2)C1)c1cccc2ccccc12 43205423 XHECHHFQBPQRSS-ZPMCFJSWSA-N 373.496 5.915 0 1 FKAF CCCCC[C@H](C)NCc1coc(-c2ccccc2Oc2ccccc2)n1 72101632 WMXLYQNQVITKCT-SFHVURJKSA-N 364.489 6.192 0 1 FKAF CCCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(C)[C@H](O)C3)CCC[C@@]21C 96142490 MGADROAPTBMHLU-XWERODOSSA-N 374.609 6.034 0 1 FKAF O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2C2CC2)nc1 113898710 UFZMOOJDLXYQNJ-UHFFFAOYSA-N 371.440 5.340 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(N)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 169323103 HPKXOIUOAUEOCY-BZSNNMDCSA-N 369.593 7.333 0 1 FKAF Clc1ccc(Nc2nc(NCc3ccco3)nc3ccccc23)cc1 169337356 CIHBZZFDFRODGB-UHFFFAOYSA-N 350.809 5.232 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCNC(=O)CCC 169353661 FRXFHGCFWRSQGQ-AIBIWWTJSA-N 359.598 7.048 0 1 FKAF Cc1cc(-c2nc3c(C)c(F)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880488 ZTMATZHUMJYEHP-UHFFFAOYSA-N 360.388 5.351 0 1 FKAF CCOC(=O)c1ccc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2c1 586896012 GIMNAHTZKATZAL-UHFFFAOYSA-N 366.461 5.359 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 586898364 IIPCTUGYVPFCGJ-UHFFFAOYSA-N 372.321 5.760 0 1 FKAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587057996 AWSNOUPUYUPMEM-LBPRGKRZSA-N 374.193 5.131 0 1 FKAF Clc1ccc(CN2CCC[C@H]2c2nc3cnc4ccccc4c3[nH]2)cc1 587076988 OOOOCYVRUTXJLL-IBGZPJMESA-N 362.864 5.102 0 1 FKAF Fc1cc(Br)cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 587088253 VDBRJFAGSKXLFU-UHFFFAOYSA-N 364.605 5.266 0 1 FKAF Cc1c(-c2ccc(F)c(F)c2)nc2cccc3c2c1-c1ccccc1C3=O 587104044 QDYKKQPYTIRASD-UHFFFAOYSA-N 357.359 5.700 0 1 FKAF FC(F)Oc1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 587129981 BDGYDAISHNPMBI-UHFFFAOYSA-N 366.367 5.410 0 1 FKAF Fc1ccc(/C=C\c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(F)c1 587151138 QKGYSLLQFMEDBB-XFFZJAGNSA-N 362.379 5.591 0 1 FKAF Cc1cc(Br)c2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc2c1 587151724 VCUSLEYLWCXYTN-SECBINFHSA-N 367.193 5.052 0 1 FKAF COc1cccc(-c2cc(Cc3cccnc3)nc3c2oc2ccccc23)c1 587363613 RERZCEWRZMTGCN-UHFFFAOYSA-N 366.420 5.642 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(C)C)cc1)CC2=O 587486763 ZXTYVXIOUBLCJV-NRFANRHFSA-N 354.446 5.086 0 1 FKAF Cc1sc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1C(F)(F)F 587509423 SFZJKFUFMRICRM-CQSZACIVSA-N 367.392 5.056 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2sccc2c1 587616916 HFOGBOCVFKBDFL-SIKLNZKXSA-N 374.417 5.310 0 1 FKAF CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2ccc([C@@H](C)CC)cc12 587642965 XWCAFDMWHVCFGO-ZDUSSCGKSA-N 355.865 6.179 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(Cl)c2)N1 587729644 HVMGKSYGUVJSSE-ZKANADHPSA-N 372.640 5.004 0 1 FKAF CCCCCC[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812926 LZYAOKZZRGGKHN-SCLBCKFNSA-N 356.323 5.698 0 1 FKAF CC(C)C[C@@H]1CC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587817316 JYQYEVMEJSQKBZ-LXIYXOSZSA-N 354.307 5.164 0 1 FKAF N[C@@H](N=O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587950213 QJRQIIPGNHMPLC-YLQXFRFJSA-N 370.412 5.249 0 1 FKAF CC1(C)CCC[C@]2(CO)[C@@H]1CC[C@]1(C)[C@@H]3CCc4cocc4[C@@]3(C)CC[C@@H]21 2356426921 KGLSSBJCYUTCKF-YHGKRWFNSA-N 370.577 6.115 0 1 FKAF CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC(C)=CC(=O)O 2356467787 FCZDHYMKYYBHKU-NTSGDEEZSA-N 362.510 5.140 0 1 FKAF CC(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC(C)=CC(=O)O)[C@@H]2CCC=C(C)[C@]21C 2356555515 YAIZAZKACAHJDU-DTTOWAHTSA-N 362.510 5.138 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)C3=CC[C@]21C 2356686872 WNMPECVUVQDPTP-DDHUSKHDSA-N 366.589 6.615 0 1 FKAF C[C@]1(Oc2ccc(Cl)cc2)CCN(Cc2csc3ccccc23)C1 61925812 QULHRSNYAOMCTR-FQEVSTJZSA-N 357.906 5.598 0 3 FKAF CCCN(CCC)C(=O)Cc1c(-c2cccs2)[nH]c2ccc(Cl)cc12 606188 YXKLQDGMMPUOSE-UHFFFAOYSA-N 374.937 5.741 0 1 FKAF C(=C(Oc1ccccc1)c1nc2ccccc2s1)c1ccc2c(c1)OCO2 3849565 CPUGODKJVNXCFG-UHFFFAOYSA-N 373.433 5.602 0 1 FKAF biogenic CC(C)(C)c1ccc(-c2ccnc(Nc3ccc4c(c3)OCCO4)c2)cc1 14974014 IMSVQMAZICXWQC-UHFFFAOYSA-N 360.457 5.561 0 1 FKAF CCc1cccc(N(C)C(=N)Nc2cc(CC)cc(SC)c2Cl)c1 27429673 DMIQNAAKYDOQRF-UHFFFAOYSA-N 361.942 5.670 0 1 FKAF COCc1ccccc1C(=O)c1oc2cc(-c3ccccc3)cc(O)c2c1C 27522824 ONPICSIQWAKDNT-UHFFFAOYSA-N 372.420 5.491 0 1 FKAF Cc1ccc([C@@H]2CC(=O)Oc3ccc4cc(Br)ccc4c32)cc1 29136226 CECHMAZZYNFPIR-KRWDZBQOSA-N 367.242 5.352 0 1 FKAF O=C(O)c1ccc(-c2ccc(-c3cc4cccc(Cl)c4o3)[nH]2)c(Cl)c1 29470159 CNKVGWLGMGZFOG-UHFFFAOYSA-N 372.207 6.100 0 1 FKAF CCc1ccc(-c2nc3cc(NC(=O)OCc4ccccc4)ccc3o2)cc1 34587272 WCNLRLOYNSMGAP-UHFFFAOYSA-N 372.424 5.806 0 1 FKAF O=C(CCC1CCCC1)NCCCCNc1ccnc2cc(Cl)ccc12 35190609 HOTVFUXJCLEVHQ-UHFFFAOYSA-N 373.928 5.167 0 1 FKAF Fc1ccc2[nH]cc(C3CCN(Cc4cccc5ccccc45)CC3)c2c1 36221540 IFANUTQMGTZRMI-UHFFFAOYSA-N 358.460 5.840 0 1 FKAF FC(F)(F)c1cccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)c1 40918050 AUYTYBXOQNJIFH-UHFFFAOYSA-N 364.370 6.225 0 1 FKAF Cc1ccc2c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c(C)c(C)nc2c1 53033641 LKVQAMHRWJYSED-QGZVFWFLSA-N 374.532 5.044 0 1 FKAF CCCO[C@]1(c2ccc(-c3ccccc3)cc2)CN(C)[C@@H]2CCCC[C@H]2O1 58559062 IZIGKCAJJSJZKU-WXFUMESZSA-N 365.517 5.206 0 1 FKAF CC1(C)CCC(C)(C)c2cc(C(=O)OCc3ccc(C=O)cc3)ccc21 64303484 FQBXJJWVEAMVSA-UHFFFAOYSA-N 350.458 5.205 0 1 FKAF c1ccc2c(CNCCCNCc3cccc4ccccc34)cccc2c1 84367274 XAVAQWUDFGLQPJ-UHFFFAOYSA-N 354.497 5.263 0 1 FKAF COc1ccc(NC(=O)c2cc(/C=C/[C@@H]3C(C)=CCCC3(C)C)on2)cc1 95573159 GNOPJNRLVFPHKN-TZZQJPOUSA-N 366.461 5.331 0 1 FKAF CN1CC(OCc2ccc(Cl)c(Cl)c2)(c2ccc(Cl)cc2)C1 96924132 VRWDNIRFKYVFAT-UHFFFAOYSA-N 356.680 5.004 0 1 FKAF CC(C)N1[C@H]2CC[C@H]1CC(OC1c3ccccc3C=Cc3ccccc31)C2 101977677 HMYMSZLQKFXEMI-SFTDATJTSA-N 359.513 5.680 0 1 FKAF CCOC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1 103201265 RSTCPDRTCVQCJW-UHFFFAOYSA-N 361.228 5.023 0 1 FKAF CC[C@@H](C)Sc1nc([C@H](CC)c2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352230 MSFPDVKGKWUQCA-ZYHUDNBSSA-N 368.905 5.303 0 1 FKAF CC(=O)OC[C@@H](O)[C@](C)(O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 238784220 LKUWCXZFCSWEPD-SEIRJHJZSA-N 372.590 5.101 0 1 FKAF c1ccc(Sc2ccc3nc(CCc4cc5ccccc5o4)[nH]c3c2)cc1 586909613 YWIJPGSEYXZYAG-UHFFFAOYSA-N 370.477 6.246 0 1 FKAF Cc1ccc2c(ccc3nc(Cc4ccc(Br)c(C)c4)[nH]c32)n1 586977494 PTAFPTDRUGJEQO-UHFFFAOYSA-N 366.262 5.081 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc(Cl)c4O)nc13)-c1ccccc1C2=O 586993320 KDNGEJXJQOVIFX-UHFFFAOYSA-N 371.823 5.781 0 1 FKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)n1 587081188 XDENGHIVLFYCLA-SSDOTTSWSA-N 360.742 5.209 0 1 FKAF CCOc1cc(/C=C/c2nc3cc(F)c(F)cc3[nH]2)ccc1OC(F)F 587131223 XJCXHKUHMRFJGQ-GQCTYLIASA-N 366.314 5.012 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4cc(Cl)cc(Cl)c4[nH]3)C2)c1 587131290 CHKSVAZMNLXSQT-UHFFFAOYSA-N 353.199 5.751 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1F 587150816 FLQQJUGVKXWLGV-IAGOWNOFSA-N 362.379 5.905 0 1 FKAF Cc1c(Br)cc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2c1C 587197261 NHGNTTXEWOBNEM-CYBMUJFWSA-N 372.310 5.160 0 1 FKAF C[C@@H](CCCCC(=O)O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587205935 DSQGCEMMAPUZQG-AWEZNQCLSA-N 359.425 5.195 0 1 FKAF CC[C@@]1(c2cc(F)c(OC)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507562 QZCHRDCYFWQBMA-QFIPXVFZSA-N 372.411 5.123 0 1 FKAF O=C1C[C@H](c2ccc(Oc3cccnc3)cc2)Oc2c1ccc1c2CCCC1 587516071 UMCFFUJNCJGLMA-HSZRJFAPSA-N 371.436 5.459 0 1 FKAF Cc1onc(-c2ccccc2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528340 XLLKZFBOAOUTDR-HXUWFJFHSA-N 359.425 5.235 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2C(C(C)(C)C)(C(C)(C)C)N1 587812405 QPGQBGRPRKWKEP-LLVKDONJSA-N 356.323 5.410 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C)(C)[C@H]1CC[C@]2(C)C1 587830601 VMWPALSTKQDQDB-JUPFADAESA-N 366.318 5.164 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2csc(Cl)c2)N1 587850183 YBVKXEVYUHYFMM-AYVTZFPOSA-N 374.706 5.101 0 1 FKAF Cc1c(F)ccc2c1[C@H](c1cn(Cc3ccccc3)c3ccccc13)NCC2 962375719 OZXRPOAYXOKKAE-VWLOTQADSA-N 370.471 5.372 0 1 FKAF Cc1c([C@H]2c3c(F)cccc3C[C@H]3CCCN32)[nH]c2c(Cl)cccc12 963113574 URHFVAFWMGOHAZ-SPLOXXLWSA-N 354.856 5.379 0 1 FKAF CCCCCCOc1cc(Cl)c(C(=O)CC[N@@]2C[C@@H]2C)cc1Cl 1857606400 FWEQPKVOKVCVSZ-ZSEKCTLFSA-N 358.309 5.229 0 1 FKAF COc1ccc2c(CN3CCCCC3)cn(C/C=C/c3ccccc3)c2c1 1857750438 DXBJVWJRPJEDLX-DHZHZOJOSA-N 360.501 5.349 0 1 FKAF CCCCC=C[C@H](O)CCCCCCc1cc(=O)c2ccccc2n1C 2356396209 DWNMEVXONKHWAM-FQEVSTJZSA-N 355.522 5.139 0 1 FKAF CC=C[C@@H]1OC(=O)C=C[C@@H]1OC(=O)C=CC(C)=C[C@H](C)CCCCCC 2356564794 CQTZIHSZGZYODO-HOJAQTOUSA-N 360.494 5.065 0 1 FKAF COc1c(CC=C(C)C)cc(C(=O)O)cc1CC=C(C)[C@H](O)CC=C(C)C 2356643308 ORQPUUZRMCIOGB-OAQYLSRUSA-N 372.505 5.108 0 1 FKAF CC[C@H](C)CC/C(C)=C/c1c(C)c(O)cc2c1[nH]c1c(O)ccc(CO)c12 13383299 GBCTUBMADGTMFW-LFGHMXSPSA-N 367.489 5.763 0 1 FKAF Cc1cc(C)c(C(=O)O[C@@H](CCN(C)C)c2ccc(Cl)cc2)cc1C 13684948 PRHCORHYTJWCNC-FQEVSTJZSA-N 359.897 5.115 0 1 FKAF c1csc(C2(c3cccs3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)c1 26648596 LLQIOVDBZFGPAS-SIKLNZKXSA-N 372.538 5.522 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c([C@H]2C=C(C)CC[C@H]2C(C)C)c(O)c1 28569459 OMKDBOPYXOZQHE-SFTDATJTSA-N 372.593 7.442 0 1 FKAF CCCCCn1c(C)c(C(=O)c2cccc3ccc(C)cc23)c2ccccc21 43022399 HSGMJSSWGKDWNA-UHFFFAOYSA-N 369.508 6.833 0 1 FKAF COc1ccc2[nH]cc([C@H](c3ccc(C)cc3)N(C)c3ccccc3)c2c1 71334227 KNBBFBWTFCAUNZ-DEOSSOPVSA-N 356.469 5.711 0 1 FKAF CCC[C@H](N)c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(F)c1 72118293 NTHVEZQGOINNCK-HNNXBMFYSA-N 366.267 5.330 0 1 FKAF Oc1ccc2ccccc2c1Cc1ccc(OCCN2CCCCC2)cc1 72178990 KPLWTWWLZGDLAF-UHFFFAOYSA-N 361.485 5.001 0 1 FKAF CC1(C)[C@H]2CC[C@@H](CNc3cc(Oc4cccc(Cl)c4)ncn3)[C@@H]1C2 82067401 GDUAEVNDYXEOBP-ZQIUZPCESA-N 357.885 5.407 0 1 FKAF Cc1cc(-c2ccc3oc(=O)cc(-c4ccccc4)c3c2)c(C)cc1CO 96940143 UGMBVUOLBIPHPB-UHFFFAOYSA-N 356.421 5.236 0 1 FKAF Cc1cc([C@H]2[C@@H](c3ccc(Cl)c(Cl)c3)C[C@H]3CC[C@H]2S3)on1 101388933 JHGFPQGHZNDWJN-YLGOIMDESA-N 354.302 5.825 0 1 FKAF O=C(Nc1ccc(-c2cncc3ccccc23)cc1)N1Cc2ccccc2C1 166831203 QVRNDEAQJUMQKU-UHFFFAOYSA-N 365.436 5.450 0 1 FKAF CCCCC[C@@](C)(Sc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(=O)O 167548043 YWXLRVPPDFXNCL-JOCHJYFZSA-N 364.595 6.797 0 1 FKAF Cc1ccncc1-c1cccc2c(OCc3ccc(Cl)cc3)noc12 205215372 SCOWBUGNRMASSY-UHFFFAOYSA-N 350.805 5.431 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(F)(F)C[C@@]43C)[C@@H]1CC=C2c1cccnc1 223524946 VYARRZDEVIWNIB-LUHORNHLSA-N 357.488 6.363 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@@H]3CC[C@]12C 255284955 YPUSVPPKDFWEHB-OEYPAGDGSA-N 374.653 7.079 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(CC)ccc4[nH]3)cc2)CC1 586881959 YEFUATZDJUOFPI-MXVIHJGJSA-N 360.545 7.256 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586896828 QWAYDHLAWXRHEI-UHFFFAOYSA-N 372.321 5.760 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 587043513 QYJGRVVRCXCQCT-HXUWFJFHSA-N 356.450 5.183 0 1 FKAF FC(F)(F)c1ccc(-c2nc3ccc(Cl)nc3[nH]2)c(C(F)(F)F)c1 587095031 NEGVALPXAFDBJR-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF C[C@@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccccc1C(F)(F)F 587096830 BYAIFDVDALGOOU-SSDOTTSWSA-N 360.166 5.435 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@H]3C(F)(F)F 587104580 YWGAQTHTROUSDB-CQSZACIVSA-N 353.343 5.428 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587111985 CJMHXWFEOJRVIZ-QMMMGPOBSA-N 374.740 5.860 0 1 FKAF Cc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1Cl 587144850 DHKCGSJELWIBLP-UHFFFAOYSA-N 350.824 5.922 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587170967 WFUYJHDDTZKJTQ-VIFPVBQESA-N 355.265 5.905 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2ccc3ncccc3c2[nH]1 587241017 VADHRTPOGUKBRN-UHFFFAOYSA-N 366.424 5.530 0 1 FKAF Nc1c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc2ccccc12 587254713 WCRQIQKCSVOXQQ-UHFFFAOYSA-N 359.376 5.577 0 1 FKAF COc1cccc(-c2cc([C@@H]3CC=C(C)CC3)nc3c2oc2ccccc23)c1 587366182 TZUPYVMHOZQEQD-QGZVFWFLSA-N 369.464 6.870 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(F)c4)s1)[C@@H](C2)C3=O 587426266 BVQWOZIRTAZFPG-BTYIYWSLSA-N 366.413 5.052 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccnc1-c1ccsc1)CC2=O 587498055 YIPZGRWKFNYCSB-LJQANCHMSA-N 365.454 5.175 0 1 FKAF CC(C)[C@]1(Cc2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500635 MRPWEBNVBIYDSU-QHCPKHFHSA-N 368.904 5.822 0 1 FKAF Cc1ccc(F)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587509907 YGBZOOFRMFGZGD-NRFANRHFSA-N 358.840 5.547 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(-c3cccnc3)c2c1 587642739 VECBGLNRYRYHIB-HNNXBMFYSA-N 360.888 7.064 0 1 FKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(C)cc(Br)c2[nH]1 587932252 WSAQLPXNCDSDKM-BFUOFWGJSA-N 371.278 5.088 0 1 FKAF CC[C@]1(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)CC(=O)c2ccccc2C1 587959583 HGELZHLOTCMHFF-HSZRJFAPSA-N 361.489 5.023 0 1 FKAF Cc1nc(Cl)n(-c2ccc(Cl)cc2)c1-c1c(F)ccc(Cl)c1F 1772609558 STUZZLHPKFJJTM-UHFFFAOYSA-N 373.617 6.086 0 1 FKAF CC(C)C1=CC[C@@]2(C)[C@H](C1)[C@@](C)(OC(=O)C=Cc1ccccc1)CC[C@H]2O 2356428187 AMEXRSNEDWSVJH-DVKRWUGUSA-N 368.517 5.155 0 1 FKAF CN(C)CCc1nc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cs1 2382228653 BRQUXDIYBAYIQO-UHFFFAOYSA-N 366.574 5.382 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NCC(=O)O 8689967 FRABOYHJNCTVMA-QNEBEIHSSA-N 363.542 5.557 0 1 FKAF CN1CCN([C@@H]2C[C@@H](c3ccccc3F)c3ccc(Cl)cc32)CC1(C)C 22938080 BEJFETGIBLFMPS-WIYYLYMNSA-N 372.915 5.082 0 1 FKAF CN1CCC(c2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)CC1 28468765 UVANMEJFBICJHW-UHFFFAOYSA-N 352.428 5.436 0 1 FKAF CCCNCCCCCCCCc1ccc(CCCCNCCC)s1 28652563 OXANYJYEFWEPJO-UHFFFAOYSA-N 366.659 5.953 0 1 FKAF O=c1[nH]c2ccccc2c2c(-c3ccccc3)nn(-c3cccc(Cl)c3)c12 29466802 LUCFVQZDMOUMFP-UHFFFAOYSA-N 371.827 5.187 0 1 FKAF C[C@H]1CN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)C[C@H](C)N1C 36093085 JQBCJANIMSRFBC-CTPFPFKQSA-N 372.915 5.080 0 1 FKAF CC[C@@]1(c2ccccc2)c2c(ccc(F)c2F)NC(=O)N1CC(F)(F)F 36487322 MAXRGTBWPFFQRF-QGZVFWFLSA-N 370.321 5.028 0 1 FKAF Fc1ccc(-c2[nH]cc(C3=CCN4CCC[C@@H]4C3)c2-c2ccncc2)cc1 58540887 OSLWXIZAFXKEFT-HXUWFJFHSA-N 359.448 5.134 0 1 FKAF Clc1ccccc1-c1nnc2c(Cc3ccccc3)nc3ccccc3n12 64540352 OPZSDYBOKMUIHZ-UHFFFAOYSA-N 370.843 5.189 0 1 FKAF C[n+]1cccc(N(CCCCCC2CCCCC2)c2cccc(Cl)c2)c1 66157145 GAVNWFQPAUDCBX-UHFFFAOYSA-N 371.976 6.443 0 1 FKAF CC1(C)CC(/C=C\c2ccc(Cl)cc2)=Cc2c1sc1ncnc(N)c21 84636136 BGUQECPEELVHLW-ARJAWSKDSA-N 367.905 5.705 0 1 FKAF CCCC[n+]1cn([C@@H](C)c2ccc3oc4ccccc4c3c2)c2ccccc21 96915720 LQOWBKWJRDKEIR-SFHVURJKSA-N 369.488 6.238 0 1 FKAF Clc1ccc(CNc2nc(NCc3ccccc3)nc3ccccc23)cc1 169337358 NNPQUDSGKFHOGC-UHFFFAOYSA-N 374.875 5.507 0 1 FKAF C[C@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1 204750859 YLKDCSFIEDEUOJ-SUMWQHHRSA-N 366.852 5.293 0 1 FKAF Fc1ccc([C@H]2C[C@H]3CC[C@@H](S3)[C@H]2c2cc(-c3ccccc3)no2)cc1 211318239 LSHLQBBAJNMIOH-MCEIDBOGSA-N 365.473 6.016 0 1 FKAF CC1(C)[C@H]2CC[C@@]1(C)[C@@H](c1cccc([C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)c1O)C2 299880482 MIZVZCOZDYEJKF-GXSNOWCSSA-N 366.589 7.252 0 1 FKAF CC(=O)Oc1ccc(-c2c(-c3ccccc3)c3ccccc3oc2=O)cc1 473118810 LRHPFJNTGQOMCQ-UHFFFAOYSA-N 356.377 5.052 0 1 FKAF Oc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586977182 YWBGWYVTYKNZRO-UHFFFAOYSA-N 358.022 5.005 0 1 FKAF CC(=O)CC/C=C/CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990400 DMUXLRMNPWJNOS-NSCUHMNNSA-N 371.436 5.010 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(C(=O)O)cc2[nH]1 587015107 XAWDGBDHSITJJZ-UHFFFAOYSA-N 369.833 5.013 0 1 FKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(F)cc(Cl)cc2[nH]1 587066817 SKZSTYKSLXYFDL-UHFFFAOYSA-N 360.219 5.775 0 1 FKAF Cc1cc(Cl)cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587092542 VQNXEINRVWTATL-UHFFFAOYSA-N 357.788 5.241 0 1 FKAF COc1cccc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587097915 PFIJTTVIKPNDPD-UHFFFAOYSA-N 365.432 5.354 0 1 FKAF Cc1ccc2c3c(cc([C@H]4C[C@@H]4c4cccs4)nc13)-c1ccccc1C2=O 587101493 GTCOOYFTCHMQAM-ROUUACIJSA-N 367.473 6.087 0 1 FKAF O=C1c2ccccc2-c2cc(CCc3ccc(Cl)cc3)nc3cccc1c23 587103032 AGDJXOYYWQEDPG-UHFFFAOYSA-N 369.851 5.885 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587154994 IBPKTVCQXXCITF-CQSZACIVSA-N 356.294 5.390 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587161494 OMHNGNCWTIFPPT-VXGBXAGGSA-N 365.633 5.389 0 1 FKAF C[C@@H]1CC(C)(C)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357896 WMDKFDBNNIVREA-NHLCRCCNSA-N 354.421 5.085 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(Cl)c4)o1)[C@@H](C2)C3=O 587420027 OOODHRGDBUITBQ-BTYIYWSLSA-N 366.800 5.097 0 1 FKAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(C1CCCCC1)[C@@H](C2)C3=O 587446432 WSBMXBYSHRGTAB-RDPSFJRHSA-N 362.469 5.227 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)CCCC3)CC2=O 587488653 JOSCVTQPEQPQKR-QHCPKHFHSA-N 350.458 5.104 0 1 FKAF O=C1C[C@@]2(CCSc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 587502185 BSKBRIWPRKCMDQ-OAQYLSRUSA-N 354.446 5.061 0 1 FKAF C[C@]1(c2ccc(F)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587510816 WZSCVQUAGRCCBG-XMMPIXPASA-N 360.428 5.738 0 1 FKAF Cc1cccc2c3c([nH]c12)[C@]1(CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587527271 UJCFHALNKLLQBC-VWLOTQADSA-N 371.480 5.552 0 1 FKAF C[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2S1 587538304 OYLHUVVXFIKSAO-JLCFBVMHSA-N 350.483 5.310 0 1 FKAF CC(C)C[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587819614 VRVMYCJNSMKHKB-NJSLBKSFSA-N 368.334 5.554 0 1 FKAF CC(C)[C@H]1CC[C@H](C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587831355 XBHVTBWTJPSLLJ-HXYMJUCXSA-N 368.334 5.410 0 1 FKAF CCc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587848614 OQXMFZWFGYOQJM-BMLIUANNSA-N 368.315 5.010 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2csc(Cl)c2)N1 587850184 YBVKXEVYUHYFMM-GLEZIHRCSA-N 374.706 5.101 0 1 FKAF CC/C(=C\c1nc2c(C)c(Br)cnc2[nH]1)c1ccc(C)cc1 587968470 TWHHROSFUJVQPQ-UKTHLTGXSA-N 356.267 5.288 0 1 FKAF Cc1cc(Br)cc2nc(/C=C\c3cccc4ccccc34)[nH]c12 587968716 OLQGMQLLWXHPGL-KTKRTIGZSA-N 363.258 5.957 0 1 FKAF CCC[C@@]1(Cc2ccccc2)c2ccsc2CCN1Cc1cccn1C 962369412 DGPBKWMNIJQAQD-HSZRJFAPSA-N 364.558 5.383 0 1 FKAF CCN(C/C=C/c1ccc(C(F)(F)F)cc1)CC1=CO[C@H]2C=CC=C[C@@H]12 1772581128 KEBGVFJLDWAFAY-KJBZUCPPSA-N 361.407 5.065 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(Cl)c3)c3oc4ccccc4c3n2)cc1 1772638754 ZWMKEEZOTIYMLJ-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF CCc1nc2ccc(C)cc2n1CCCCSc1ccc(OC)cc1 1857756100 LCLTZLLCSZMDDW-UHFFFAOYSA-N 354.519 5.488 0 1 FKAF Cc1nc2ccccc2n1[C@H](c1ccccc1)c1cc2ccccc2oc1=O 1911574674 OYTUZQRZQLYGMH-HSZRJFAPSA-N 366.420 5.089 0 1 FKAF CC[C@@H](C)NC(=O)C=CCCCCCCC=Cc1ccc2c(c1)OCO2 2356726626 ZPWYMHRULDAEAS-GOSISDBHSA-N 357.494 5.240 0 1 FKAF CCc1c(-c2ccc(OCCCN3CCCCC3)cc2)cc2ccccn12 1909702 INILXCLBRUEXEI-UHFFFAOYSA-N 362.517 5.424 0 1 FKAF CC(C)=C/C=C/[C@@]1(C)CCc2c(O)c(C(=O)O)c(C)c(CC=C(C)C)c2O1 13460804 LJFBYGPHKHZLQD-LZMFZKJZSA-N 370.489 5.514 0 1 FKAF biogenic,in-vitro CCOC(=O)c1ccc(NCCCCCCCCCCC(F)(F)F)cc1 29220569 SOYQOHFPJFBYNK-UHFFFAOYSA-N 373.459 6.348 0 1 FKAF Cc1c(Nc2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O 29467046 KCMBKDVYYBFMTC-UHFFFAOYSA-N 372.399 5.791 0 1 FKAF CCCCCOc1nc2ccccc2cc1[C@@H](O)C/C=C\CCCC(=O)O 36757830 MYQJVJVYZUFAJL-MNBNYPOFSA-N 371.477 5.038 0 1 FKAF Clc1cccc(-c2nnnn2Cc2c(Cl)cccc2Cl)c1Cl 43068689 TZTMDILIBJJPCG-UHFFFAOYSA-N 374.058 5.002 0 1 FKAF CCN(C)C(=O)N(C)CCCC/C=C\CCCCCCCCCC(=O)O 72108825 FUUQWPOIQFLTSB-LUAWRHEFSA-N 368.562 5.312 0 1 FKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@H]1c1cccc(F)c1 84759429 RLSQHBPQCFEAPR-LJQANCHMSA-N 352.434 5.067 0 1 FKAF COc1cc2c(cc1[C@H](C)NCCCc1ccccc1)CCC(C)(C)O2 96932115 UVSWSOVZCNJYRC-KRWDZBQOSA-N 353.506 5.082 0 1 FKAF CCCCN(CC)C1=CC(C)=N[C@@H]2[C@@H]1C(C)=CN2c1c(C)cc(C)cc1C 100058216 OXBSTIROOYKZJO-VWNXMTODSA-N 365.565 5.758 0 1 FKAF CC(=O)OC/C=C(\C)C[C@@H](C)C[C@@H](C)CCCCCCCCC(C)C 103176516 YOKQQBWIWJYSNO-ZDEWFUBOSA-N 352.603 7.325 0 1 FKAF CC(C)CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169323466 UIRGBYWISWGYEM-ZCHHODMYSA-N 373.581 5.081 0 1 FKAF CCC/C=C/CSC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253883987 QXBFRDGMYMBQMJ-ZTVBLCBUSA-N 352.540 5.071 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccnc(Cl)c3[nH]2)c1 586879098 OSEDSJJPINCJTF-UHFFFAOYSA-N 361.832 5.126 0 1 FKAF CC(C)=C1CC[C@@H](C)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991421 UTPLNNUXURNXNX-CYBMUJFWSA-N 355.437 5.843 0 1 FKAF Cc1ccc2c3c(cc(-c4sccc4Cl)nc13)-c1ccccc1C2=O 587103299 VTYOSIOMQXKDLF-UHFFFAOYSA-N 361.853 6.137 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cnn(C4CCCC4)c3)nc3cccc1c23 587104264 FYLYPQUCVWXPPX-UHFFFAOYSA-N 365.436 5.425 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccc(F)c3[nH]2)c1 587196463 WBDRBKRBDRFIBE-UHFFFAOYSA-N 355.413 5.049 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)Sc1ccc(Cl)cc1)O2 587410708 WQBOBNAWJMSSRP-KRWDZBQOSA-N 361.894 5.135 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccccc3)s1)CC2=O 587493277 CZHFBTSYSASHHI-GOSISDBHSA-N 365.454 5.175 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)Nc1cccc(C(F)(F)F)c1 587629831 JXRKZTVTLGTDLR-UHFFFAOYSA-N 370.733 5.540 0 1 FKAF Cc1c(-c2c(C)n(CC(=O)O)c3ccccc23)[nH]c2cc(Cl)c(F)cc12 587632189 SBKZTNGPUAHWPW-UHFFFAOYSA-N 370.811 5.284 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccccc2Cl)N1 587696095 KWFAORTYXPWZRG-BONVTDFDSA-N 368.677 5.060 0 1 FKAF COc1ccc(CCCc2nc3ccc(C(C)(C)C)cc3[nH]2)c(OC)c1 587929570 XCYGAYNWAZNQRU-UHFFFAOYSA-N 352.478 5.053 0 1 FKAF Cc1c(Br)ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 587965686 VHJUMSYXWQEQQZ-UHFFFAOYSA-N 357.295 5.473 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3cc[nH]c3c2)n1 653686929 SBPOILUWDXXFLG-HXUWFJFHSA-N 354.457 5.423 0 1 FKAF FC(F)(F)c1ccc(-c2nc3cccnc3c3c2Cc2ccccc2-3)cc1 653739245 IYUBAWLZIXFZGT-UHFFFAOYSA-N 362.354 5.887 0 1 FKAF CN1CCC[C@@H](c2ccc3c(c2)CC[C@@H]3N(C)Cc2ccc(Cl)cc2)C1 653805862 UOBRTKRGDGOYCS-OFNKIYASSA-N 368.952 5.269 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(SC(F)F)cc2)N1 962944807 FPRCMCCLNVNPDT-QKKBWIMNSA-N 372.484 5.670 0 1 FKAF CC1=CCC(C)(C)C[C@@H](OC(=O)C=Cc2ccc(O)cc2)CC(C)=CCC1 2356444353 SPBVSJHMHZCQRT-QFIPXVFZSA-N 368.517 6.200 0 1 FKAF c1ccc(OCCn2c3ccccc3c3ccnc(-c4ccccn4)c32)cc1 2382235691 CPMRZYYDMSAXSW-UHFFFAOYSA-N 365.436 5.331 0 1 FKAF CCCCCC[C@H](c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 22941640 PYVYQSFRPHLGSU-VJBWXMMDSA-N 370.968 6.126 0 1 FKAF COC(=O)c1sc(CCC(C)C)cc1NC(=O)Nc1ccc(C)cc1 28218664 XSVHNCLLPLYPOE-UHFFFAOYSA-N 360.479 5.076 0 1 FKAF C=C(c1ccc(Cl)cc1)c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1 33983787 BXHPSIPCFWYNIC-UHFFFAOYSA-N 373.843 5.044 0 1 FKAF O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)OCc1ccccc1 36453335 HERDSLDSVRSEBR-UHFFFAOYSA-N 362.360 5.383 0 1 FKAF CCCN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1ccco1 36474189 PMPZTWLXIDYKFN-UHFFFAOYSA-N 371.912 5.586 0 1 FKAF Cc1ccccc1[C@](O)(CCCN1[C@@H](C)CCC[C@H]1C)c1ccccc1 40374639 CSEFBNLLZLOJNN-IMSXRSKXSA-N 351.534 5.274 0 1 FKAF Cc1ccc(CCc2ccc(Nc3ccccc3C(=O)O)cc2)cc1Cl 40835814 NGHBEPLUGPVSRA-UHFFFAOYSA-N 365.860 5.875 0 1 FKAF CCCn1c(C)c(C(=O)c2ccc(OCC)c3ccccc23)c2ccccc21 43016194 UOQYTDWXUDZRMX-UHFFFAOYSA-N 371.480 6.143 0 1 FKAF O=C(c1cc(-c2cc3ccccc3o2)nc2ccccc12)N1CCCCC1 103191915 FBTQJSFFMLMXJF-UHFFFAOYSA-N 356.425 5.274 0 1 FKAF Cc1ccc(F)cc1-c1ccc2ncnc(Nc3cccc4[nH]ncc34)c2c1 143119541 ZBZGWPWATXMCSH-UHFFFAOYSA-N 369.403 5.364 0 1 FKAF CCCCCn1cc(O)c(-c2nc(-c3ccc(Cl)cc3)cs2)c1N 169692232 QIVHROUEYMCJIG-UHFFFAOYSA-N 361.898 5.410 0 1 FKAF FC(F)(F)c1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Cl 586885698 NJZHWGQIFHHQME-FZKQIMNGSA-N 362.782 5.607 0 1 FKAF CCCCC1CCC(c2nc3cc(F)cc(Br)c3[nH]2)CC1 586890274 OBLHJEQTBKRRPY-UHFFFAOYSA-N 353.279 5.929 0 1 FKAF Oc1cccc(CCCCc2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 586896089 JQWJYUTVIPWNNJ-UHFFFAOYSA-N 358.441 5.626 0 1 FKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(F)c1 586994712 CUOZMPWPESQFGZ-UHFFFAOYSA-N 353.396 5.869 0 1 FKAF Fc1c(F)c(F)c2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2c1F 587073013 CPJWFTOYJHHKGH-UHFFFAOYSA-N 354.734 5.047 0 1 FKAF Cc1c(Cl)ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083523 YIDSJUKZJSSJBH-UHFFFAOYSA-N 362.647 6.047 0 1 FKAF CCOC(=O)[C@@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)C(C)C 587096481 KGAHIURGUUEWOX-HXUWFJFHSA-N 373.452 5.057 0 1 FKAF O=C(CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(F)cc1 587163254 OMEQSJSVIATBKH-UHFFFAOYSA-N 368.355 5.129 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3nccc(Br)c3[nH]2)cc1 587164117 ODHASJWXDUBMMQ-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF C=CC(=O)Nc1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1 587245058 WDANRDFLUDNLNH-UHFFFAOYSA-N 365.742 5.027 0 1 FKAF COc1cccc(-c2cc(-c3ccnc(O)c3)nc3c2oc2ccccc23)c1 587364371 VFIAEIIHLPSKGW-UHFFFAOYSA-N 368.392 5.424 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCC(C)C)cc1)CC2=O 587484479 RYMUKQHTLFTUFZ-QFIPXVFZSA-N 368.473 5.476 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)noc1C)CC2=O 587485169 PYTBFMVDQLKAOR-IBGZPJMESA-N 363.413 5.015 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1Cc1ccccc1)CC2=O 587485582 WCIDKRSSRGZCNR-GAJHUEQPSA-N 350.458 5.092 0 1 FKAF O=C1C[C@H](c2cc(F)ccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587510639 WPLQNCRSCIIAIW-GOSISDBHSA-N 364.338 5.430 0 1 FKAF O=C1C[C@@H](c2cccc(-c3cc(O)ccn3)c2)Oc2c1ccc1c2CCCC1 587515747 QORJRIMLIFCWLA-QHCPKHFHSA-N 371.436 5.040 0 1 FKAF CC(=O)c1c(C)cc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587521779 GGPMOJXFTCJUDT-OAQYLSRUSA-N 362.469 5.400 0 1 FKAF COc1cccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)c1 587629735 ZPHUPQJJJBBACQ-UHFFFAOYSA-N 353.727 5.084 0 1 FKAF Cc1[nH]c2ccccc2c(=O)c1Cc1c(C)[nH]c2ccc(F)c(Cl)c12 587632289 IWFQPOTWCZVVJD-UHFFFAOYSA-N 354.812 5.010 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Cl)s2)N1 587849852 WPTJZLQAPNCYLW-GLEZIHRCSA-N 374.706 5.101 0 1 FKAF CC(C)(C)C[C@@]1(c2ccc(Cl)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963107601 RYTHQJPUKCRIOO-WMZHIEFXSA-N 371.927 6.179 0 1 FKAF COC(=O)[C@H](C)C=CC=C(C)CCC1=C(C)CC[C@H]2C(C)(C)CCC[C@@]12C 2356444096 KIYHLAKXAOIJFX-KJWPAHLWSA-N 372.593 7.021 0 1 FKAF O=C(c1ccccc1)c1cc(O)c(-c2cccc(C(F)(F)F)c2)c(O)c1 2382227184 TUGFOURPPWFBHT-UHFFFAOYSA-N 358.315 5.015 0 1 FKAF C/C(=C(/F)c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 26388526 ZRVHERQSWAFCQW-QNGOZBTKSA-N 366.476 6.592 0 1 FKAF C=Cn1cc(-c2ccc(Cl)cc2)c([C@@H](c2ccccc2)n2ccnc2)c1 28467658 QSZFONROKILZDE-JOCHJYFZSA-N 359.860 5.743 0 1 FKAF CCC[C@@H](C)C(=O)[C@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40424718 NRKZBOVABVDFTP-OPAMFIHVSA-N 373.452 5.653 0 1 FKAF C[C@@H]1CCC[C@@H](C)N1C[C@H](O)CSC(c1ccccc1)c1ccccc1 40506079 OCNUIQXAVRCMGG-KNKQGSTJSA-N 369.574 5.133 0 1 FKAF CCCC(=O)c1ccc2c(c1)/C(=C\CCN(C)C)c1ccccc1S2 40511623 GMERILNFLCDEOE-YVLHZVERSA-N 351.515 5.517 0 1 FKAF Clc1ccc(CNCCCCCCNCc2ccc(Cl)cc2)cc1 45201631 BSMDYBWUHZEDJU-UHFFFAOYSA-N 365.348 5.433 0 1 FKAF c1cc(-c2ccc(CN3CCCCC3)cc2)cc(-c2nc3ccccc3[nH]2)c1 45321030 PPHXALKPJYFXOJ-UHFFFAOYSA-N 367.496 5.883 0 1 FKAF CCCC(CCC)C(=O)O[C@H](Cn1ccnc1)c1ccc2ccccc2c1 49071498 UELLYDDCZGLDBP-JOCHJYFZSA-N 364.489 5.537 0 1 FKAF CCN(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21 49792549 RZKSCIPGCFHGQH-CYFREDJKSA-N 370.496 5.693 0 1 FKAF Cc1ccc2[nH]c3c(c2c1)CCN(Cc1ccccc1)[C@@H]3c1cccc(O)c1 49802699 OQJGJXUXOAVASJ-RUZDIDTESA-N 368.480 5.330 0 1 FKAF CC[C@H](C)[C@]1(C2CC2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 64373037 UQXDHWQVXMPCQL-BTDLBPIBSA-N 360.807 5.401 0 1 FKAF CCC(CC)c1nc2c(NCc3ccccc3)ncnc2n1C[C@H](C)CC 82178687 ULTVPKMDQGBHJU-MRXNPFEDSA-N 365.525 5.388 0 1 FKAF NCCS[C@@](Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1 84653509 VEENITYNLWXOSY-QFIPXVFZSA-N 367.945 5.518 0 1 FKAF CC(C)c1c(O[C@@H]2CCCC[C@@H]2C)cc(Cc2ccc(Cl)cc2)[nH]c1=O 95587661 BPUZMPXCUWYQIB-HNAYVOBHSA-N 373.924 5.700 0 1 FKAF CCCCCN1CC[C@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3ccccc3c12 100725692 XPCLUWISULHCPB-UQBPGWFLSA-N 374.528 5.370 0 1 FKAF CN1[C@@H]2CC[C@@H]1CC(=CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100897390 OCVGKOKAQNBCSV-FGZHOGPDSA-N 369.455 5.254 0 1 FKAF CCCCC/C=C\CCCCCCCC/C=C/C(=O)NCCCC(C)C 135630230 VKLJBDNWQLCAND-NUPCQWBKSA-N 363.630 7.352 0 1 FKAF CN(C)Cc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 145611577 WNUIQEHUCRSVPA-LJQANCHMSA-N 366.486 5.063 0 1 FKAF CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@@H](c2ccc(Cl)cc2)C1 203834295 NUCGZDHKOKKLHY-QGZVFWFLSA-N 356.853 5.392 0 1 FKAF CC1(C)[C@H]2CC[C@@H](CNc3cc(Oc4cccc5cccnc45)ncn3)[C@H]1C2 299878268 ISRLNFDIDBSOMI-OKZBNKHCSA-N 374.488 5.301 0 1 FKAF CC(C)c1c(-c2cccnc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988703 WSQDZURDSCKNBQ-UHFFFAOYSA-N 366.420 5.337 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)nccc4[nH]3)c21 587030919 MMCIBFDLSGMCKC-NSHDSACASA-N 368.893 5.570 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4c(OCc5ccccc5)cccc4[nH]3)cc2C1 587034378 TYNHDKGZWSSJRB-OAHLLOKOSA-N 374.509 5.995 0 1 FKAF Clc1ccc(CN2CCC[C@@H]2c2nc3cnc4ccccc4c3[nH]2)cc1 587076990 OOOOCYVRUTXJLL-LJQANCHMSA-N 362.864 5.102 0 1 FKAF Cc1ccc2c(ccc3[nH]c(-c4ccc(-c5ccc(Cl)nn5)cc4)nc32)n1 587086703 CYXZOEVYUTUOBY-UHFFFAOYSA-N 371.831 5.197 0 1 FKAF CC/C=C\CCCc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366325 KYGLWIGCOQHEFB-PLNGDYQASA-N 371.480 6.946 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C)Sc2ccccc21 587496136 RUMFETKCNKTFSA-LRTDBIEQSA-N 354.471 5.090 0 1 FKAF O=C1C[C@H](c2cc(C(F)(F)F)ccc2F)Oc2c1ccc1c2CCCC1 587505709 IGMDQFQYYYUOLQ-GOSISDBHSA-N 364.338 5.430 0 1 FKAF O=C1C[C@H](c2c[nH]c3c2ccc2ccccc23)Oc2c1ccc1c2CCCC1 587525594 OGYKDXSNGHKTAQ-HSZRJFAPSA-N 367.448 5.906 0 1 FKAF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2COc2ccccc2)cc1 587630255 IBRONLGBFOJYIG-UHFFFAOYSA-N 369.798 6.346 0 1 FKAF CCc1c(-c2cc(Br)ccc2F)[nH]c2ccc([C@@H](C)CC)cc12 587641931 KTIADCWPJYEJMH-LBPRGKRZSA-N 374.297 6.812 0 1 FKAF Cc1ccc([C@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587815379 MAXWFBVLLGMLDG-ZUOKHONESA-N 374.297 5.084 0 1 FKAF CC1=CCC[C@H](C)[C@@H]1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587818464 DMHKDLVYBDVOHU-NNDWQROWSA-N 352.291 5.156 0 1 FKAF Fc1cc2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2cc1Cl 587956501 RVOMSGIOYCRRSA-MRXNPFEDSA-N 350.824 5.730 0 1 FKAF CC(C)c1cc([C@]2(C(C)C)c3c(F)cccc3C[C@H]3CCCN32)ccc1O 963108484 PFHHNSZIACTGEF-NTKDMRAZSA-N 367.508 5.575 0 1 FKAF Oc1nc(-c2cc3cc(Br)ccc3o2)cc(-c2cccs2)n1 1857563451 PKPWFPOOSXINBD-UHFFFAOYSA-N 373.231 5.086 0 1 FKAF COc1cccc([C@@H]2Oc3cc(OC)ccc3[C@H]2c2ccc(F)c(F)c2)c1 1857749797 YDPAEXNXOLTAEC-YADHBBJMSA-N 368.379 5.248 0 1 FKAF CC(=O)O[C@H](CC(C)=CC(=O)O)[C@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]21 2356550618 QMNGBVSRMNPSBB-QYWQTSRKSA-N 362.510 5.138 0 1 FKAF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356740357 ATKIEOWZLVCTKM-QQFCIIBFSA-N 370.621 6.775 0 1 FKAF COc1ccc(-c2sc3ccccc3c2/C=C/c2ccc(N)cc2)cc1 61969045 CCXJYSRCSFBICK-OVCLIPMQSA-N 357.478 6.330 0 3 FKAF CCc1nc(CCCCCCC(=O)c2ccccc2)n2nc(Cl)ccc12 5886951 HYXAKSPXUBIKLK-UHFFFAOYSA-N 369.896 5.321 0 1 FKAF CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(Cl)cc3C(C)=O)ccnc21 13479616 OWBGDAIVUQJYPW-CYBMUJFWSA-N 369.896 5.878 0 1 FKAF Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccccc3)c3ccc(C)cc32)cc1 13490217 GSUPFBPLFYOOLO-XXBNENTESA-N 370.496 5.896 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNCc1ccoc1 13517553 RUJDAYLPXBMWEC-DOFZRALJSA-N 369.593 7.515 0 1 FKAF O=C(Nc1ccc(-c2ccccc2)cc1)Nc1cc(Cl)ccc1C(=O)O 13531892 MHKORSIIJIQRMD-UHFFFAOYSA-N 366.804 5.349 0 1 FKAF Fc1cccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)c1 13672198 JDAANLOCFREMRX-UHFFFAOYSA-N 360.436 5.457 0 1 FKAF CC(C)=CCC/C(C)=C/CCCN1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1 13756362 BZZVMJFCRLBIFB-SNFPLSTDSA-N 359.598 5.889 0 1 FKAF O=C(O)CC[C@@H](Oc1cccc(OCc2ccccc2)c1)c1ccccc1 13780347 JCFWIDJCYZOMTD-JOCHJYFZSA-N 362.425 5.251 0 1 FKAF O=C(O)C[C@H]1CC[C@H](c2ccc(OCc3ccc4ccccc4n3)cc2)C1 26675357 QLCYDOOHNFRQMA-LPHOPBHVSA-N 361.441 5.172 0 1 FKAF CSc1nc(-c2ccc(Cl)cc2)c(-c2ccc(C(F)(F)F)cc2)[nH]1 28220999 JIDSVVGHXBFGCV-UHFFFAOYSA-N 368.811 6.138 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](CCC(=O)O)OC 28342323 UAHUQBJMSAKKNP-QUBWHTJPSA-N 358.522 6.174 0 1 FKAF CCC(CC)n1cc2c3c(nc(C)cc31)N(c1ccc(OC)c(F)c1)CC2 28958566 YNVMSKGSCGWZAT-UHFFFAOYSA-N 367.468 5.548 0 1 FKAF Fc1ccc2c(C3CCN([C@@H]4Cc5cccc6cccc4c56)CC3)c[nH]c2c1 36222033 DVBJVGHTTIHWNV-XMMPIXPASA-N 370.471 5.937 0 1 FKAF Cc1cc(-c2ccsc2)c2ncc(CSCc3ccccc3)n2c1 40392388 VVAIBFCUZAJTGY-UHFFFAOYSA-N 350.512 5.805 0 1 FKAF CCCCCc1c(C/C=C(\C)CCC=C(C)C)c(O)cc(O)c1OC(C)=O 43078828 DZLSXQDQGMAPKJ-GHRIWEEISA-N 374.521 5.991 0 1 FKAF CCN1CCC(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)=C[C@@H]1C 49071724 ASPRKFLJNYTNON-INIZCTEOSA-N 361.464 5.380 0 1 FKAF CCCCc1cnc(CCCc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1 49110082 JJXCRKAGKCZXLR-UHFFFAOYSA-N 362.473 5.293 0 1 FKAF C[C@@H]1CCCCCCCc2cc(OCc3ccccc3)cc(O)c2C(=O)O1 66074332 ICDOZNSOXDMASX-QGZVFWFLSA-N 368.473 5.413 0 1 FKAF CCCCCN(CCCCC)C(=O)Cc1coc(-c2ccc(F)cc2)n1 72120550 OIVCQJPVWSEBEA-UHFFFAOYSA-N 360.473 5.232 0 1 FKAF CCOc1ccccc1-c1nc(C(=O)OCCC2CCCCC2)cs1 82075160 UYEICEUPUIMFKS-UHFFFAOYSA-N 359.491 5.336 0 1 FKAF Cc1nn(C(=O)C2(c3ccc(Cl)cc3)CCCC2)c2c1[C@@H]1[C@@H](C2)C1(C)C 104267633 DPHIZSSZIKDKFW-APWZRJJASA-N 368.908 5.293 0 1 FKAF biogenic CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC/C=C\CCCC(=O)O 169636526 YFFYZNLBGSMHGN-IOVSUILASA-N 352.603 7.627 0 1 FKAF 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@@]12C 299805753 AZFLHSKQKSZOET-QOVMQUBRSA-N 374.565 5.283 0 1 FKAF Cc1ccc2nc(-c3ccc(-c4c(C)noc4C)cc3)c(NC(C)(C)C)n2c1 299822583 CYIIUYPTRVXPEN-UHFFFAOYSA-N 374.488 5.792 0 1 FKAF Cc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cc1Cl 587077492 ZEWSGJKWZDERLN-UHFFFAOYSA-N 370.239 5.613 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587112363 GGCAQXCLNQRFIJ-QMMMGPOBSA-N 374.193 5.630 0 1 FKAF Fc1cc(Cc2nc3ccc4c(c3[nH]2)CCCC4)ccc1-c1ccccc1 587145742 RCODPFYBMVGFRO-UHFFFAOYSA-N 356.444 5.839 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(Cl)nc3[nH]2)c1 587239109 UXDXHGCDZWUSFO-UHFFFAOYSA-N 363.852 5.221 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cc(OC)ccc3c1)CC2=O 587481232 QFDBXZUZXJVKMM-QFIPXVFZSA-N 362.425 5.213 0 1 FKAF O=C1C[C@@](c2ccc(F)cc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587510769 WFZPAZFZFKABMD-XMMPIXPASA-N 373.427 5.009 0 1 FKAF Cc1cccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546941 RMBDKLIWADYHML-WIYYLYMNSA-N 366.800 5.057 0 1 FKAF C[C@@H]1CC(C)(C)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587818400 CYJSEHWULDWXOE-SEDUGSJDSA-N 354.307 5.164 0 1 FKAF CCCCC/C=C/C=C/[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820028 NVPSKDZIQNMHHX-WBXYUESDSA-N 366.318 5.856 0 1 FKAF CC/C=C/CC/C=C\[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820029 NWJCGHLIYLDQQG-NRZRMTSZSA-N 352.291 5.466 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccccc3)[C@H]2C)N1 587822121 IROJHRWOYIBZPK-HYIGOFEPSA-N 374.297 5.141 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2)cc1 587936748 YZJOATKNNSOOBG-UHFFFAOYSA-N 369.251 6.212 0 1 FKAF Oc1cc(-c2ccccc2)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587944267 BVHLJFSPCQGBDM-UHFFFAOYSA-N 363.363 5.501 0 1 FKAF Clc1cnc(Cl)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc12 587956455 RGXZDOVJIPKKKP-HNNXBMFYSA-N 368.267 5.639 0 1 FKAF C/C(=C/c1nc2c(Br)cnc(Cl)c2[nH]1)C1CCCCC1 587966138 AYDIBFUJHOEWDI-CLFYSBASSA-N 354.679 5.357 0 1 FKAF Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(N(C)C)c2)c1 1772626452 YNKHTWTUVRPYNU-UHFFFAOYSA-N 372.394 5.280 0 1 FKAF Clc1ccc(-c2ccc(Cn3nnc4ccccc43)cc2)c(Cl)c1 1857548128 LGUSEIYHPBMFKA-UHFFFAOYSA-N 354.240 5.453 0 1 FKAF CN[C@@H]1CC=C2C=C3CC[C@]4(C)[C@H]([C@H](C)N)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C 2356614796 IECOUAMPFIEPAJ-LNUJPJEYSA-N 370.625 5.447 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C5=C(CC[C@H]4[C@@]3(C)CC[C@H]12)COC5=O 2356796349 NDOOUOLTMVDOLY-FGXRHQIXSA-N 370.577 6.299 0 1 FKAF COc1ccc(CNc2nnc(Cl)c3cc(Cl)ccc23)cc1Cl 13780946 YIXMAXQFMAUZNE-UHFFFAOYSA-N 368.651 5.211 0 1 FKAF CCC1(C)C2CN(CC3CCCCC3)CC1CN(CC1CCCCC1)C2 26976353 VMYGDSVHOBLPCO-UHFFFAOYSA-N 360.630 5.427 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\[C@H](F)CCC(=O)OC 28341772 AYMZWAADCUJCHQ-MORMTOSTSA-N 374.540 6.975 0 1 FKAF Clc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2C2CCCC2)cc1 40898760 KLDOVZZNWJFVRF-UHFFFAOYSA-N 365.691 6.779 0 1 FKAF CC(C)N(C(=S)SCc1oc2ccccc2c(=O)c1Cl)C(C)C 43068214 YVJFIIGWSURIDM-UHFFFAOYSA-N 369.939 5.083 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cnc(Cl)c1 45358608 DFLFRVZLMATTHR-HOTGVXAUSA-N 373.349 5.998 0 1 FKAF C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](N=O)CC[C@@H]4[C@H]3CC[C@@]21CC 78410773 SHUKQGIGCAITKX-JSXDIISVSA-N 369.505 5.019 0 1 FKAF O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(Oc3ccccc3)cc1C2 96923845 PFWWVUCTONQKHH-UHFFFAOYSA-N 371.367 5.436 0 1 FKAF O[C@@H](C[C@H]1CCCCN1)c1cc(-c2ccccc2)nc2c(Cl)cccc12 169334664 OSIKORCARZAAQO-IERDGZPVSA-N 366.892 5.121 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(Cl)c(Cl)nc2[nH]1 586878963 NDKKMQOFIOTSOK-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF COc1cc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)ccc1O 587106506 ILHXPESMYLRKJE-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc3ccccc3cc2[nH]1 587148209 GPOLODDSUZDQGU-UHFFFAOYSA-N 360.367 5.062 0 1 FKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(F)cc(Cl)cc3[nH]2)cc1 587157745 FQTVWMKCEOAEGX-UHFFFAOYSA-N 368.770 5.641 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](Cc1ccccc1)CC3 587207198 JRLJDDBLQYSEJL-KRWDZBQOSA-N 361.444 5.719 0 1 FKAF CC(=O)CC/C=C\Cc1c(C)nc2cccc3c2c1-c1ccccc1C3=O 587207754 UQYXUPORWRZSAC-HYXAFXHYSA-N 355.437 5.223 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@H]3C(C)C)c1 587365253 GCTSNZMODQHGRS-SFHVURJKSA-N 371.480 6.733 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](Cc3ccccc3)C1)CC2=O 587481495 MNGTXMAEPBUIMH-UZUQRXQVSA-N 350.458 5.092 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(C)c(C=O)c(C)c1C)CC2=O 587484487 SHJRHFUGNJOEAZ-OAQYLSRUSA-N 366.457 5.097 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCSc3ccc(Cl)cc31)CC2=O 587498113 YQXRCOKEJUVKLY-FQEVSTJZSA-N 374.889 5.355 0 1 FKAF CCOC(=O)c1c(C(Cl)(Cl)Cl)[nH]c2c(C)cc(Cl)cc12 587623525 IRQXEJZNPGGMCX-UHFFFAOYSA-N 355.048 5.133 0 1 FKAF Cc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587813813 DWSGVZQQRYUFPI-HXPMCKFVSA-N 362.286 5.003 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](c3ccccc3)C2)N1 587818631 RNUGGPBVPTWSHW-PSGMQZRDSA-N 374.297 5.285 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC[C@H]2C[C@H]3CC[C@H]2C3)N1 587819790 NNUJFVAFUMCWTA-AJWVQSQLSA-N 366.318 5.380 0 1 FKAF CC(C)[C@H]1CC[C@]2(C[C@@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587824802 YTXMIYAQMSWPEP-FAYLSGKYSA-N 368.334 5.410 0 1 FKAF Fc1cnc(Cl)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 587951099 WKLLYYJTZGZZBQ-KHPPLWFESA-N 365.795 5.713 0 1 FKAF Cc1cc(C(F)(F)F)c([C@@H]2NCCc3cccc(-c4ccccc4)c32)cn1 962667344 LNMSHNAHVWVEGL-NRFANRHFSA-N 368.402 5.311 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc(OC2CCCCC2)nc1 963230850 BEFWESQXXJBGRI-KOSHJBKYSA-N 364.533 5.539 0 1 FKAF C/C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772578963 KOUPGPJAHPLLTG-BDRXZPHYSA-N 355.610 6.440 0 1 FKAF CC1(C)[C@@H]2CC[C@@H](CNC(=O)c3cc4c(Cl)cc(Cl)cc4[nH]3)[C@H]1C2 1857601931 TYZFDFAMAVJMMW-MISXGVKJSA-N 365.304 5.277 0 1 FKAF COc1ccc(Cl)c(-c2ccc(NC(=O)CCc3ccccc3)cc2)c1 1857643406 RGVJBCNMAUFDSI-UHFFFAOYSA-N 365.860 5.587 0 1 FKAF CC(=CCC[C@@H](C)[C@]1(O)CC=C(C)CCC=C(C)CCC=C(C)CC1)CO 2356605241 YSQWNHGXBZOTNJ-RPBOFIJWSA-N 374.609 6.656 0 1 FKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]12 2356691641 RBSYKCMZHUVTOE-OPBMBUAESA-N 370.577 6.631 0 1 FKAF COc1ccc([C@H](c2cc3ccccc3o2)c2c[nH]c3ccccc23)cc1 2382243785 SUATXLLIJOIACZ-DEOSSOPVSA-N 353.421 6.103 0 1 FKAF O=C(O)c1ccc(-c2cc3cccnc3c(-c3cccc(Cl)c3)n2)cc1 587602 WYEOCWCFOOXSMR-UHFFFAOYSA-N 360.800 5.315 0 1 FKAF CC(C)=CCC/C(C)=C/CCCN1CC=C2C(C)(C)[C@H](O)CC[C@]2(C)C1 13756370 BZZVMJFCRLBIFB-MUDHTOSPSA-N 359.598 5.889 0 1 FKAF CCOC(=O)c1oc2cc(-c3cccc(C(F)(F)F)c3)cc(O)c2c1C 28377224 BMXIBAXQELHNFF-UHFFFAOYSA-N 364.319 5.309 0 1 FKAF c1ccc([C@@H](N/C2=N/CCCCCCCCCCC2)c2cccs2)cc1 39200606 XZEHGVZIFWFDDJ-HSZRJFAPSA-N 368.590 6.740 0 1 FKAF C[C@@]12C=C(/C=C/C=C/c3ccco3)[C@@](C)(C1)[C@H](/C=C\c1ccco1)CC2=O 72120569 UQMOFGNDJAVHLT-LIIVWDBUSA-N 360.453 6.087 0 1 FKAF c1ccc(C[C@H](c2ccccc2)N2CCN(C3CCCCCC3)CC2)cc1 169317939 OOXAMAXYPASGNA-RUZDIDTESA-N 362.561 5.311 0 1 FKAF CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 255231381 MBSGEJIBVFNKNE-HXJAKPJXSA-N 358.566 5.542 0 1 FKAF Cc1ccc(-c2cnc(C3(NCc4c[nH]c5ccccc45)CCC3)[nH]2)cc1 473096132 YXMKBKUMFZIOMD-UHFFFAOYSA-N 356.473 5.035 0 1 FKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc4ncccc4c3[nH]2)c1 587048587 KGADFIFHCSCNMY-UHFFFAOYSA-N 364.836 5.026 0 1 FKAF CNc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587066705 GESRIGGIOGGJTM-UHFFFAOYSA-N 360.166 5.597 0 1 FKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cccnc4[nH]3)cc2F)c1 587143465 UBIHSIYGFIOFOA-UHFFFAOYSA-N 353.784 5.093 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4ccc(O)cc4[nH]3)c(Cl)c2)cc1F 587146080 YHLNTHSPCRVZFU-UHFFFAOYSA-N 352.796 5.703 0 1 FKAF CCC[C@H](C)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587364959 HEDQEJUYOGGXBJ-HNNXBMFYSA-N 359.469 6.869 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CC(=O)C[C@H]32)c1 587367744 UHXOKFDJLLWNNE-KDOFPFPSSA-N 369.420 5.275 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1cc(C(C)(C)C)ccc1Cl)[C@@H](C2)C3=O 587423715 VPSDUYGURSSQRF-MGPUTAFESA-N 356.849 5.135 0 1 FKAF COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)cc1 587629566 BVSQVYOBSJLXEU-UHFFFAOYSA-N 371.717 5.381 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(-c3ccc(F)cc3)c2c1 587643957 ZBKTVDZLCGMZFA-MRXNPFEDSA-N 373.471 7.163 0 1 FKAF CCCCC1(CCCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587814727 VFASJIUCQVRODP-CYBMUJFWSA-N 356.323 5.698 0 1 FKAF Cc1c(F)ccc2c1[C@@](C)(c1ccc3ccccc3c1OC(F)F)NCC2 962297567 JWHKDXQMZFSNDV-JOCHJYFZSA-N 371.402 5.298 0 1 FKAF Cc1ccc(CC[C@]2(c3cc(C)ccc3C)NCCc3c(C)ccnc32)cc1 963064610 BDUVQXQHLKEMBV-AREMUKBSSA-N 370.540 5.337 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(-c2ccccc2OC)cc1 963240563 KOXYHEKUOUTAGN-NIYFSFCBSA-N 371.524 6.108 0 1 FKAF COc1ccc2c(-c3ccc(-c4ccc(Cl)cc4)s3)cc(=O)oc2c1 1857569296 ZSIUXWGRZFAICM-UHFFFAOYSA-N 368.841 5.851 0 1 FKAF COC(=O)/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 1857617574 ITJMDAQJBNNQSH-YGWYNWFMSA-N 372.505 5.410 0 1 FKAF CC(=O)OCC[C@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]12C 2356411000 GOELMEMIXUGWKT-IOEFZWJXSA-N 350.543 5.126 0 1 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@@H](C)N(C)C)C1 2356493984 NLOJUKSOUNWUSW-UKLYKMQYSA-N 360.630 5.183 0 1 FKAF CC(=CCO)CCC=C(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 2356690270 QVAALZYWZYXTTP-GOTSBHOMSA-N 364.658 8.091 0 1 FKAF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356740359 ATKIEOWZLVCTKM-UCHPSUPUSA-N 370.621 6.775 0 1 FKAF COc1c(-c2cccc3ccccc23)c2ccnc3cc[nH]c(c1OC)c32 2382217169 HFPUOMMLDGDQKR-UHFFFAOYSA-N 354.409 5.554 0 1 FKAF COc1ccc([C@H]2C[C@@](O)(c3ccccc3)Oc3c(C)ccc(C)c32)cc1 13661761 WYYQQTXSEYRJPH-QPPBQGQZSA-N 360.453 5.072 0 3 FKAF CCCCC(=O)N(C)c1c(CC)nc2c(OCC3CCCCC3)cccn12 61902661 JRPZTJQLRMJEDD-UHFFFAOYSA-N 371.525 5.009 0 3 FKAF CC(C)(C/C=C/c1ccc(/C=C/CC(C)(C)CC(=O)O)cc1)CC(=O)O 596208 MDPOYQZCXPBZJP-KQQUZDAGSA-N 358.478 5.495 0 1 FKAF CCCN(CCC)CCCN1CCC2(CCC(CCC)(CCC)CC2)C1 26744576 HIERATHBFLIEMZ-UHFFFAOYSA-N 364.662 6.351 0 1 FKAF CC[C@@H](c1ccc(COC)c(O)c1)[C@@H](CC)c1ccc(COC)c(O)c1 27654648 ZKDYEIXJPAYXPN-PMACEKPBSA-N 358.478 5.078 0 1 FKAF O=c1ccc2c(-c3ccccn3)cccc2n1-c1c(Cl)cccc1Cl 29125618 CBUPCUVOHAMJLP-UHFFFAOYSA-N 367.235 5.360 0 1 FKAF C[C@@H](NC1=NCCCCC1)c1ccc(OCCCOc2ccccc2)cc1 39369518 ZRHVWVOIHFDQOQ-LJQANCHMSA-N 366.505 5.158 0 1 FKAF CCCCCNC(=O)[C@@H](Nc1nc(-c2ccccc2C)cs1)[C@@H](C)CC 82195237 CYLHBRHQZNQAGQ-KXBFYZLASA-N 373.566 5.252 0 1 FKAF CNC1CCC(c2c[nH]c3ccc(CC(=N)c4cccs4)cc23)CC1 96177584 IVCZJNJUDXYKGE-UHFFFAOYSA-N 351.519 5.086 0 1 FKAF CC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137543154 BWZMDPHOOVIMHX-OUWYMICPSA-N 372.593 5.932 0 1 FKAF O=C1CCC[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC1 586884276 MHHNOGSYPAZRKN-QMMMGPOBSA-N 364.289 5.217 0 1 FKAF COc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1F 586997584 ZQJNCACERNOEPI-UHFFFAOYSA-N 369.395 5.569 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(OC(C)C)cc2[nH]1 587012923 VDTSMRODPUUGOF-UHFFFAOYSA-N 363.486 5.373 0 1 FKAF COc1ccc2c(c1)Cc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098758 TZKXIFPGTCOXRG-UHFFFAOYSA-N 363.416 5.334 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C)[C@H]4c1ccccc1)-c1ccccc1C2=O 587102004 YHELLPLAWLUQLR-YWZLYKJASA-N 361.444 6.004 0 1 FKAF FC(F)(F)c1cccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587232362 RFRCCJWFPSRZPA-UHFFFAOYSA-N 371.362 5.132 0 1 FKAF CC[C@H](C)C[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354099 MVHQNEPAHLUHFX-FSJXIACGSA-N 356.437 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(Cl)cc1)O2 587376951 DYQRXHXKHROWGQ-JOCHJYFZSA-N 363.844 5.140 0 1 FKAF CCCCCCc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403946 BBHADOZJSBUWLH-QHCPKHFHSA-N 351.490 5.581 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc(C)cc(C)c4)cc1)[C@@H](C2)C3=O 587445954 QLUROSTVGKCASZ-SQJMNOBHSA-N 370.448 5.468 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Cl)ccc2CC1(C)C 587463539 VPFRTHOQCXZGND-JOCHJYFZSA-N 370.876 5.441 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C(C)C)c3ccccc13)CC2=O 587477785 VCYJARXDSBHKRE-JOCHJYFZSA-N 363.457 5.587 0 1 FKAF C[C@@]1(c2ccc(Cl)nc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587503030 WCQJTUBTBCHGRF-IBGZPJMESA-N 362.256 5.148 0 1 FKAF CCCOc1c(C)cc(C)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520506 DGSUJJUASKIWMX-QFIPXVFZSA-N 364.485 5.678 0 1 FKAF CCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602625 KLXYFTSTGWFFSQ-XUZZJYLKSA-N 374.436 5.440 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2cc(Cl)cnc2[nH]1 587956955 NLCVDWZSCPAHGP-UHFFFAOYSA-N 365.905 5.530 0 1 FKAF Oc1ccc(-c2cc(-c3ccsc3)cc(-c3ccccc3Cl)n2)cc1 653735699 YBKNPZZLHXTRBC-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF COc1ccc(C[C@@H](C)[C@H]2NCCc3c(Cl)cc(Cl)cc32)cc1F 963101436 AXTFQADNGMXQRF-NSPYISDASA-N 368.279 5.207 0 1 FKAF CC1=C2C[C@H](O)[C@H](C)[C@@H]2[C@H](O)[C@]2(C)CC[C@]3(C)CCC(C)(C)C[C@@H]3[C@H]2CC1 2356528750 GPHBRZAMTODMIC-HDNQQDCISA-N 374.609 5.723 0 1 FKAF CC(=O)O[C@H](CC(C)=CCCc1ccoc1)C[C@H](C)CCCc1ccoc1 2356661545 FTIFGDQWFHYSPU-AUSIDOKSSA-N 372.505 6.122 0 1 FKAF CCCCCn1c(-c2ccco2)nc2c(NCc3ccccc3)ccnc21 2382250567 CKDOCYPZLWPFES-UHFFFAOYSA-N 360.461 5.494 0 1 FKAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NC2CCCCC2)c1 775590 ZIGKMEVGTRHMNR-UHFFFAOYSA-N 370.493 5.100 0 1 FKAF COc1ccc2cc([C@H](C)[C@H](O)c3cc(F)c(F)c(F)c3F)ccc2c1 1635372 DHLOUZZUEJCHDZ-FVINQWEUSA-N 364.338 5.242 0 1 FKAF CC(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5453785 VQSNHPSNPFDOJF-XSLNCIIRSA-N 372.637 6.999 0 1 FKAF biogenic c1ccc(CSc2nnc(Nc3ccccc3-c3ccccc3)[nH]2)cc1 14964310 ADMIGCHPABJGNF-UHFFFAOYSA-N 358.470 5.508 0 1 FKAF CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1O 26188049 XCDWCIRJYOBQKU-UHFFFAOYSA-N 365.521 5.269 0 1 FKAF CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)NC(C)C 26278631 IUGPHUFZBTZFMM-DEOSSOPVSA-N 374.446 5.691 0 1 FKAF O=C(O)/C=C/c1ccc(-c2cc(O)cc(C34CC5CC(CC(C5)C3)C4)c2)cc1 28469177 YZRXDBPFFRVVME-ZZXKWVIFSA-N 374.480 5.625 0 1 FKAF CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1 28522953 RUEHADWKPASNKW-UHFFFAOYSA-N 374.271 5.780 0 1 FKAF CC[C@@]1(c2cccc(Br)c2)ON=C(c2ccc(Cl)cc2)O1 40829578 RRQPMAFDMKJSQX-INIZCTEOSA-N 366.642 5.074 0 1 FKAF CSc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2ccccc2)cc1 49113090 WTUPPCHNDFCPDL-HSZRJFAPSA-N 358.510 6.073 0 1 FKAF O=C(c1ccc(F)cc1)c1c[nH]c(-c2ccc(OCc3ccccc3)cc2)n1 64511786 AXIMPZLELWDRQI-UHFFFAOYSA-N 372.399 5.026 0 1 FKAF Cc1cc(=O)oc2cc(SCc3cccc(OC(F)(F)F)c3)ccc12 82151193 VSIPZFHRNWQGIG-UHFFFAOYSA-N 366.360 5.292 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccsc3)c2)c1 95554934 AAZPGCPGYGKYBD-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF O=C1C[C@@H](CCc2ccccc2)Oc2c(Br)cc(Cl)cc21 95557460 HLRDZMIXYBBHQS-CYBMUJFWSA-N 365.654 5.069 0 1 FKAF c1cnc2nc(Oc3ccc4oc(CN5CCCCC5)cc4c3)sc2c1 95597911 YZXLYQYOUGYJAP-UHFFFAOYSA-N 365.458 5.216 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(OCc2ccc(F)cc2)nn1 103166776 YTERQIGMJMTOJD-UHFFFAOYSA-N 362.326 5.189 0 1 FKAF CC(C)=CCC[C@H](C)CCOC(=O)/C=C/c1ccc(Cl)cc1Cl 103193356 SNWMJHMXNWYHRU-HQPKTYMTSA-N 355.305 6.322 0 1 FKAF CC(C)(C)NC(=O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 169293810 WKJWFESSCHFAQW-DTGFYEJPSA-N 374.528 5.511 0 1 FKAF O=C1O[C@@H](c2ccc(Cl)cc2)CC(O)=C1Sc1ccccc1Cl 299841037 XMTKAMXQFCNHCT-CQSZACIVSA-N 367.253 5.543 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2ccc(Br)c(F)c2[nH]1 586884266 RRIGUZUGENJIEM-UHFFFAOYSA-N 355.210 5.593 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](c1ccccc1)CC3 586990724 FUPTVJCNZBAWKV-OAHLLOKOSA-N 363.416 5.230 0 1 FKAF c1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c(OCc2cscn2)c1 587029119 IDLXYFIVDSGRRB-UHFFFAOYSA-N 361.470 5.144 0 1 FKAF Cc1onc(-c2nc3c(Cl)cccc3[nH]2)c1COc1ccc(Cl)cc1 587076355 QWSFJAYIWYUENY-UHFFFAOYSA-N 374.227 5.412 0 1 FKAF CC(=O)c1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 587099016 YGHDLTDADRYQCS-UHFFFAOYSA-N 364.404 5.019 0 1 FKAF CC(C)Oc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587107740 VCMGSZZHBOPYML-UHFFFAOYSA-N 365.432 5.900 0 1 FKAF Cc1cc(Br)cc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c12 587151955 XCQPQIXLGCCLFZ-SECBINFHSA-N 367.193 5.052 0 1 FKAF Cc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1C 587159365 NMEDTZNHRHCDLT-UHFFFAOYSA-N 356.404 5.325 0 1 FKAF Cc1c(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587166102 MNYHNAWAIWWHPQ-UHFFFAOYSA-N 359.326 5.100 0 1 FKAF COc1ccc(C2(C(=O)c3coc4ccc(Cl)cc34)CCCCC2)cc1 587275699 DTJXFGVZGOKLGQ-UHFFFAOYSA-N 368.860 6.180 0 1 FKAF CC(C)n1nc(C(F)(F)F)cc1C(=O)c1coc2ccc(Cl)cc12 587277794 CGYKMZIJYIWXKL-UHFFFAOYSA-N 356.731 5.113 0 1 FKAF CC[C@@H]1C[C@H](C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587366930 OJRVTGCBYJWTKD-JKSUJKDBSA-N 371.480 6.733 0 1 FKAF Cc1ccc(O)c(C(=O)c2c(-c3cccc(F)c3)[nH]c3cc(F)ccc23)c1 587634669 ORXJQMGPVYSWQA-UHFFFAOYSA-N 363.363 5.358 0 1 FKAF Cc1ccccc1[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587813464 DALNHJQNPSJLPB-XCLFUZPHSA-N 374.297 5.084 0 1 FKAF CCCCC/C=C\CC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817496 CPQPTDIDXYAKJV-JCVMBZQJSA-N 368.334 6.080 0 1 FKAF CCCCCC[C@H](C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587818481 HWNSKFNFCNMVHJ-JCGVRSQUSA-N 356.323 5.770 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587950801 CVLWVMWFFYKPLA-OZVIIMIRSA-N 356.388 5.508 0 1 FKAF Cc1cc(C)c2[nH]c(CCCCCCCCCCCCC(=O)O)nc2c1 587956841 CIBSXTRGXXWFMQ-UHFFFAOYSA-N 358.526 6.098 0 1 FKAF Fc1cc(Br)c2[nH]c(/C=C/c3cccc4ccccc34)nc2c1 587967309 GVFKAMBBXITKES-CMDGGOBGSA-N 367.221 5.788 0 1 FKAF Brc1cccc(-c2cc(-c3ccc(-n4cccc4)cc3)on2)c1 653785926 PVXUEZLGLOYACQ-UHFFFAOYSA-N 365.230 5.562 0 1 FKAF Cn1cccc1CN1CCc2sccc2[C@@]12CCCC[C@@H]2c1ccoc1 962401164 VWPPRFUJHCKQJU-KNQAVFIVSA-N 366.530 5.291 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(-c3ccc(O)cc3)s2)N1 962946324 LJFGGVVGQFHUIP-WNSKOXEYSA-N 374.509 5.616 0 1 FKAF Cc1cc(C)c2cc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)[nH]c2c1 1772593352 FOWMNNSUMIYLDC-LRYXAPPNSA-N 350.506 5.119 0 1 FKAF C[C@H]1C[C@H](C(=O)Nc2nc3ccc(OC(F)F)cc3s2)CC(C)(C)C1 1857764612 ZBYCNBYEYWRADI-QWRGUYRKSA-N 368.449 5.299 0 1 FKAF COCC[C@H](CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)C(=O)OC 2356509220 IARINBYKFZKPKN-LMVRJCEZSA-N 350.543 5.391 0 1 FKAF CC1(C)CCC[C@]2(C)Oc3cc(C=Cc4ccc(O)cc4)cc(O)c3C[C@H]12 2356672552 NVDNWXIJCXLGEI-VWNXMTODSA-N 364.485 5.788 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5COC(=O)[C@@H]54)C3=CC[C@@H]12 2356796013 MSEJIVNGRHWOTL-WLZGJCBXSA-N 354.534 5.685 0 1 FKAF Cc1ccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 5588722 VBKYYNSGKWVHQN-UHFFFAOYSA-N 352.652 5.509 0 1 FKAF C[C@]12CCC=C[C@H]1[C@@H](c1ccc3ccccc3c1)N(Cc1ccccc1)C2=O 13830431 DLLSCTDMHJGMPP-GSLIJJQTSA-N 367.492 5.896 0 1 FKAF CC1=C(CCN2CCN(C/C=C/c3ccccc3)CC2)C(C)(C)CCC1 19609045 FXELFCFVLYRCGM-XYOKQWHBSA-N 352.566 5.234 0 1 FKAF CC(C)c1ccc([C@H](Sc2ccccc2)c2ccccc2)c(O)c(=O)c1 25979627 SYDZALAMYVWKAV-HSZRJFAPSA-N 362.494 5.758 0 1 FKAF CC1=CC[C@H]2[C@@H](C1)c1c(O)cc([C@H](C)[C@H](C)C3CCCC3)cc1OC2(C)C 26667384 USDMFBBEDJJVQK-NLEAXPPASA-N 368.561 6.933 0 1 FKAF CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1cc(Cl)ccc1S2 29330198 WOHMPUKKGWWWPQ-UHFFFAOYSA-N 360.910 5.097 0 1 FKAF C[C@H](NC(=O)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1)c1ccccc1 45260991 FKLXGULHDQPQHY-PWIZWCRZSA-N 360.457 5.103 0 1 FKAF CC(C)Sc1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1 45322611 PEMJBGWIXSBYQD-FOIQADDNSA-N 363.954 5.095 0 1 FKAF c1ccc(-c2ccc(Oc3ccc(OC[C@@H]4CCCCN4)cc3)cc2)cc1 49088401 OFUKQKWKCUIKLJ-NRFANRHFSA-N 359.469 5.667 0 1 FKAF C/C=C/C=C/C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1 64553844 CPKNZNHZSRMQEX-MQQKCMAXSA-N 364.228 5.562 0 1 FKAF O=C(NC1CCCCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 66073989 CMGSPERGYLNBBU-UHFFFAOYSA-N 372.774 5.076 0 1 FKAF CCOc1ccccc1-c1nc(CN[C@@H](C)c2cccc3ccccc23)co1 72186067 OIRGFQNNSBDGPR-KRWDZBQOSA-N 372.468 5.744 0 1 FKAF CC(C)(C)c1cc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)no1 73159438 DHPYZWMGBCEGSH-OAHLLOKOSA-N 371.289 5.058 0 1 FKAF c1cncc(CNc2cc(Oc3ccc4oc5ccccc5c4c3)ncn2)c1 82068269 LMISEFAFNRNLFC-UHFFFAOYSA-N 368.396 5.175 0 1 FKAF C/C(=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1ccoc1)CO 169310082 IJBINHIJZCSLSK-FBSCTTCDSA-N 370.577 7.330 0 1 FKAF COc1cccc2c(NCc3ccccc3)nc([C@@H](C)c3ccccc3)nc12 219017008 KSGXSQYGCWPDRN-KRWDZBQOSA-N 369.468 5.402 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(F)cccc4[nH]3)cc2)CC1 586879833 ILKCKZKBIQBGIO-QAQDUYKDSA-N 350.481 6.833 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(C)nc(C)cc3[nH]2)c1 586882371 PDIGWLAAIDRULD-UHFFFAOYSA-N 355.441 5.090 0 1 FKAF FC(F)(F)c1cnc2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2c1 587055064 QTJKVOFCVHIOFP-PLNGDYQASA-N 358.150 5.454 0 1 FKAF Cc1ccc2c3c(cc([C@H](C)C4CCCCC4)nc13)-c1ccccc1C2=O 587099639 QGKXLDRJTMRKRM-MRXNPFEDSA-N 355.481 6.438 0 1 FKAF COc1ccsc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587103294 VSDOYKBYIBBOIN-UHFFFAOYSA-N 357.434 5.492 0 1 FKAF O=C1c2ccccc2-c2cc(CCc3c(F)cccc3F)nc3cccc1c23 587103648 MLZPITGLYYFWRW-UHFFFAOYSA-N 371.386 5.510 0 1 FKAF O=C1c2ccccc2-c2c(Cc3cccc4ccncc34)cnc3cccc1c23 587106798 MZEUWBBTRHKUBU-UHFFFAOYSA-N 372.427 5.585 0 1 FKAF CCc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587157752 CBWOHJZBWBGWNW-UHFFFAOYSA-N 356.404 5.270 0 1 FKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(C(C)(C)C)cc2[nH]1)C(C)(C)C 587206624 XDLXABXCSUAHIE-KRWDZBQOSA-N 373.541 5.342 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccc(C)o3)s1)CC2=O 587492663 BFYIDJHNTPBAQA-QGZVFWFLSA-N 369.442 5.076 0 1 FKAF Cc1cccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587511101 DLACKPKAXXXMPO-DEOSSOPVSA-N 371.480 5.679 0 1 FKAF Cc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587521068 ADCSCJLCHBCOOF-VWLOTQADSA-N 371.480 5.552 0 1 FKAF Cc1ccc2oc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 587614993 FCQRMRODHVZQTH-NZQKXSOJSA-N 372.376 5.150 0 1 FKAF CC(C)Cc1[nH]c2c(C(=O)O)cccc2c1-c1ccc(Cl)cc1Cl 587638576 NUNDEOYBWSAYME-UHFFFAOYSA-N 362.256 6.038 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 587780178 MUGCZANAJSIVOM-UHFFFAOYSA-N 368.480 6.174 0 1 FKAF Cc1cc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2[nH]1 587801961 IZYVJDRQQFVLGJ-WLRWDXFRSA-N 373.269 5.002 0 1 FKAF Cc1ccc(C)c(C[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587820727 QJAWODCLMBKUFX-GUYCJALGSA-N 362.286 5.023 0 1 FKAF Fc1ccc2c(c1)-c1cc(n(-c3ccc(C(F)(F)F)cc3Cl)n1)O2 587873521 CMZJHQICPLGJNO-UHFFFAOYSA-N 354.690 5.456 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc(C)c(Cl)cc4[nH]3)ccc2c1 587936653 XNXIYTWEKNYIEI-CYBMUJFWSA-N 350.849 5.838 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(F)cc(Br)c2[nH]1 587953003 YWIVOTDLNQRDCH-NVBFEUDRSA-N 369.278 5.511 0 1 FKAF Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1-c1ccc2c[nH]nc2c1 1857545221 UEMCXDRGXXMDCL-UHFFFAOYSA-N 369.468 5.914 0 1 FKAF Cc1ccccc1CO[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 1857642422 UVNCKBGWCASRKR-LJQANCHMSA-N 361.272 5.456 0 1 FKAF CC(C)C1=C[C@@H]2[C@](C)(OC(=O)C=Cc3ccccc3)CC[C@H](O)[C@]2(C)CC1 2356560885 IHVHEWJJIVUKSI-NEUULRRLSA-N 368.517 5.155 0 1 FKAF CC1=CCCC(C(=O)O)=C[C@@H](OC(=O)c2ccccc2)C(C)(C)CCC1 2356568009 DFMUJBWKZFLLCY-LJQANCHMSA-N 356.462 5.160 0 1 FKAF Cc1csc(CNc2ncnc3ccc(-c4cccc(Cl)c4)cc23)c1 36380628 MRGPYRGJWBZMDE-UHFFFAOYSA-N 365.889 5.932 0 3 FKAF O=P(NC1CCCCCCC1)(Oc1ccccc1)Oc1ccccc1 6115996 BWATZXOKZTWXTQ-UHFFFAOYSA-N 359.406 5.955 0 1 FKAF biogenic CN1Cc2ccccc2[C@@H](Cc2ccccc2)N=C1CCc1ccccc1 13600291 GKBWEFQSKYELDR-XMMPIXPASA-N 354.497 5.447 0 1 FKAF Cc1cc(O)c2c(c1)O[C@](C)(CC[C@@H]1[C@@H](C(=O)O)CCCC1(C)C)C=C2 14708669 JXSPLJWXHJTYIW-JIGPKXGUSA-N 358.478 5.172 0 1 FKAF biogenic COc1cc2c(cc1OCc1ccccc1)CCN(C)[C@H]2Cc1ccccc1 29313488 MNYDYTBKWLQSFM-QHCPKHFHSA-N 373.496 5.046 0 1 FKAF CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(F)c2)[nH]1 40972476 KLOOFNADZQKJDI-UHFFFAOYSA-N 353.344 5.019 0 1 FKAF Cc1ccc2cc(-c3n[nH]c4cc(NC(=O)c5ccccc5)ccc34)[nH]c2c1 66073696 KKMQPVLYRUZCTF-UHFFFAOYSA-N 366.424 5.272 0 1 FKAF CSc1ccc(-c2cc([C@@H](C)C(=O)O)ccc2C[C@H]2CCCC2=O)cc1 72104568 DTRGKAXVIJTRPB-RDTXWAMCSA-N 368.498 5.175 0 1 FKAF Cc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccccc2)oc1C 82162539 KEAMIPMNIKYWKF-KUHUBIRLSA-N 362.477 5.406 0 1 FKAF CC(C)Cc1cn(-c2nc(CN3CCCC3)cs2)c2cc(Cl)ccc12 84730301 GOFRLRBJHGKTMZ-UHFFFAOYSA-N 373.953 5.535 0 1 FKAF O=C(O)c1[nH]c2ccccc2c1CCCOc1cccc(-c2ccccc2)c1 95597124 YQMRSDVXHLCEEI-UHFFFAOYSA-N 371.436 5.545 0 1 FKAF CN1[C@H]2CC[C@@H]1C[C@@H](O[C@H](c1ccc(F)cc1)c1cccc(Cl)c1)C2 100834455 ISSICWWQXUMDRL-PLACYPQZSA-N 359.872 5.210 0 1 FKAF O=c1cc(-c2ccc(Cl)cc2)oc2ccc(CN3CCCCC3)cc12 103217746 JCIJAGWHCYZUBW-UHFFFAOYSA-N 353.849 5.099 0 1 FKAF CCCCC[C@@H]1Cc2c(cc3c(c2O)C2=C(CC[C@@H](C)C2)C(C)(C)O3)[C@@H]1C 169344327 OULDIDDGYPPUQU-BRWVUGGUSA-N 368.561 6.993 0 1 FKAF O=C1[C@@H]2[C@H](c3ccccc3)CC=C[C@H]2[C@@H](c2ccoc2)N1Cc1ccccc1 254012021 KSYOIXDDZBOZLY-OLKYXYMISA-N 369.464 5.339 0 1 FKAF Cc1cc(C)cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586990700 FESHODGANSSXJE-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF Cc1ccc2c3c(cc(-c4c(O)cccc4F)nc13)-c1ccccc1C2=O 586995476 LDHLCNCNHMFAOQ-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF Oc1ccc2scc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2c1 587031887 BSUJZPRUPCMCFU-UHFFFAOYSA-N 368.767 5.822 0 1 FKAF CCc1c(-c2ccsc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587102063 OJQHDIJLQCKLST-UHFFFAOYSA-N 355.462 6.046 0 1 FKAF Fc1c(F)c(F)c(/C=C/c2nc3cc(Cl)cc(F)c3[nH]2)c(F)c1F 587134605 NWIUARMRDOSLMY-OWOJBTEDSA-N 362.660 5.221 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(Cl)c2)cc1F 587145117 IEPJKLTWHQAEKR-UHFFFAOYSA-N 364.851 6.615 0 1 FKAF Cc1cnc2[nH]c(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)nc2c1 587147514 RGICZBCJCFBOIC-UHFFFAOYSA-N 351.812 5.701 0 1 FKAF Cc1c(Br)ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587150393 DBQKGOPPYPGQJE-QWRGUYRKSA-N 363.205 5.183 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587161490 OMHNGNCWTIFPPT-NWDGAFQWSA-N 365.633 5.389 0 1 FKAF COc1cccc(-c2cc(-c3ccc(F)nc3)nc3c2oc2ccccc23)c1 587360660 QZELHZDRBAAHKU-UHFFFAOYSA-N 370.383 5.858 0 1 FKAF COc1cccc(-c2c(CCC(C)C)c(C)nc3c2oc2ccccc23)c1 587364540 DFOBWNHFZNLTFY-UHFFFAOYSA-N 359.469 6.554 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](OC)CC3)c1 587366065 PZBZUJZMOWLLLF-MRXNPFEDSA-N 359.425 5.160 0 1 FKAF C[C@@]1(Cc2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506429 JMEGQCOFGUXNGN-OAQYLSRUSA-N 374.402 5.551 0 1 FKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(F)F 587508967 UOMIUCQWLVFWJL-LJQANCHMSA-N 358.384 5.182 0 1 FKAF O=C1C[C@H](c2ccc([C@@H]3CCCCO3)s2)Oc2c1ccc1c2CCCC1 587532778 SOOFNEVHYOMOTR-RBUKOAKNSA-N 368.498 5.575 0 1 FKAF CCC[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620583 ZTJZLBPTSWMXPI-GHTZIAJQSA-N 366.438 5.111 0 1 FKAF CCOC(=O)Cc1[nH]c2ccc([C@@H](C)CC)cc2c1-c1cccc(F)c1 587643578 VSPKJKXRVSGMND-AWEZNQCLSA-N 353.437 5.593 0 1 FKAF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587696707 RFXIFZTUBKYOMV-BMLIUANNSA-N 368.677 5.174 0 1 FKAF COc1ccc(C2(c3nc4cc5ccccc5cc4[nH]3)CC3(CCC3)C2)cc1 587935476 LSXXMAZNTAEIEG-UHFFFAOYSA-N 368.480 5.975 0 1 FKAF Cc1ccc([C@@H]2[C@H]3C(=NN2C)c2ccccc2O[C@@H]3c2ccccc2)cc1 653884782 XXNJTPCDXLNPIE-GMKZXUHWSA-N 354.453 5.136 0 1 FKAF CCN(C/C=C/c1ccc(C(F)(F)F)cc1)CC1=CO[C@@H]2C=CC=C[C@H]12 1772581127 KEBGVFJLDWAFAY-BGEOSOQGSA-N 361.407 5.065 0 1 FKAF Oc1c(Cl)cc(Cl)c2ccc(-c3cc4cc5c(cc4[nH]3)OCO5)nc12 1857637263 NQMGMBSLQZPBRY-UHFFFAOYSA-N 373.195 5.124 0 1 FKAF CCCCCC[C@H](O)CC=CCCCCCCCc1cc(O)cc(O)c1 2356420158 QKJHTDPOTJRZOH-NRFANRHFSA-N 362.554 6.259 0 1 FKAF CCCCCc1c(CC=C(C)CCC=C(C)C)c(O)cc(O)c1OC(C)=O 2356467148 DZLSXQDQGMAPKJ-UHFFFAOYSA-N 374.521 5.991 0 1 FKAF Cc1nc(CCCCCCCC(=O)c2ccccc2)n2nc(Cl)ccc12 5891758 LUZTZWZALDFPQR-UHFFFAOYSA-N 369.896 5.457 0 1 FKAF Clc1ccc([C@@H](c2c[nH]cc2-c2ccccc2Cl)n2ccnc2)cc1 5974404 RLRHBWNNGBDKCM-FQEVSTJZSA-N 368.267 5.823 0 1 FKAF CCC[C@]1(c2ccccc2)CC(=O)[C@@H]([C@@H](CC)c2ccccc2)C(=O)O1 18177637 NVJXNSJZXFPQQY-XKCSPQBFSA-N 350.458 5.008 0 1 FKAF CC(C)(C)c1ccc(SCCCC[C@@H](CN)c2ccc(F)cc2)cc1 27765212 BDZDUXIRXCUNFJ-SFHVURJKSA-N 359.554 6.128 0 1 FKAF CC(=O)c1cccc(Nc2nccc3c2cc(-c2cccc(F)c2)n3C)c1 74386818 FMPYAHCTUSNQCC-UHFFFAOYSA-N 359.404 5.326 0 1 FKAF Cc1cc2ncc(-c3ccc(OCc4ccccc4)c(O)c3)nc2cc1C 218290866 DAIWLKSJIGCCNJ-UHFFFAOYSA-N 356.425 5.198 0 1 FKAF c1ccc(COc2ccc3nc([C@@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586883445 JSYWQLMPKKLNRF-YYTKYJTOSA-N 358.485 5.610 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)cc1 586898080 LCBHCKZJXQGNGE-UHFFFAOYSA-N 358.294 5.159 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2c1 587074443 XXNIOUDXXQANCV-UHFFFAOYSA-N 368.761 5.649 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1c[nH]cc1CCC4)-c1ccccc1C2=O 587096376 IYDUHOMINYJBTJ-UHFFFAOYSA-N 350.421 5.238 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](c1ccccc1)C3 587208284 URMVEXJACFQVRH-QGZVFWFLSA-N 361.444 5.719 0 1 FKAF CC[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349633 GHTBFOQDCVASHU-UPKQVVFYSA-N 354.421 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(C(F)(F)F)c1)CC2=O 587463637 ZDRBSDXOVSFCTK-KRWDZBQOSA-N 368.326 5.209 0 1 FKAF O=C1C[C@@H](c2ccc(F)c(N3CCCC3)c2)Oc2c1ccc1c2CCCC1 587506923 QVPLOTVEVASVTE-QFIPXVFZSA-N 365.448 5.011 0 1 FKAF Cc1ccccc1[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587532674 RTYBDMAYOWJSKC-DEOSSOPVSA-N 374.505 5.844 0 1 FKAF CCc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(CC)c1O 587532743 NNTMFVMQJNCKAT-OAQYLSRUSA-N 350.458 5.102 0 1 FKAF CC(C)C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599318 FFVMXEODLZVXAD-AVRDEDQJSA-N 354.446 5.185 0 1 FKAF CC/C=C\CCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817494 CPPGGYVVUCDNLB-YXVLKGNQSA-N 368.334 6.080 0 1 FKAF CC(C)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587821180 SVUVDKKTNMALLV-BLVKFPJESA-N 362.286 5.335 0 1 FKAF CSc1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)cc1 653864136 JZINJWLBAIWSEU-LFIBNONCSA-N 370.477 5.278 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CCSc2ccccc2)N1 962950627 RXUQCXTZNSUWHH-KSFYIVLOSA-N 350.531 5.490 0 1 FKAF COc1ccc2nc3c(-c4ccccn4)n(Cc4ccccc4)ccc-3c2c1 1857560047 QRLBIJYWGRLEMJ-UHFFFAOYSA-N 365.436 5.260 0 1 FKAF CC[P@](=O)(OC)c1cccc2oc(-c3ccc4ccccc4c3)nc12 1911586035 LUFCKYJUTLQOMM-VWLOTQADSA-N 351.342 5.218 0 1 FKAF CCCCCc1cc(O)cc(C[C@@H]2CCC[C@H]([C@]3(C)C=CC[C@H](C)C3)C2)c1 2356371577 LVMUEERNEAZUSV-SONSGTBOSA-N 368.605 7.466 0 1 FKAF CC(C)=CCC=C(C)[C@@H]1CC=C(C(=O)O)CCC=C(C)CCC=C(C)CC1 2356480018 MQBDHUKRLXQNQC-QHCPKHFHSA-N 370.577 7.553 0 1 FKAF O[C@H](c1ccc(F)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 61927940 IXCZDEBCUXWWMQ-OAHLLOKOSA-N 371.330 5.189 0 3 FKAF Cc1cccc(Cl)c1NC(=O)[C@@H](Nc1ccccc1)c1ccccc1F 206049790 WNJQZLOXLAVQGU-FQEVSTJZSA-N 368.839 5.579 0 3 FKAF Clc1ccc(Cl)c(-c2cc(Cl)cc3c2N2CCNCC[C@H]2C3)c1 13535530 DLYJFSUJZUIZRA-AWEZNQCLSA-N 367.707 5.038 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC[C@H]1n1cncn1 13586646 DKCNCYZDFCXFMT-FQOPZOEXSA-N 367.493 5.045 0 1 FKAF CC(/C=C/[C@@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O 13863240 BOOOLEGQBVUTKC-KGEJIZRYSA-N 352.518 5.900 0 1 FKAF in-vitro O[C@@H]1CCCc2nc3ccccc3c(NCc3ccc(C(F)(F)F)cc3)c21 14946515 OWMWWMZMOLIDRD-GOSISDBHSA-N 372.390 5.235 0 1 FKAF CCCOc1ccc2cc(-c3ccccc3)c(SCCN(C)C)nc2c1 26293098 ZXWIPYVIUIMBGT-UHFFFAOYSA-N 366.530 5.344 0 1 FKAF CCCCCC[C@@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708108 VSTFKYJXYVRGDG-QHCPKHFHSA-N 351.534 5.682 0 1 FKAF in-vivo CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(C(N)=O)c1 28822154 LNMXFLRYDCKUKI-UHFFFAOYSA-N 351.534 6.317 0 1 FKAF c1ccc(CSc2nnc(-c3ccsc3)n2Cc2ccccc2)cc1 28976664 RMYLPUZYRQDIKV-UHFFFAOYSA-N 363.511 5.347 0 1 FKAF CC[C@H](C)CCCCCCCCCCCCc1cccc(O)c1C(=O)O 29217763 HTRXHLGQLRRIRG-IBGZPJMESA-N 362.554 6.970 0 1 FKAF COc1ccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1OC 72109951 RXRNRRDRMFLJER-QHCPKHFHSA-N 369.505 5.033 0 1 FKAF Cc1cnc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccccc2F)o1 82175190 GLLKEIBPACLBET-ACJLOTCBSA-N 366.440 5.237 0 1 FKAF Cc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)nc3ccccc23)cc1 139437366 ORZNQMRZCHOXIM-NRFANRHFSA-N 363.457 5.459 0 1 FKAF COc1cc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1F 587014740 PNBSRIYDABKNON-UHFFFAOYSA-N 373.840 5.463 0 1 FKAF Oc1ccc2scc(-c3nc4ccc(F)c(Br)c4[nH]3)c2c1 587032733 OEGQZHKQQWGADU-UHFFFAOYSA-N 363.211 5.052 0 1 FKAF Cc1cnc(Cl)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc12 587048714 JROYGGLLSCGAFF-IUCAKERBSA-N 352.652 5.498 0 1 FKAF CCCCc1c(C(C)(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099926 XVHRJHMQPOYTRU-UHFFFAOYSA-N 357.497 6.395 0 1 FKAF CC/C=C/CCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587101944 XONSGEJLDKCBSG-SNAWJCMRSA-N 355.481 6.434 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)c1ccc(Cl)cc1)CC2=O 587463923 ZVMAYZZBOFTPQH-ASSNKEHSSA-N 358.865 5.526 0 1 FKAF O=C1C[C@@H](Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587504094 IGIJKQHMHRSIOO-CQSZACIVSA-N 361.268 5.449 0 1 FKAF O=C1C[C@@H](c2cc(-c3cccs3)cs2)Oc2c1ccc1c2CCCC1 587533595 XYYRPKZQVDVUAV-SFHVURJKSA-N 366.507 6.062 0 1 FKAF O=C1C[C@H](c2cc(O)c3ccsc3c2)Oc2c1ccc1c2CCCC1 587534036 AKALKIGXMKDIIM-LJQANCHMSA-N 350.439 5.192 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C[C@H]1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604322 SQDPVDHSIPSITM-UOQCWDFBSA-N 366.457 5.185 0 1 FKAF COc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C)cc(Cl)cc23)cc1 587624660 QTNVLFKKSLBWIZ-UHFFFAOYSA-N 367.754 5.388 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(OC)c3)c(CC(=O)O)c2c1 587641573 MQUFYDRMOPUXCV-GFCCVEGCSA-N 371.864 5.638 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2Cl)N1 587723302 WQGKCGVLEUAJOI-VPTHRUTESA-N 372.640 5.004 0 1 FKAF Cc1ccc([C@@H]2[C@H]3C(=NN2C)c2ccccc2O[C@H]3c2ccccc2)cc1 653884783 XXNJTPCDXLNPIE-JRFVFWCSSA-N 354.453 5.136 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccnc2-c2ccsc2)N1 962953179 KQDWFSPPMZXYBY-YCRPNKLZSA-N 359.498 5.305 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1ccc(-c2nccs2)cc1 963096323 DISOCDZVVQLBRI-ICSRJNTNSA-N 350.462 5.059 0 1 FKAF CCC=C[C@H](CC)CC(=C[C@@](O)(CC)C[C@@](O)(C=CC(=O)O)CC)CC 2356399963 LSVMTGUPGAJFCN-NYVOZVTQSA-N 366.542 5.018 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)C3=CC[C@@]21C 2356686871 WNMPECVUVQDPTP-BWHKCUMFSA-N 366.589 6.615 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 2356803863 XMOYAJSUUCZZLU-ZAUJRVAVSA-N 356.506 5.365 0 1 FKAF Cc1ccc2nc(CSc3nc(C)nc4c3oc3ccccc34)[nH]c2c1 36380922 SJLQHEUJSJJCDS-UHFFFAOYSA-N 360.442 5.161 0 3 FKAF CCOP(=O)(OCC)[C@@H](Nc1ccc(Cl)cc1)c1ccc(F)cc1 5839134 DHXFWTGNJAEWPY-QGZVFWFLSA-N 371.776 5.856 0 1 FKAF O=[N+]([O-])c1ccccc1/C=C/c1ccc2c(Cl)cc(Cl)c(O)c2n1 6338992 UDVIYYHFXULICV-AATRIKPKSA-N 361.184 5.326 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1O 13441092 YHYMRUYFZKGUMS-UHFFFAOYSA-N 355.522 5.926 0 1 FKAF Cc1c(C(=O)c2ccc(F)c(F)c2)oc2cc(-c3ccccc3)cc(O)c12 27521799 ZIMFOIHYGVMUFC-UHFFFAOYSA-N 364.347 5.623 0 1 FKAF CCC(=O)c1ccc2c(c1)[C@@H](CCCN(C)C)c1cc(Cl)ccc1S2 27741861 QYEGBNZWFCEXLR-MRXNPFEDSA-N 373.949 5.871 0 1 FKAF Cc1ccc(OC(=O)c2ccccc2)c(C(=O)c2ccc(Cl)cc2)c1 28713810 RJDHTPWKZMOGPD-UHFFFAOYSA-N 350.801 5.099 0 1 FKAF Fc1ccc(Oc2cc(NCc3ccc(C(F)(F)F)cc3)ncn2)cc1 34044392 WGUCUDDJCJARBT-UHFFFAOYSA-N 363.314 5.039 0 1 FKAF CC[C@]1(C=C(C)C(=O)O)[C@H](c2ccccc2)C=C(C)[C@@H]2[C@H](C)C[C@H](C)[C@H]21 34647531 NZZHSJZMHIQBPW-WICQVYBRSA-N 352.518 6.066 0 1 FKAF biogenic O[C@@H]1c2ccccc2CC[C@@]1(Cc1ccccc1)C1=Cc2ccccc2C1 71341857 OJQJHFSPUMBXJM-CLJLJLNGSA-N 352.477 5.535 0 1 FKAF CCOc1ccc2ccccc2c1C(=O)Oc1cccc2oc(C3CC3)cc12 96922090 LHUADCFNYGRWHH-UHFFFAOYSA-N 372.420 6.081 0 1 FKAF Cc1ccc(N(Cc2ccc(Cl)cc2)Cc2nc3ccccc3[nH]2)cc1 96922634 PULQSENKILMCBM-UHFFFAOYSA-N 361.876 5.732 0 1 FKAF COc1cc2c(cc1[C@@H](C)OC/C=C/c1ccccc1)C=CC(C)(C)O2 96932034 WCUJEGHLDNDLPJ-VGMNTSGFSA-N 350.458 5.670 0 1 FKAF Cc1ccc(Nc2ccc(-c3cccc(C(F)(F)F)c3)nc2)c(C(=O)O)c1 113898317 BQLVBLBIXTYOHY-UHFFFAOYSA-N 372.346 5.518 0 1 FKAF CN1CCC(=C2c3ccccc3C3=C(c4ccccc42)[C@@]2(C)C=C[C@H]3O2)CC1 138392176 MICMGHGNPBNDPD-ATIYNZHBSA-N 367.492 5.166 0 1 FKAF O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1CSCC1CCCCC1 169359595 NWFGCXFIIAQPKD-HPBXAODGSA-N 366.567 5.295 0 1 FKAF 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 255208984 FEGCPHIPSRBREU-NLMRYVEQSA-N 374.565 5.283 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2c(Cl)cnc(Cl)c2[nH]1 586878197 DSKNBXWWEHLSPF-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF COc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(C(F)(F)F)c1 587095576 LLDMQNOCOSMQRZ-UHFFFAOYSA-N 360.257 5.276 0 1 FKAF Fc1ccc(/C=C\c2nc3cccc(OCc4ccccc4)c3[nH]2)c(F)c1 587150725 OQHAYQNWHPYPEZ-BENRWUELSA-N 362.379 5.591 0 1 FKAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587151572 RRAVGXSQVLFAFH-CYBMUJFWSA-N 366.367 5.773 0 1 FKAF c1ccc(CNc2ncccc2-c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587229307 DSAZZBREACXABL-UHFFFAOYSA-N 354.457 5.116 0 1 FKAF CC(C)Oc1ccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2c1 587242026 LOUFDAKOZBRLSE-UHFFFAOYSA-N 365.477 5.392 0 1 FKAF O=C(OCc1ccccc1C(=O)c1coc2ccccc12)c1ccccc1 587280633 OFEYLJHXDIUTMK-UHFFFAOYSA-N 356.377 5.021 0 1 FKAF CC[C@@]1(c2ccc(C)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359840 ZZFJXFCXGNOJFK-IRLDBZIGSA-N 366.388 5.097 0 1 FKAF CC[C@@H]1CC[C@@H](C)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587365939 JRFQAIZYXCILSP-HZPDHXFCSA-N 371.480 7.048 0 1 FKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(C)cc1C)[C@@H](C2)C3=O 587445541 KYJYZHSAAWMQRJ-SQJMNOBHSA-N 370.448 5.003 0 1 FKAF CCOc1c(Cl)cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498350 NFVATTSIKHGRLH-LJQANCHMSA-N 356.849 5.324 0 1 FKAF C[C@]1(c2cccc(Cl)c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587506726 OJQQSYUCGUTGNR-HXUWFJFHSA-N 361.268 5.753 0 1 FKAF CSc1ccc([C@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531541 HMSPAYWYEVPUDR-HSZRJFAPSA-N 366.526 5.804 0 1 FKAF C[C@H](C1CCCCC1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598941 CLSRNHXSEBBMHQ-ZNRXUEPQSA-N 366.457 5.329 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccccc3)c(C(F)(F)Br)[nH]c12 587623856 ADTUJTQGWPMIBW-UHFFFAOYSA-N 370.624 6.241 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)c3ccc(Cl)cc3)c(C(F)F)[nH]c12 587624413 LHIXLNBGRDMFAO-UHFFFAOYSA-N 354.183 5.952 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(Br)cc1 587628398 OBOIIHHROFRXBM-UHFFFAOYSA-N 366.617 5.262 0 1 FKAF COC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2cc(Cl)c(F)cc12 587630520 JNFJCJUXPFEZCS-UHFFFAOYSA-N 363.791 5.262 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(-c3cccnc3)c2c1 587644367 WMNSIKJCNFEADG-INIZCTEOSA-N 356.469 6.419 0 1 FKAF Cc1cc(C)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587813378 BWMIHWWRTGBVGI-YJYMSZOUSA-N 362.286 5.003 0 1 FKAF CC(C)[C@]1(C)CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587819168 GYNGHYMVXWJTBT-PJSAGSTRSA-N 354.307 5.164 0 1 FKAF CC[C@H](C)[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587823397 PRUTWCKPYNAAFS-VODUFIJXSA-N 368.334 5.554 0 1 FKAF Fc1ccc(-c2csc(COc3cccc(C(F)(F)F)c3)n2)cc1F 587922169 KJUOGBMCCDFJKO-UHFFFAOYSA-N 371.330 5.686 0 1 FKAF CC[C@H](OC(=O)c1ccccc1)c1nc(-c2ccc(SC)cc2)cs1 587925125 OMMQKAXBGRSSOY-SFHVURJKSA-N 369.511 5.840 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 587952770 XBSMOKMKXNVTKM-FFSVYQOJSA-N 364.873 5.049 0 1 FKAF Clc1cnc(Cl)c2[nH]c(Cc3ccccc3-c3ccccc3)nc12 587959249 OMWCPGCQWKGXOR-UHFFFAOYSA-N 354.240 5.523 0 1 FKAF Cc1cc(C)cc(CC[C@]2(C3CCCC3)NCCc3ccc(F)c(C)c32)c1 962149532 WWRHOZMUFWNGPP-RUZDIDTESA-N 365.536 5.915 0 1 FKAF COc1ccc2c(c1)[C@](CC1CC1)(c1ccc(Cl)cc1)N[C@H]1CC[C@@H]21 962997685 SANUINUROFFKFS-BVSLBCMMSA-N 353.893 5.242 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(OC2CCCCC2)nc1 963230853 BEFWESQXXJBGRI-UUOWRZLLSA-N 364.533 5.539 0 1 FKAF FC(F)(F)c1cc(Oc2ccccn2)ccc1-c1cccc2nccn12 1857569703 MVFGTOOHPKYDMF-UHFFFAOYSA-N 355.319 5.207 0 1 FKAF CCOC[C@]1(C)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@H]1C3 2356367277 ZTRZDZWICICOGN-KIEPGZPZSA-N 362.554 5.527 0 1 FKAF Cc1ccc([C@@]2(C)CCC(=CBr)[C@@H]2C)cc1Br 2356802058 QZOZKGBLDKKGGO-NHYWBVRUSA-N 358.117 5.724 0 1 FKAF c1ccc(Cc2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)cc1 2382252189 JOZUGIHTSIWTIK-UHFFFAOYSA-N 351.409 5.476 0 1 FKAF CC(C)=CCC/C(C)=C\CC[C@H](C)N1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1 13756358 CKIQSCJROIUFAT-KZGCOVSASA-N 373.625 6.277 0 1 FKAF O=C(CCCCCCCOc1ccc(-c2ccccc2)cc1)C(F)(F)F 13860594 SJSZPXVUCDJGAB-UHFFFAOYSA-N 364.407 6.204 0 1 FKAF in-vivo COc1cc(OC)c2c(c1CC=C(C)C)O[C@@](OC)(c1ccccc1)CC2 14721587 FNZKAXPXZXWCFJ-HSZRJFAPSA-N 368.473 5.037 0 1 FKAF biogenic CC/C=C\C/C=C\C/C=C/C/C=C\C/C=C\C/C=C\CCC(=O)OCC 15122323 ITNKVODZACVXDS-SCBOYSNBSA-N 356.550 7.027 0 1 FKAF in-man C[C@H]1[C@@H]2Cc3ccc(N(C)Cc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 29548653 OHQXZYAOUKKRAK-CNVLFFCLSA-N 374.572 5.257 0 1 FKAF C=CC(=O)Nc1ccc2ncnc(Nc3ccc(-c4ccccc4)cc3)c2c1 34490524 YIBHNWMURVCPKH-UHFFFAOYSA-N 366.424 5.165 0 1 FKAF CO[C@@H](CC(=O)Cc1cccc2ccccc12)Cc1cccc2ccccc12 40411484 JQBVQZFTILFGQU-XMMPIXPASA-N 368.476 5.752 0 1 FKAF CCC(CC)c1nc2c(NCc3cccs3)ncnc2n1C[C@@H](C)CC 82178909 MNJAVBCPFXKORI-AWEZNQCLSA-N 371.554 5.450 0 1 FKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc(C)c(C)c2c1-c1ccc(C)cc1 113125293 DIWMRYVVECNBIS-QGZVFWFLSA-N 367.514 6.165 0 1 FKAF C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H]1CC[C@](C)(Sc1ccccc1)[C@@H]2O 169334089 PHSSBJXUSNSDRM-TWUVWWFLSA-N 357.519 5.084 0 1 FKAF Cc1ccc(-c2cc(Nc3nnc(-c4ccc(C)cc4)s3)cs2)cc1 169350785 STHOZNJECCTTJQ-UHFFFAOYSA-N 363.511 6.294 0 1 FKAF CCOCCN[C@H](CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1 219073307 QSUKSSQKIZAJGP-GOSISDBHSA-N 358.353 5.456 0 1 FKAF CC(C)(C)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587060373 DLAZXVHQAFJTGU-UHFFFAOYSA-N 351.837 5.836 0 1 FKAF COc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587063785 XDXOQJXHVGNGMJ-UHFFFAOYSA-N 364.832 5.471 0 1 FKAF Cc1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587072386 ZWMZTXYULTURKH-XYOKQWHBSA-N 374.871 6.274 0 1 FKAF Cc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1C 587095457 ZPZYYZPJOGCMAB-UHFFFAOYSA-N 358.285 5.884 0 1 FKAF COc1c(F)cccc1Cc1cnc2cccc3c2c1-c1ccccc1C3=O 587103676 MYHCNNQVTRCIGS-UHFFFAOYSA-N 369.395 5.185 0 1 FKAF Cc1c(-c2ccc(O)c(F)c2)nc2cccc3c2c1-c1ccccc1C3=O 587104012 PSTGSRHRBPHTOY-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF FC(F)(F)Sc1ccc(/C=C\c2nc3cnc4ccccc4c3[nH]2)cc1 587124091 IEMIWEDXSCCRCZ-YFHOEESVSA-N 371.387 5.893 0 1 FKAF CC(C)[C@@H](c1nc2cccc(Cl)c2[nH]1)N(C)C(=O)OCc1ccccc1 587197581 ITVGZIRCFIXIAM-SFHVURJKSA-N 371.868 5.182 0 1 FKAF Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc12 587206317 CXQGAIMMKZCVPA-UHFFFAOYSA-N 371.439 6.575 0 1 FKAF O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccc(Cl)c(Cl)c2)C1)CC4 587208813 AZXFNGJXENBQGL-OAHLLOKOSA-N 368.263 5.287 0 1 FKAF O=C(O)c1ccc(-c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)cc1F 587210085 DKVBEDMUOWMOGE-UHFFFAOYSA-N 369.395 5.505 0 1 FKAF Cc1cc2nc(-c3cc(N)cc4ccccc34)[nH]c2cc1Br 587251272 ARHPHIPSMSYECW-UHFFFAOYSA-N 352.235 5.036 0 1 FKAF CC[C@@H](C)Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587377643 XIWHFLDIOMVAMI-BLVKFPJESA-N 359.853 5.114 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccncc3)cc1)CC2=O 587491452 SJASTULECWCODS-QFIPXVFZSA-N 359.425 5.113 0 1 FKAF CC(C)(C)C[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587508095 YOVPLIBOGXZNJC-XMMPIXPASA-N 366.476 6.001 0 1 FKAF O=C1C[C@@H](c2cccc(-c3ccsc3)c2)Oc2c1ccc1c2CCCC1 587535658 NJCZWZZBYHMVIE-QFIPXVFZSA-N 360.478 6.000 0 1 FKAF O=C1C[C@@H](c2sc(Cl)nc2Cl)Oc2c1ccc1c2CCCC1 587536750 ZSBNYLJDLXOXON-LBPRGKRZSA-N 354.258 5.035 0 1 FKAF Cc1c(Cl)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546457 QVVCVEANPNXECF-WIYYLYMNSA-N 366.800 5.057 0 1 FKAF CC(C)(C)c1[nH]c2cc(Cl)c(F)cc2c1Cc1ccc(Cl)cc1 587628419 KNBKTSXIISSOMS-UHFFFAOYSA-N 350.264 6.502 0 1 FKAF CCOc1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccc1C 587779155 YEEDNXMLTDQRSQ-UHFFFAOYSA-N 370.758 5.489 0 1 FKAF Fc1ccc(F)c(-c2csc(COc3ccc(Cl)cc3Cl)n2)c1 587922114 HIFCIODPYNDFBX-UHFFFAOYSA-N 372.223 5.974 0 1 FKAF CCCC/C=C\c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 587965373 KVYPUGAXFPHXMC-SREVYHEPSA-N 374.444 5.492 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3ncccc3c2)n1 653673688 AFAFALVWPJMRRB-JOCHJYFZSA-N 366.468 5.490 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cccc(N(C)C)c2)n1 653775410 PRNVSEJFIRPUDD-OAQYLSRUSA-N 358.489 5.008 0 1 FKAF Clc1ccc(-c2noc(/C=C/c3ccc(Br)s3)n2)cc1 653798044 BPGFOJFMGWQHDN-SOFGYWHQSA-N 367.655 5.384 0 1 FKAF Cc1c(F)ccc2c1[C@@H](c1c(Cl)sc(Cl)c1Cl)NCC2 962143783 JCYMWLWCEZCORT-LBPRGKRZSA-N 350.673 5.391 0 1 FKAF CCCC[C@H]1CCCC[C@@]12c1ccsc1CCN2Cc1cccn1C 962373954 KSDDQZGJPKGMBF-AVRDEDQJSA-N 356.579 5.721 0 1 FKAF Cc1cccc2c1c([C@H]1NCCc3cc(-c4ccccc4)ccc31)cn2C 962667858 WHUYCMYPCIFSBI-VWLOTQADSA-N 352.481 5.389 0 1 FKAF C[C@@]1(c2ccc(Cl)c(F)c2)NCCc2cc(-c3ccccc3)ccc21 962670490 QZAUFVCLEKUIKI-QFIPXVFZSA-N 351.852 5.555 0 1 FKAF CCCCOc1ccc(C(CCC)(CCC)c2ccc(O)c(C)c2)cc1C 1857632842 MJBHWOHMNNZETI-UHFFFAOYSA-N 368.561 7.074 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@H]3CC[C@@]12C 2356678109 SQZDQHJQQVBLCS-XWTPEWMHSA-N 372.637 6.712 0 1 FKAF S=c1[nH]c(-c2ccc(Br)cc2)cn1CCc1ccccc1 13497233 RPBHAPZWIFJSLU-UHFFFAOYSA-N 359.292 5.218 0 3 FKAF O=C(NCC1CCCCC1)c1c(-c2ccccc2F)noc1-c1ccoc1 775014 URUIIGVVTRLCKI-UHFFFAOYSA-N 368.408 5.051 0 1 FKAF CC(C)(C)Nc1oc(-c2ccccc2)nc1-c1ccc(C(F)(F)F)cc1 8860594 CBVXMJWQIGHSLB-UHFFFAOYSA-N 360.379 6.238 0 1 FKAF CCCC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OC)cc1OC 13742202 WBCNQVCXESNFCA-UHFFFAOYSA-N 364.445 5.287 0 1 FKAF C[C@H]1C[C@H](C)CN(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)C1 14970851 RGSUWKJYBMJESY-GJZGRUSLSA-N 366.896 5.274 0 1 FKAF CCCC1(CCC)CC(=O)[C@H]([C@@H](c2ccccc2)C2CCCC2)C(=O)O1 18043051 IKFCQUBSBRPKID-LEWJYISDSA-N 356.506 5.432 0 1 FKAF CC(C)SC(Cn1ccnc1)(SC(C)C)c1ccc2ccccc2c1 27854848 LBSFNMNJTJSCKW-UHFFFAOYSA-N 370.587 6.173 0 1 FKAF COc1cc2nccc(Oc3ccc(Nc4ccccc4)cc3)c2cc1OC 27991728 GFFKMAXKVNNCFN-UHFFFAOYSA-N 372.424 5.788 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCC(=O)OC 28127391 PGPIYPKONDJEPW-KLQBPHMYSA-N 358.522 5.608 0 1 FKAF Fc1ccc(Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)cc1 28571291 PVQXGVSFLRLNTD-UHFFFAOYSA-N 374.394 5.909 0 1 FKAF CCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccc(C)cc4)c3c2C)cc1 28756793 ZGHBPLCFZKJLOJ-UHFFFAOYSA-N 371.484 5.720 0 1 FKAF CCCn1c(C)c(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21 40431220 PJQIBVPPWAUFQB-UHFFFAOYSA-N 357.453 5.753 0 1 FKAF in-vivo CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(Cl)s1)N2 49046149 ATRWKMRSGLIGPZ-BKTGTZMESA-N 361.938 6.334 0 1 FKAF Clc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1Cl 66112001 WGTJCFRQCMQCIF-UHFFFAOYSA-N 357.284 5.156 0 1 FKAF CC1(C)OC[C@@H]([C@]2(C)C=C3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@H]3CC2)O1 70455260 FJZIWOWYBFGDBI-PSZCFUFSSA-N 362.554 5.078 0 1 FKAF biogenic,in-vitro CCCC/C=C\CCCCCCCCCCCCCc1cc(O)cc(O)c1 72177072 KEAYVGHLOUCYNN-WAYWQWQTSA-N 374.609 8.068 0 1 FKAF CCc1cnc(-c2cnc(NC3CCCCC3)nc2-c2ccco2)s1 82165380 QQUNLHOGWBTKRQ-UHFFFAOYSA-N 354.479 5.167 0 1 FKAF CC(C)(C)Cc1c(-c2ccoc2)sc(N)c1C(=O)c1ccc(Cl)cc1 103228545 WVHUNTGERNLVHZ-UHFFFAOYSA-N 373.905 6.063 0 1 FKAF Cc1ccc(C2=NO[C@H](c3c[nH]c4ccccc34)[C@H]2CN2CCCCC2)cc1 103289251 MHYREROENGKCHO-XUZZJYLKSA-N 373.500 5.054 0 1 FKAF CN1CCN([C@H]2C[C@@H](c3cccc(F)c3)c3ccc(Cl)cc32)CC1(C)C 253646408 OVWCWUCMWSYGNV-FPOVZHCZSA-N 372.915 5.082 0 1 FKAF CC(C)[C@@]12CC[C@@]3(CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]3C1)[C@H](CN)C2 254074514 CFSIKOAGZWBLPX-SGIWWYSESA-N 361.570 5.085 0 1 FKAF COc1cc(/C=C\c2nc3cncc(C)c3[nH]2)cc(Cl)c1OCC(C)C 587046787 MDCFUOVESCVXKS-WAYWQWQTSA-N 371.868 5.134 0 1 FKAF CCc1cc(OCc2nc3cccc(Br)c3[nH]2)ccc1Cl 587052849 PPUMSUCXRXMAHN-UHFFFAOYSA-N 365.658 5.120 0 1 FKAF FC(F)(F)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587076101 IXLAGOQJQWDPTK-UHFFFAOYSA-N 373.765 5.964 0 1 FKAF Clc1cccc2c(-c3nc4ccccc4[nH]3)cc(-c3ccccc3)nc12 587082169 GITGLGVTHKAGQY-UHFFFAOYSA-N 355.828 6.099 0 1 FKAF Cc1sccc1-c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587101900 JHNBTGCLLFUNIY-UHFFFAOYSA-N 355.462 6.100 0 1 FKAF Fc1ccc(/C=C\c2nc3cc(Br)c(F)c(F)c3[nH]2)c(F)c1 587151335 YMYUULFMTIJJHV-RQOWECAXSA-N 371.131 5.052 0 1 FKAF O=C(c1ccc(C(=O)C(F)(F)F)cc1)c1coc2ccc(Cl)cc12 587277787 BWDPFTKKWCKKDT-UHFFFAOYSA-N 352.695 5.062 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C)C[C@H]3C)c1 587367821 XFFZCTJXKWMVAW-LSDHHAIUSA-N 357.453 6.342 0 1 FKAF COc1ccccc1-c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399814 MNEBGFXDTRWCEX-DEOSSOPVSA-N 373.452 5.133 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1sccc1Oc1ccccc1)[C@@H](C2)C3=O 587451053 IVRAQVYOMPIIPX-MGPUTAFESA-N 364.422 5.038 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCNc3ccc(Cl)cc31)CC2=O 587462693 QRTZMVSQJKKYKZ-NRFANRHFSA-N 371.864 5.065 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(C)c3)o1)CC2=O 587480702 KNFRXTXFXQDNGR-QFIPXVFZSA-N 362.425 5.620 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccccc3)cn2)Oc2c1ccc1c2CCCC1 587514244 HVBICUMYRJMIIK-QHCPKHFHSA-N 355.437 5.334 0 1 FKAF O=C1CC2(CCC3(CCc4ccccc43)CC2)Oc2c1ccc1c2CCCC1 587522183 FIGBZPNPNMFIKU-UHFFFAOYSA-N 372.508 5.728 0 1 FKAF CC[C@]1(c2ccc(C)cc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603739 RGMPMVKMPRBSOU-XUZZJYLKSA-N 374.436 5.276 0 1 FKAF CC(C)(C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 587629225 ZBEUYMNJAJAITN-UHFFFAOYSA-N 366.219 5.643 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-n1nc(C(F)(F)F)cc1C1CC1 587630124 TVZQUVQIAMDZMK-UHFFFAOYSA-N 357.738 5.351 0 1 FKAF Oc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccc(F)cc2)c(O)c1 587631208 XSHXQOKANLCACD-UHFFFAOYSA-N 371.770 5.845 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(-c3cccnc3)c2c1 587644368 WMNSIKJCNFEADG-MRXNPFEDSA-N 356.469 6.419 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 587780203 NRQVLGZSUCWSJJ-UHFFFAOYSA-N 366.823 6.088 0 1 FKAF COc1cccc(OCc2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)c1 587780581 DQVMDHSMPYTKKC-UHFFFAOYSA-N 364.832 5.471 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2c(Cl)cccc2s1 587872850 RVIAPVYBQLBXOF-UHFFFAOYSA-N 373.840 5.340 0 1 FKAF COc1ccc2c(c1)[C@@](C)(CC(=O)c1ccc(Cl)cc1)N(C(C)C)CC2 962089476 JTOYBYYBNPZTLU-JOCHJYFZSA-N 371.908 5.103 0 1 FKAF Fc1c([C@H]2c3ccsc3CCN2Cc2ccco2)ccc2[nH]ccc12 962707022 HIPJIAFUSWXUCB-HXUWFJFHSA-N 352.434 5.109 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(-c3ccc(C)cc3)no2)N1 962947465 NLHNWEHSWJPQIY-WAIKUNEKSA-N 357.457 5.145 0 1 FKAF COc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)s2)c1 1772587875 ASAWUXKLGKQANB-UHFFFAOYSA-N 368.454 5.020 0 1 FKAF COc1ccccc1C[C@H]1COC[C@@H]1Cc1ccc(Cl)c(Cl)c1 1772618762 XVLVZTROKABRGY-HOTGVXAUSA-N 351.273 5.050 0 1 FKAF CN(C)c1ccc([C@@H](C=C2C=Cc3ccccc3N2)c2ccccc2)cc1 2356453800 MIKIJJDATHBDEV-DEOSSOPVSA-N 352.481 5.907 0 1 FKAF C[C@@H]([C@@H]1CC=C2[C@@H]3CCC4=C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356596344 JLDLXPZTQHZTBT-CTBIDNGSSA-N 370.625 5.366 0 1 FKAF O=C(O)CCCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1 1914975 OLJBDKPTRLUCRA-UHFFFAOYSA-N 362.473 5.642 0 1 FKAF COc1ccc(-c2c(C)[nH]c(-c3ccccc3)c2-c2ccccc2)cc1OC 3949400 VENVPVPCMLZSGM-UHFFFAOYSA-N 369.464 6.341 0 1 FKAF CCCCCCOc1cc(CN(C)C)cc(OCCCCCC)c1O 13651551 RPDJWWDJNRHICF-UHFFFAOYSA-N 351.531 5.372 0 1 FKAF CCSCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947025 WIBNXFJZSBZXAH-GKJHBJHPSA-N 358.547 5.131 0 1 FKAF Clc1cccc(-c2nncn2Cc2cccc3ccccc23)c1Cl 28897915 IQWPGHVLMKJIRT-UHFFFAOYSA-N 354.240 5.453 0 1 FKAF Fc1ccc2c([C@H]3CNCC[C@H]3F)c(-c3ccc4ccccc4c3)[nH]c2c1 29392468 DAUSNPVLXKKGNQ-VQTJNVASSA-N 362.423 5.542 0 1 FKAF CC1(O)CCCCC(OC(=O)Cc2ccc3ccccc3c2)CCCC1 32181040 FLCATKSFGSRDQV-UHFFFAOYSA-N 354.490 5.180 0 1 FKAF biogenic CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCCC(C2CC2)=C1CCC(C)C 35813958 SCCVQQDOUFNKGM-RBEOCVBDSA-N 354.534 6.773 0 1 FKAF in-vitro O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCNc1ccccc1-3 36350487 AKBURUJPDKRCFY-UHFFFAOYSA-N 360.457 5.480 0 1 FKAF CCCOc1cc2c(cc1C(C)C)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 40425126 MVJKSRWLQCOPKK-YMPZKCBVSA-N 358.522 5.694 0 1 FKAF CC[P@@](=O)(OC)c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 59096834 NPHATSYXRPRCGF-HSZRJFAPSA-N 370.172 5.371 0 1 FKAF CC(C)c1cc(C(C)(C)C)cc(-c2cccc(C(F)(F)F)c2)c1CO 73313625 GTBYBLWEOQHEDF-UHFFFAOYSA-N 350.424 6.286 0 1 FKAF O=C(c1ccc(-c2ccccc2)cc1)c1cc2cc(-c3ccccc3)ccc2o1 103192591 QXRJWHPIVKZHIJ-UHFFFAOYSA-N 374.439 6.998 0 1 FKAF CCNCc1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 103261370 SHQNSNOQZLYJOO-UHFFFAOYSA-N 351.881 5.023 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118931714 BESWZNZZPZNJEO-NIRKWIOJSA-N 358.566 6.312 0 1 FKAF biogenic C[C@H]1CCCC/C(=C\Cl)C[C@H](C(C)(C)C)CC(=O)C/C=C\N(C)C1=O 238780953 PEHOQRLZZGCHCP-NIIPZSLLSA-N 367.961 5.693 0 1 FKAF Cc1[nH]c2ccccc2c1C1=CCN(C[C@@H]2C[C@H]2C(=O)c2ccccc2)CC1 299807373 BCXYITDQZWAHLP-RBBKRZOGSA-N 370.496 5.084 0 1 FKAF CCCC1(c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)CCC1 586877887 VARLLYXCTVYEJG-UHFFFAOYSA-N 365.315 5.582 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3cc(Br)c(C)cc3[nH]2)cc1 586880418 MTSVZOHIKXMTGL-UHFFFAOYSA-N 357.295 5.988 0 1 FKAF CCc1ccc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2c1 586966904 VMIIFTJQVZFHCB-UHFFFAOYSA-N 362.502 5.220 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 587017055 RIVPBBLNGMHFQC-NSHDSACASA-N 373.787 5.210 0 1 FKAF FC(F)(F)Sc1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587034443 FXCROGSYAMZERJ-CYBMUJFWSA-N 370.421 5.093 0 1 FKAF Clc1cccc(OCc2ccc(-c3nc4ncccc4[nH]3)o2)c1Cl 587056269 LCROSDAWTUXAGL-UHFFFAOYSA-N 360.200 5.104 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587069046 HOJADQLVCBZAEE-SECBINFHSA-N 367.663 5.900 0 1 FKAF N=c1[nH]ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587074484 YIDRQJGAFXBKQT-VKAVYKQESA-N 374.875 5.197 0 1 FKAF COc1ccccc1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106190 GVIPPPIHIVDIDY-UHFFFAOYSA-N 351.405 5.046 0 1 FKAF Cc1c(Cl)ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587227186 WFYNQJPPJHKHTI-MRXNPFEDSA-N 363.889 5.281 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@H]1c1ccc(Cl)cc1)O2 587380245 ROHUQLVGEHKIEL-AVRDEDQJSA-N 369.892 5.683 0 1 FKAF C[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccsc2S1 587535409 KPOCBKKOIUICAJ-FKIZINRSSA-N 356.512 5.372 0 1 FKAF CCC[C@@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602379 JRNLPJLLGLPIEA-REWPJTCUSA-N 366.457 5.473 0 1 FKAF CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2ccc(F)c(Cl)c12 587628527 NCUJFRIFFGJEBT-UHFFFAOYSA-N 352.192 5.458 0 1 FKAF CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2cccc(F)c12 587632588 KZNSDQNVADTODT-UHFFFAOYSA-N 373.642 5.417 0 1 FKAF Fc1ccc(SCc2c(-c3ccc(F)cc3)[nH]c3cccc(F)c23)cc1 587634142 BDFUTLAZPPPHLM-UHFFFAOYSA-N 369.411 6.545 0 1 FKAF CCCCc1ccccc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659749 CBRITLHRPRUCFP-UHFFFAOYSA-N 372.443 5.534 0 1 FKAF CC(C)(Oc1ccc(Cl)cc1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873720 IEZPECRPMDXOMJ-UHFFFAOYSA-N 372.783 4.946 0 1 FKAF COc1cccc([C@@H](C)Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587932933 XJDYCIBGXVCVCZ-JTQLQIEISA-N 352.331 5.076 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(Br)c(F)cc2[nH]1 587950927 FDWCNSLIKPZGIC-UVWXRNBGSA-N 369.278 5.511 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cc3cc(O)ccc3s2)N1 962956530 YIPWKKGYVSJFMK-JLCFBVMHSA-N 362.498 5.276 0 1 FKAF CC(C)(C)C[C@@]1(c2ccc(Cl)cc2)c2c(F)cccc2C[C@H]2CCCN21 963107593 RYTHQJPUKCRIOO-AUSIDOKSSA-N 371.927 6.179 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(Cc1ccc(F)cc1)c1ccncc1 963235534 WUYIAQSMFHEYMU-KBMIEXCESA-N 374.503 5.364 0 1 FKAF CC(C)c1nc(C=Cc2ccccc2)c(Cc2c[nH]c3ccccc23)[nH]c1=O 2356845204 OCLMPLIMKYRDOI-UHFFFAOYSA-N 369.468 5.136 0 1 FKAF CCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 13553413 NVTBPKIUNYSQKF-UHFFFAOYSA-N 363.292 5.463 0 1 FKAF CSc1ccc2c(c1)Sc1ccccc1N2C[C@H]1CCCN(C)C1 28821636 GKDHCOFVJKDDND-HNNXBMFYSA-N 356.560 5.353 0 1 FKAF Cc1cc(-c2cccc3ccn(C)c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C 29043499 XYAPBFRUZQERGJ-AWEZNQCLSA-N 352.909 6.505 0 1 FKAF Cc1c(C(c2ccccc2)c2oc3ccccc3c2C)oc2ccccc12 32288646 HXVLNMWFSLLIHE-UHFFFAOYSA-N 352.433 6.976 0 1 FKAF biogenic Clc1ccc(-c2cc(-c3ccoc3)cc(-c3ccc(Cl)s3)n2)cc1 45370820 FABUEYDFKFNXBZ-UHFFFAOYSA-N 372.276 7.044 0 1 FKAF c1ccc(C(Cn2cnc3ccccc32)(c2ccccc2)c2ccccc2)cc1 66112096 SJYWCGYSZSBFSE-UHFFFAOYSA-N 374.487 6.071 0 1 FKAF COc1cccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)c1F 72111322 DGFKAXFAMMRIHG-UHFFFAOYSA-N 374.433 5.256 0 1 FKAF CC1(C)C[C@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)N=CC3)c2ccccc21 100620966 JLTSFWCZPYNQBH-UGKGYDQZSA-N 358.485 5.015 0 1 FKAF Clc1ccc(CCN2[C@H]3CC[C@H]2c2c([nH]c4ccccc24)C3)cc1Cl 100753577 KQHWFSJEUGZFOE-XOBRGWDASA-N 371.311 5.779 0 1 FKAF CCCCC[C@@H](C)SC[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100999283 JPUVEYMMQIVSGF-UPOBBVNJSA-N 368.583 5.683 0 1 FKAF CSc1ccc(Nc2nc(C3C4CC5CC(C4)CC3C5)cs2)cc1 299822523 RBZNOUUSVYOICM-UHFFFAOYSA-N 356.560 6.148 0 1 FKAF CCc1oc2ccccc2c1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 586903518 LBWIRDRDIHJVIL-UHFFFAOYSA-N 354.409 6.331 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4nc(Cl)ccc4[nH]3)cc2)n1 587020357 OZMAHXLRRXWHFK-UHFFFAOYSA-N 372.906 5.336 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4c(F)c(Br)ccc4[nH]3)cc2C1 587034099 OVOXZBSRFQEBJR-MRVPVSSYSA-N 365.271 5.318 0 1 FKAF FC(F)(F)Oc1cccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 587054625 PEVKXHIZAXWAAO-FPLPWBNLSA-N 373.161 5.939 0 1 FKAF Clc1ccccc1CCc1nc2cccc(OCc3ccccc3)c2[nH]1 587059772 WFZVDLCDWMPSSV-UHFFFAOYSA-N 362.860 5.581 0 1 FKAF CCn1nc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1C 587098614 RBHJNRMNFSMGSG-UHFFFAOYSA-N 367.452 5.255 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)Cc1cc(F)ccc1C3 587104658 TWFADCWSSMIAGK-UHFFFAOYSA-N 351.380 5.080 0 1 FKAF Cc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1C 587148851 DGWYHXHDUXZYQU-NRFANRHFSA-N 364.395 5.626 0 1 FKAF CC(=O)CC/C=C\CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587206390 LUUWQDHWCFKYBB-IHWYPQMZSA-N 355.437 5.304 0 1 FKAF CC[C@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353516 LDPFRESOFHGUDK-JTHBVZDNSA-N 368.448 5.619 0 1 FKAF CC(C)C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359139 ZOXMTKAWWDDADI-OFNKIYASSA-N 370.464 5.721 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3cc(C)ccc3c1)CC2=O 587490103 RQKKISFHZVKPIZ-DEOSSOPVSA-N 360.453 5.687 0 1 FKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1Cl 587502111 COPJVAHXKKQHHR-GOSISDBHSA-N 360.812 5.073 0 1 FKAF CC1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(F)cc2O1 587505600 JEKXNSFXHGQMSI-QHCPKHFHSA-N 366.432 5.126 0 1 FKAF Cc1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587512406 NQLXTYYYFLOHKQ-DEOSSOPVSA-N 371.480 5.679 0 1 FKAF CCc1ccc([C@@]2(CC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601500 GMOBVGXRKZGLMH-ZJSXRUAMSA-N 374.436 5.222 0 1 FKAF Cc1cc(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587698864 JZRNHNPUYRYRGA-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2CCCCC2)(C2CC2)N1 587814295 GSXSCNLQMKUKJA-BUXKBTBVSA-N 366.318 5.308 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C2CC2)N1 587819054 KRMFOFLRECLEON-WLRWDXFRSA-N 360.270 5.089 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587952334 OYKDCCQRXFBZDQ-DYEKYZERSA-N 356.388 5.508 0 1 FKAF Fc1cc2[nH]c(/C=C/c3cccc4ccccc34)nc2cc1-n1cccn1 587969732 VRLKGZBICGYXCY-MDZDMXLPSA-N 354.388 5.211 0 1 FKAF FC(F)(F)Oc1cccc2nc(/C=C\c3cccc4ccccc34)[nH]c12 587970131 YRESMNPHGWTNEA-QXMHVHEDSA-N 354.331 5.785 0 1 FKAF Cc1cccc(CC[C@@]2(c3ccccc3)NCCc3c2sc(C)c3C)c1 963004206 BJWTYMRDSYQHJY-DEOSSOPVSA-N 361.554 5.695 0 1 FKAF Clc1ccc(Oc2cc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 1772592837 ZKHDKSVROILDBS-UHFFFAOYSA-N 373.066 6.507 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]3CCc4cocc4[C@@]3(C)C(=O)C[C@@H]12 2356795507 MDCITCVMDVUGER-KHEDLPSQSA-N 368.561 6.321 0 1 FKAF COc1ccc(C2=Cc3ccccc3C2)cc1C12CC3CC(CC(C3)C1)C2 2382226112 FGYUHKJMVXXNLB-UHFFFAOYSA-N 356.509 6.260 0 1 FKAF O[C@@H](c1ccc2ccccc2c1)c1nc(-c2cccc3ccccc23)c[nH]1 61898345 FSDJBPFBFFXTPZ-QHCPKHFHSA-N 350.421 5.465 0 3 FKAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCCC 4213761 VYTMIMPCYJIKLC-RTWAWAEBSA-N 374.525 5.016 0 1 FKAF CC(C)(C)c1ccc(-c2nc3ccc(-c4ccccc4)cc3c(=O)o2)cc1 26580110 GZJSEWBZHPRODH-UHFFFAOYSA-N 355.437 5.820 0 1 FKAF CCC(CC)c1cc(C)n2nc(-c3cc4c(cc3C)OCO4)c(C)cc12 82158333 UBDBGSWWAIWABV-UHFFFAOYSA-N 350.462 5.559 0 1 FKAF CCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2F)n1 82174983 LCBAFMAOHOWUOE-UHFFFAOYSA-N 356.470 5.235 0 1 FKAF COc1ccc2c(c1)oc1c(Nc3ccc(Cl)c(Cl)c3)ncnc12 95594522 CWVXVZDOKOWYNM-UHFFFAOYSA-N 360.200 5.435 0 1 FKAF CCCCCc1cc(OC)c2cc(Cc3ccc(Cl)cc3)c(=O)oc2c1 96270884 WDFBPYPFEHXVSP-UHFFFAOYSA-N 370.876 5.779 0 1 FKAF CCC(=O)C(CC/C=C/CCc1ccc(OC(F)(F)F)cc1)C(=O)CC 137666023 XXNBOSLAQNKODZ-AATRIKPKSA-N 370.411 5.429 0 1 FKAF O=C(O)c1sc(-c2ccccc2)cc1N1C(=O)CCC[C@@H]1C1CCCC1 299833955 PVMDWHVFHYOOKR-MRXNPFEDSA-N 369.486 5.189 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1c(F)cccc1C4)-c1ccccc1C2=O 586997669 VKEPZIRUIJUFER-UHFFFAOYSA-N 351.380 5.465 0 1 FKAF FC(F)(F)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587021586 MKCVNCFTIVTHIV-UHFFFAOYSA-N 359.376 5.296 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4cc(SC(F)(F)F)ccc4[nH]3)cc2C1 587034676 XYGRFFIMYIXPJV-SECBINFHSA-N 368.449 6.028 0 1 FKAF Clc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2n1 587063352 KYLLVCDLRWWTDA-UHFFFAOYSA-N 370.239 5.511 0 1 FKAF Fc1c(Cl)cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1F 587068101 HIECTLQDNVLTJT-UHFFFAOYSA-N 365.170 5.205 0 1 FKAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc(C)c1O 587101228 KWWVXRGPHLXHQF-UHFFFAOYSA-N 365.432 5.744 0 1 FKAF Cc1cc2c(cc1-c1cc3c4c(cccc4n1)CC3)C(C)(C)[C@@H](C)C2(C)C 587214805 ZEENHSIGRKNSGC-INIZCTEOSA-N 355.525 6.514 0 1 FKAF Oc1cc(OCc2ccccc2)ccc1-c1cc2c3c(cccc3n1)CC2 587214816 VFRAZEFTNNBKNX-UHFFFAOYSA-N 353.421 5.285 0 1 FKAF COc1cccc(-c2cc(/C=C(/C)NC3CC3)nc3c2oc2ccccc23)c1 587364047 ZNILSUHIVSZLPE-QINSGFPZSA-N 370.452 5.769 0 1 FKAF O=C1C[C@@](c2cccc(F)c2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587504748 NEPDAFOVUPTKTE-XMMPIXPASA-N 373.427 5.009 0 1 FKAF CC[C@@]1(c2c(F)cc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509002 VNLZKYJCJILAOG-NRFANRHFSA-N 360.375 5.253 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2Cl)N1 587720260 NCWDRNYXIYSALR-ZKANADHPSA-N 372.640 5.004 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(SC(C)(C)C)cc3)n2)cc1 587925651 SFYRKRSCNPJGSH-UHFFFAOYSA-N 371.596 7.090 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(Cl)c(C)c3[nH]2)cc1 587933031 IWQKJXSCUAVZMD-FQEVSTJZSA-N 362.860 5.714 0 1 FKAF CCC[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(C)C 587954800 FYRNHGQZHUXZGS-SNVBAGLBSA-N 363.221 5.884 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(SC(F)F)cc2)N1 962944806 FPRCMCCLNVNPDT-LHSJRXKWSA-N 372.484 5.670 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2C12CCN(c1cc(C)cc(C)c1)CC2 963232390 RYCGHDJQRCHBQQ-NRFANRHFSA-N 362.561 5.456 0 1 FKAF Cc1cc2c(C(C)C)ccc(C)c2cc1OC(=O)c1cccc(Cl)c1 1772578100 YECUSFJDERNCSY-UHFFFAOYSA-N 352.861 6.453 0 1 FKAF Cc1ccc2c([C@@H](CC3CC3)CC(F)(F)F)c(-c3ccccc3)[nH]c2c1 1857599946 JNUWNUTZXLEZED-KRWDZBQOSA-N 357.419 6.979 0 1 FKAF CO[P@@](=O)(c1ccc2nc(-c3ccc4ccccc4c3)oc2c1)C(C)C 1911575915 PTWXNYJAHNLZCU-AREMUKBSSA-N 365.369 5.606 0 1 FKAF CCCC1CCC2(CC1)CC[C@@H]2OC(=O)Nc1c(OC)cccc1OC 205706698 QMHVQPGHHGRWDC-GFBDMGBSSA-N 361.482 5.391 0 3 FKAF CC(C)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774892 DKFOXAAYRLSVLW-UHFFFAOYSA-N 360.866 5.109 0 1 FKAF CCCN(CCC)CCCc1ccc(OC)c(OCCc2ccccc2)c1 13795797 PEHAMGDRVOBROR-UHFFFAOYSA-N 369.549 5.371 0 1 FKAF C=C[C@](C)(O)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](Br)CC[C@@]12C 14861006 DOQDXPQNPHVLQP-JOMPHRNESA-N 369.387 5.876 0 1 FKAF biogenic CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(C(=O)O)c1 28822157 LWPHMYDSUBVSCJ-UHFFFAOYSA-N 352.518 6.917 0 1 FKAF C[C@@H]1N=C(S)N(Nc2cc(Cl)ccc2Cl)[C@H]1c1ccccc1 29330157 QWHAZJTXPSTYRY-ZUZCIYMTSA-N 352.290 5.052 0 1 FKAF COc1ccc(Cc2cc3ccccc3cc2-c2cncc(OC)c2)cc1 40834623 QUWZZCOGVFPHNJ-UHFFFAOYSA-N 355.437 5.510 0 1 FKAF Fc1cccc(CSC2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2)c1 43024301 RCJWGNZTUJJKRY-SFTDATJTSA-N 362.473 5.501 0 1 FKAF CSc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1 49785359 SNUAJIKHMBJYJY-QFIPXVFZSA-N 362.473 5.903 0 1 FKAF CCC(CC)Oc1cc(OC)ccc1/C=C1\CCCN=C1c1cccnc1 49802928 CXIINIOUASRFIP-NBVRZTHBSA-N 364.489 5.324 0 1 FKAF Clc1ccccc1Oc1ccc(Nc2ncnc3cc[nH]c23)cc1Cl 73169955 AYIGALYNJFDMRN-UHFFFAOYSA-N 371.227 5.801 0 1 FKAF CCCCCc1nc(-c2cnc(N[C@@H](C)CC)nc2-c2ccco2)oc1C 82166108 ZMOFXYYKOFCYEQ-AWEZNQCLSA-N 368.481 5.643 0 1 FKAF Cc1ccc(CN2[C@H]3CC[C@@H]2CC(Nc2cccc4cnccc24)C3)cc1 96167574 RAPCYCUXNJRBES-FRIKZZABSA-N 357.501 5.151 0 1 FKAF O=C1Nc2ccccc2/C1=C\c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1 96273696 YJKHNFBXHIHRMJ-WRMRRPGHSA-N 363.420 5.226 0 1 FKAF CCOc1cc(C(C)(C)C)ccc1C1=NC[C@H](c2ccc(Cl)cc2)N1 96916547 LSIYAOPPHCNKAP-GOSISDBHSA-N 356.897 5.127 0 1 FKAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)c3ccccc3F)ncc2c1 144373517 GFFPABCBIQQDFV-UHFFFAOYSA-N 374.390 5.741 0 1 FKAF Oc1nc(Nc2ccccc2)sc1Cc1cccc(Cl)c1Cl 169688054 FKVQUYJREZPQGB-UHFFFAOYSA-N 351.258 5.490 0 1 FKAF C[C@@H](Oc1ccc(Cl)c(Cl)c1)c1nnc(Nc2ccc(F)cc2)o1 169702770 MPJAVEPDLMYJRR-SECBINFHSA-N 368.195 5.399 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](c1ccoc1)CCC3 586991974 RLMLWCYCJXNVTF-CQSZACIVSA-N 367.404 5.213 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(C(C)(C)C)nc2[nH]1 587012994 XMHJFTHJOQEISU-UHFFFAOYSA-N 362.502 5.278 0 1 FKAF Fc1cnc(Br)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc12 587026340 UBYMBGFGNHDCSC-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)cncc4[nH]3)c21 587030762 KWQFRQVTSZBIPX-LLVKDONJSA-N 368.893 5.570 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 587065873 BCNKVFKESMYCTM-UHFFFAOYSA-N 369.679 5.843 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1c(N)cccc1CC4)-c1ccccc1C2=O 587099194 YXMRRFIVMRTEKD-UHFFFAOYSA-N 362.432 5.102 0 1 FKAF COCOc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108258 YMWQPLNZQFCTNG-UHFFFAOYSA-N 367.404 5.096 0 1 FKAF CCOc1cc(/C=C/c2nc3cccc(Cl)c3[nH]2)ccc1OC(F)F 587130022 IYUGGLPLEWQAPA-VQHVLOKHSA-N 364.779 5.387 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587170844 UNEVUYAGQNMTKB-SECBINFHSA-N 372.362 5.756 0 1 FKAF CC(C)(C)c1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)CC4)cc1 587215322 LLTJETWVVWBOOP-UHFFFAOYSA-N 359.469 5.315 0 1 FKAF COc1cccc(-c2cc(-c3ccccc3)nc3c2oc2ccccc23)c1 587365325 JNWUIOPYHAOHCM-UHFFFAOYSA-N 351.405 6.324 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(C)(C)C)cc1O)CC2=O 587489808 PGOZAHFPHCSABA-FQEVSTJZSA-N 354.446 5.054 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C3CCCCC3)s1)CC2=O 587494454 LVUARTNUFAUSSF-LJQANCHMSA-N 370.514 6.160 0 1 FKAF C[C@@]1(c2cccc(C3CC3)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508077 YLAHFLGUCVZSNC-QHCPKHFHSA-N 350.433 5.463 0 1 FKAF Cc1cc(Cl)cc2c(C(C)C)c(-c3cccc(C(F)(F)F)c3)[nH]c12 587624976 XOAVGZPFCOGJEI-UHFFFAOYSA-N 351.799 6.939 0 1 FKAF CCOC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cccc(F)c12 587634307 UVCLHZCWBRKHBT-UHFFFAOYSA-N 351.299 5.170 0 1 FKAF O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873885 LDOXUFXXFHJKEK-UONOGXRCSA-N 354.768 4.892 0 1 FKAF Fc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cc1F 587922203 MMBSCOSULDZKBA-UHFFFAOYSA-N 355.331 5.698 0 1 FKAF COc1cccc([C@H](C)Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587930123 HCHOEEFRKDQHQU-QGZVFWFLSA-N 372.468 5.497 0 1 FKAF Cc1c(Br)ccc2nc(/C=C/c3cccc4ccccc34)[nH]c12 587970192 ZTUWBMHQOBIUKM-FMIVXFBMSA-N 363.258 5.957 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3Cl)nc3c2Cc2ccccc2-3)cc1 653738946 ZBECQTNGNSBHNI-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2ccc(-c3ccccc3)nc2)cc1 962667559 LWLFCLPLHGWQAD-AREMUKBSSA-N 362.476 5.651 0 1 FKAF COc1cccc(Cl)c1[C@@]1(C)NCCc2cc(-c3ccccc3)ccc21 962667970 NOLZCEWEHOHPAS-QHCPKHFHSA-N 363.888 5.425 0 1 FKAF Fc1ccc(-c2csc(N3COc4ccc5ccccc5c4C3)n2)cc1 1857656826 FDYBSUSAOROIMN-UHFFFAOYSA-N 362.429 5.459 0 1 FKAF CC[C@H](O)[C@H](C)CCCC(C)=CC[C@H](O)C(C)=Cc1csc(C)n1 2356539501 QLPPQPNJLHXPOV-XPGWFJOJSA-N 351.556 5.129 0 1 FKAF COC(=O)C[C@H](C)CCCC(C)=CCCc1coc(Cc2ccco2)c1 2356689505 LLSOQDIXKJXJRD-GOSISDBHSA-N 358.478 5.712 0 1 FKAF CCN(C(=N)N(C)c1cccc2ccccc12)c1cccc2ccccc12 3796028 RDCJPLQUXNGHAL-UHFFFAOYSA-N 353.469 5.890 0 1 FKAF Cc1ccccc1Nc1oc(-c2ccccc2)nc1CCc1ccccc1 8690122 AHXMAAVJFNWPBR-UHFFFAOYSA-N 354.453 6.179 0 1 FKAF COc1cc(C(=O)OCC2=CC[C@@]3(C)CCC(C(C)C)=C3CC2)ccc1O 13432025 YOVPRFXHMJHUMZ-QHCPKHFHSA-N 370.489 5.421 0 1 FKAF biogenic CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(COC)cc2C)c1C 14975004 HJKKRTRLAGWQDY-UHFFFAOYSA-N 357.494 5.821 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)nc2ccccc12 26376119 YFAFGNHCDIZXCF-UHFFFAOYSA-N 374.831 5.594 0 1 FKAF CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)sc1-c1ccsc1 28225331 LLWOUCRCKUPKQO-UHFFFAOYSA-N 363.891 5.298 0 1 FKAF CCCCCSCC[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 40527520 AIXODEBHLBBHQA-VBDQWWCFSA-N 354.556 5.295 0 1 FKAF O=C(O)C[C@H](O)CCc1ccc(-c2ccc3c(c2)oc2ccccc23)cc1 45291723 NNDUJQBMMUXFHC-GOSISDBHSA-N 360.409 5.021 0 1 FKAF CCCO[C@@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1ccnc1 45337674 ASCCFFNEODFVAH-DLBZAZTESA-N 352.931 5.735 0 1 FKAF CCCCN(CCCC)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 84671976 LAWMSMZOFZFWQK-UHFFFAOYSA-N 361.489 5.339 0 1 FKAF Cc1ccc(-c2cc([C@H]3[C@@H](c4ccc(C)cc4)C[C@H]4CC[C@H]3N4C)on2)cc1 100863686 IQNHMRJZPKQKFD-VLOWTAQSSA-N 372.512 5.692 0 1 FKAF CC1(C)C[C@H](OCCSc2ccccc2)[C@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3 103218516 DJLMTUROYCIYRP-QWCYLASJSA-N 374.590 5.541 0 1 FKAF Clc1ccc([C@@H](NC2CCCCC2)c2ccc(-c3cn[nH]c3)cc2)cc1 103265784 ZDIXEQRWXYBXTA-QFIPXVFZSA-N 365.908 5.742 0 1 FKAF COC(=O)c1c(/C=C/c2ccc(C)cc2)cc(OC)c(CC=C(C)C)c1O 207997497 UVJSXQFYANQCLO-VAWYXSNFSA-N 366.457 5.175 0 1 FKAF CCCC(Br)(CCC)c1nc2cc(C(F)(F)F)ncc2[nH]1 586971880 ZYDGOGYOKGEZAT-UHFFFAOYSA-N 364.209 5.167 0 1 FKAF Clc1cc(Cl)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 587032679 MUTYMZODOVPHNY-UHFFFAOYSA-N 374.296 5.878 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(C)ccc(C)c2[nH]1 587044656 LBWBRQYPBMQHIZ-UHFFFAOYSA-N 351.233 5.171 0 1 FKAF Cc1cncc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587072481 QVDZWCVMCNMOJX-XLKPZTHESA-N 372.299 5.939 0 1 FKAF Cc1ccc2c3c(c(C4CCCCC4)c(C(=O)O)nc13)-c1ccccc1C2=O 587100651 NJRLKGKKELVIDK-UHFFFAOYSA-N 371.436 5.501 0 1 FKAF O=C(/C=C/c1nc2ccc(Oc3ccccc3)cc2[nH]1)Nc1ccc(F)cc1 587166914 JWHVOAXPBXLQSZ-OUKQBFOZSA-N 373.387 5.146 0 1 FKAF O=C(c1cc(Cl)ccc1C(F)(F)F)c1coc2ccc(Cl)cc12 587278746 SMUOFLPZSIFMEE-UHFFFAOYSA-N 359.130 5.989 0 1 FKAF Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)c1coc2ccc(Cl)cc12 587279219 YXJYEJOEZDQUCH-UHFFFAOYSA-N 371.219 6.539 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=CC(C)(C)C3)c1 587366369 LQHAJMIPKYTRQC-UHFFFAOYSA-N 355.437 6.252 0 1 FKAF CC[C@]1(c2ccc(Cl)c(N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508778 SXVXKAOFVOIHNA-OAQYLSRUSA-N 355.865 5.072 0 1 FKAF CC(C)COc1cccc(OCc2nc3ccc(C(C)(C)C)cc3[nH]2)c1 587565760 JUXROLCVWXAAGL-UHFFFAOYSA-N 352.478 5.474 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(-c3ccc(F)cc3)c2c1 587643956 ZBKTVDZLCGMZFA-INIZCTEOSA-N 373.471 7.163 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C(F)F)N1 587719066 PEDVSSCTKVCMOX-JDNHERCYSA-N 370.212 5.149 0 1 FKAF CCCCc1ccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587875864 KPHHZNREHCJMJS-UHFFFAOYSA-N 367.449 5.383 0 1 FKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587928980 FOIIDXZAZDAGJK-ACJLOTCBSA-N 364.342 5.175 0 1 FKAF CC[C@]1(Cc2nc3cc(Cl)cc(F)c3[nH]2)CC(=O)c2ccccc2C1 587959978 JNNYFSUSONJEQL-HXUWFJFHSA-N 356.828 5.123 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2C12CCN(c1ccccc1Cl)CC2 963232206 DAGBYMPSZLSJMK-GOSISDBHSA-N 368.952 5.492 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c(C2CC2)nc2sccn12 963233774 DEEAYMQMLVUACQ-IFXJQAMLSA-N 351.519 5.019 0 1 FKAF CC1=C([C@H](C)CCCC(C)C)CC[C@]12CC[C@@H]1[C@@H]2CC[C@H]2CCCC[C@@]21C 2356613575 QNEPSTOKGZVQKP-GAKACPBPSA-N 370.665 8.562 0 1 FKAF COc1cc([C@@H](O)c2nc(-c3ccc4ccccc4c3)cs2)ccc1F 61902660 UFRIKYPJKXJLKY-HXUWFJFHSA-N 365.429 5.193 0 3 FKAF Clc1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1Cl 1625163 GEWGSMNVDSQSSO-UHFFFAOYSA-N 372.280 6.409 0 1 FKAF O=C(Nc1cccc(SC(F)(F)F)c1)Nc1cccc2ncccc12 13608714 OUBFHRCJKDOFHM-UHFFFAOYSA-N 363.364 5.491 0 1 FKAF CCCCC/N=c1\ccn(Cc2ccc(Cl)cc2)c2ccc(OC)cc12 13741412 CJCYDPWIDBVYTE-DARPEHSRSA-N 368.908 5.443 0 1 FKAF CO[C@@H](c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1 13822689 XUMOXZBAIWUITO-NRFANRHFSA-N 361.466 5.611 0 1 FKAF COc1cc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1 38358253 MPUREFBGFHHVBA-MDZDMXLPSA-N 368.517 6.175 0 1 FKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2[nH]ccc12 38410989 RKGLKMGUGFDKAX-UHFFFAOYSA-N 353.731 5.484 0 1 FKAF CCCCCNC(=O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1 40404115 PTKBBYNIGWGGIV-UHFFFAOYSA-N 359.469 6.299 0 1 FKAF Cc1csc(NC(=O)[C@]2(C)CC3c4ccccc4C2c2ccccc23)n1 40408699 XWVYWIMKFIEORA-OBFZPWGMSA-N 360.482 5.077 0 1 FKAF O=c1cc(-c2ccccc2Cl)oc2cc(CN3CCCCC3)ccc12 103221438 ROIOCRIIVHXSFZ-UHFFFAOYSA-N 353.849 5.099 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N(C)C(C)C 169300956 YMKZFVLXTSLKQD-LUDVVXGUSA-N 359.598 6.999 0 1 FKAF Cc1ccccc1[C@@H](C[C@@H](N=O)c1ccncc1)c1ccc(N(C)C)cc1 169730244 PJPNDEXWHMPNBM-XZOQPEGZSA-N 359.473 5.486 0 1 FKAF C/C=C(/C)C(=O)O[C@H]1C/C=C(\C)CC[C@@H](C(C)C)[C@@H](OC(C)=O)/C=C\1C 238760195 BNIDKQNFOZHCRT-RORNTJQYSA-N 362.510 5.145 0 1 FKAF O=C(O)/C=C\c1ccccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 586878148 ALTAMCVMFAMSJU-RAXLEYEMSA-N 372.449 5.479 0 1 FKAF Oc1cccc(CCCCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 586896758 XFTTXTKMTMEGCW-UHFFFAOYSA-N 374.509 5.985 0 1 FKAF Cc1ccc([C@@H](C)c2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)o1 587102188 SYAAEFOIGQPFRE-HNNXBMFYSA-N 353.421 5.808 0 1 FKAF Fc1cc(Br)c2[nH]c(Cc3ccccc3C(F)(F)F)nc2c1 587106102 DZOASZIFLPDZLS-UHFFFAOYSA-N 373.147 5.074 0 1 FKAF CCCCc1nc2cccc3c2c(c1CCCC(=O)O)-c1ccccc1C3=O 587207617 TXDVMGQJJFNJDR-UHFFFAOYSA-N 373.452 5.196 0 1 FKAF Cc1ccc(NC2(c3nc4cccc(C(F)(F)F)c4[nH]3)CCCC2)cc1 587237552 SVPXPUDZIOMKGU-UHFFFAOYSA-N 359.395 5.772 0 1 FKAF CCCC[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358935 YXHIWGXNPZYESA-RBBKRZOGSA-N 356.437 5.475 0 1 FKAF CCCC[C@@]1([C@@H]2CCOC(C)(C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 587535930 PKWZKDQFSURLCM-KOSHJBKYSA-N 370.533 5.665 0 1 FKAF CC(C)[C@H]1CC[C@H](C)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603096 KXIBBLGOUODVPA-GAOFFHQZSA-N 366.457 5.185 0 1 FKAF CC(C)C[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604528 UTZKANKRCOKUHK-GRWTVWFQSA-N 366.457 5.329 0 1 FKAF CCOC(=O)c1c(-c2cc(F)c(F)cc2F)[nH]c2c(C)cc(Cl)cc12 587624551 LPQZTHJKKICNDT-UHFFFAOYSA-N 367.754 5.391 0 1 FKAF CCc1cccc(C)c1-n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862565 CFSRVGABPQMDIW-UHFFFAOYSA-N 360.379 5.438 0 1 FKAF CCCN1[C@@H](c2cccc(Oc3ccccn3)c2)c2ccccc2C[C@H]1C 963226160 GRBKORCTNOMSAF-KOSHJBKYSA-N 358.485 5.620 0 1 FKAF O=C(O)CCc1ccc(OCc2cccc(-c3ccncc3Cl)c2)s1 1772584854 WPFOCLXEFAWBHD-UHFFFAOYSA-N 373.861 5.060 0 1 FKAF CCC=CC[C@@H](C=CC=CCCCCCCCC(=O)OC)OC(C)=O 2356456957 XXQCJTKSMNNZSF-FQEVSTJZSA-N 350.499 5.291 0 1 FKAF CC1=C2C[C@]3(C(=O)O)CC[C@H](C(C)C)[C@@H]3C[C@@H]2[C@]23CC[C@H](C)[C@@H]2CC[C@@]13C 2356704557 XXBPHKHKRDOYCF-OBTRBEJMSA-N 370.577 6.312 0 1 FKAF C[C@](O)(c1ccc(F)c(F)c1)c1nc(-c2csc3ccccc23)cs1 61903074 SXCXGJJTJDPZLI-IBGZPJMESA-N 373.449 5.559 0 3 FKAF O[C@@H](c1ccc2ccccc2c1)c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 61908860 AHIIIZXNFQILTC-IBGZPJMESA-N 368.358 5.330 0 3 FKAF COc1ccc([C@@H](c2ccccc2)[C@@H](C)C(=O)c2c(C)cc(C)cc2C)cc1 1629263 FODRFNKXXDTGIV-CJFMBICVSA-N 372.508 6.271 0 1 FKAF CCCCc1oc2ccccc2c1Cc1ccc(-c2ccc(O)cc2)cc1 13806784 AESGURZHBVMCOS-UHFFFAOYSA-N 356.465 6.739 0 1 FKAF in-vivo c1ccc(OCCCCCCCCCCCCCOc2ccccc2)cc1 14771656 YBKOKZOLSIXILH-UHFFFAOYSA-N 368.561 7.436 0 1 FKAF endogenous,in-man CCCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 26675476 MEIHGPABNMJLLS-UHFFFAOYSA-N 367.533 5.048 0 1 FKAF CCCCC/C=C/Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 27761679 OXYFFHDPKGORMT-RMQQFATJSA-N 354.534 6.682 0 1 FKAF CCCc1cc2ccccc2cc1OCc1ccc(C(=O)O)cc1OC 27888171 WVQUTMXPSUTSSJ-UHFFFAOYSA-N 350.414 5.078 0 1 FKAF CC(C)c1cccc2ccc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)nc12 28227698 UNKSGEZQGQSAEO-UHFFFAOYSA-N 356.425 5.719 0 1 FKAF CCCO[C@@H](c1ccccc1Cl)[C@@H](SC(C)(C)C)n1cnc(C)c1 45366944 ZQMAZVIVIYATFX-ZWKOTPCHSA-N 366.958 6.043 0 1 FKAF CC(C)n1cnc2c(NCc3ccccc3)cc(Cc3ccccc3)cc21 49089117 VAOQHUPKRLWVNT-UHFFFAOYSA-N 355.485 5.820 0 1 FKAF Cc1cccc(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c1C 66114523 ZJJOAFCRXWXDNP-UHFFFAOYSA-N 360.453 5.567 0 1 FKAF Cc1nc(-c2cnc(NC3CCCC3)nc2-c2ccc(F)cc2)sc1C 82164073 AJOIGANHWGOAIT-UHFFFAOYSA-N 368.481 5.378 0 1 FKAF Cc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccc(F)cc2)sc1C 82164241 RSXRSXYWVSMNIY-UHFFFAOYSA-N 370.497 5.115 0 1 FKAF Cc1cc(N)c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2n1 103237074 GTACRKCNWXMANA-UHFFFAOYSA-N 369.424 5.170 0 1 FKAF CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccco1)CCC3 113122756 KGMPTSVIIVRZGK-ZDUSSCGKSA-N 355.459 5.322 0 1 FKAF CCN(CC)c1ccc(-c2csc(Nc3cccc(SC)c3)n2)cc1 201744180 DRYGYZBSFUKPPU-UHFFFAOYSA-N 369.559 6.122 0 1 FKAF CC(C)[C@H](C)Nc1cc(NC(=O)c2cccs2)cc(C(F)(F)F)c1 299837165 JJOTYXMTNZIMSZ-NSHDSACASA-N 356.413 5.476 0 1 FKAF Clc1cc(Br)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586884371 PELASJDZMMMBNE-RVOMIOKESA-N 365.702 5.447 0 1 FKAF Cc1cc(Br)c2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2c1 587084762 HVBLQOXYRFMCAD-UHFFFAOYSA-N 372.653 5.502 0 1 FKAF CC(=O)c1ccccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587100035 YTTOKUISAYTFHY-UHFFFAOYSA-N 363.416 5.624 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1ccccn1)CCC3 587105751 HKLSPKHQZMMZAH-KRWDZBQOSA-N 362.432 5.309 0 1 FKAF Cc1c(Cl)ccc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 587113025 JAVZYWUKFBGTEI-JTQLQIEISA-N 352.787 5.890 0 1 FKAF Fc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1F 587124386 WJCPWZHTTLSYFN-UHFFFAOYSA-N 374.334 5.173 0 1 FKAF Cc1cc(C)c2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2c1 587127995 DWEOZQQXXFNRIS-UHFFFAOYSA-N 355.413 5.908 0 1 FKAF CCc1ccc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c2c1 587145627 OSQGBZLMOLUAAE-UHFFFAOYSA-N 364.851 6.560 0 1 FKAF CC1(C)CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587350409 HTKPQHSPDAASCO-DENIHFKCSA-N 354.421 5.229 0 1 FKAF COc1cccc(-c2cc(-c3cnoc3C)nc3c2oc2ccccc23)c1 587362111 DZEKUHYPEHOLCI-UHFFFAOYSA-N 356.381 5.620 0 1 FKAF COc1cccc(-c2cc(Cc3ncccn3)nc3c2oc2ccccc23)c1 587364576 XKTHNMNYJIPFGE-UHFFFAOYSA-N 367.408 5.037 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccccc1Sc1ccccc1)[C@@H](C2)C3=O 587449719 CKRQVBRBJHKKLD-FDDCHVKYSA-N 374.461 5.335 0 1 FKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CC(C)C 587511707 IFBSLHHELXBLNK-QFIPXVFZSA-N 351.490 5.346 0 1 FKAF COc1ccc2c(c1)CCCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522548 FNMGSTFSQSXGHC-DEOSSOPVSA-N 362.469 5.161 0 1 FKAF O=C1C[C@@]2(CCCC[C@@H]2C2CCCCC2)Oc2c1ccc1c2CCCC1 587527374 UOEAVCYNQXVWNY-ZJSXRUAMSA-N 352.518 6.040 0 1 FKAF O=C(c1c(-c2cccc(F)c2)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F 587629177 XVAZMGMNVOELTO-UHFFFAOYSA-N 359.681 5.512 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c([C@@H]3COCCN3C(=O)OC(C)(C)C)c2c1 587642062 JCKGGUVNHATNEP-LIRRHRJNSA-N 372.509 5.298 0 1 FKAF CCOc1ccc(OCC)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587777816 FBCROBFOXYULAI-UHFFFAOYSA-N 374.440 5.820 0 1 FKAF CC(C)=CC[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816053 STNKGRXFJRIMCJ-SGTLLEGYSA-N 352.291 5.084 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)cc1 587932984 SNJUFSLQAUWALU-UHFFFAOYSA-N 357.457 5.598 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587952455 QWSPTHBKAXHSBP-GMXABZIVSA-N 374.834 6.282 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(F)c(Br)c2[nH]1 587952501 SHUVKWSBHMMJRW-SUNKGSAMSA-N 369.278 5.511 0 1 FKAF CC(C)(C)c1cccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587956083 SLCMYIFNFKSGQB-FQEVSTJZSA-N 354.497 6.235 0 1 FKAF COc1cccc([C@H](C)Nc2cc(-c3cc4ccccc4n3C)nc(C)n2)c1 653749381 VJUHDGGXZKAOSY-HNNXBMFYSA-N 372.472 5.125 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCc2cc(C)cc(C)c2)(C2CC2)N1 962953322 QQTWYGCDVRFMJZ-RLWLMLJZSA-N 372.556 5.947 0 1 FKAF Clc1cc(Cl)c2c(c1)[C@H](c1cc(-c3ccncc3)cs1)NCC2 963105303 IHPPMUXAGJYGMG-GOSISDBHSA-N 361.297 5.352 0 1 FKAF N[C@H](c1csc(NC(=O)Nc2cccc(Cl)c2)n1)C1CCCCC1 61896303 QSJGUZXUCAPLTE-HNNXBMFYSA-N 364.902 5.021 0 3 FKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 4536987 QBEFIFWEOSUTKV-KZNAEPCWSA-N 370.577 7.457 0 1 FKAF C[C@]12CC=C3[C@@H](CCC4=C(SCCl)C(=O)CC[C@]34C)[C@@H]1CCC2=O 13454684 IJJJTAZQYVCQBF-ICCDWZQGSA-N 364.938 5.265 0 1 FKAF CO[C@H](c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1 13822691 XUMOXZBAIWUITO-OAQYLSRUSA-N 361.466 5.611 0 1 FKAF Cc1cc(-c2cc(F)c(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@H]2C 29043325 PYHAWYQXRVXAHX-LLVKDONJSA-N 374.862 6.773 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N[C@H](C)C(=O)O)C(C)(C)CCC1 29570110 JSNAKIATBRGNKG-TURADEAHSA-N 371.521 5.107 0 1 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]32)C1 33833190 NLOJUKSOUNWUSW-SFLXVXIKSA-N 360.630 5.183 0 1 FKAF Cc1ccccc1-c1cccc(C(=O)N2CCc3c([nH]c4ccccc34)C2)c1 40865115 UDULKVRLXFUWKN-UHFFFAOYSA-N 366.464 5.342 0 1 FKAF CCCO[C@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1ccnc1 45337676 ASCCFFNEODFVAH-IAGOWNOFSA-N 352.931 5.735 0 1 FKAF Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2cc(Cl)ccc21 45371674 CZTXMHXBVNZMDI-UHFFFAOYSA-N 373.239 5.160 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCCCCCCc1ccccc1 49070201 AEXOWBPFMXSRIU-AKIFATBCSA-N 357.582 6.147 0 1 FKAF Cc1cc2c(cc1C)N[C@@H](c1ccsc1)C1=C(O)CC(C)(C)CC1=N2 104698819 FBOCZSBTNVUKKO-FQEVSTJZSA-N 352.503 6.236 0 1 FKAF Clc1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)ccn1 114752679 RDHDZYQPPWQRIT-UHFFFAOYSA-N 367.880 5.620 0 1 FKAF CCCc1ncc(Cc2cnc3ccccc3c2)c2cc(OC)c(OC)cc12 145159783 HUZZQEPXBQCKKU-UHFFFAOYSA-N 372.468 5.344 0 1 FKAF CCCN(CCC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SC 169309984 QLARJZJKDJTIOB-UHFFFAOYSA-N 372.582 5.802 0 1 FKAF O=C(O)C1(Sc2ccnc3ccc(-c4cccc(F)c4)cc23)CCC1 220402701 LSISNHXJJMUKSJ-UHFFFAOYSA-N 353.418 5.140 0 1 FKAF CC(C)C[C@@H]1CN2C(=NC[C@H]2C2CCCCC2)N1CC[C@H]1C[C@H]2CC[C@H]1C2 261167815 SGIBUXSDRUUCRC-ZRGHIBABSA-N 371.613 5.164 0 1 FKAF CC1(C)[C@H]2CC[C@@H](CNc3cc(Oc4cccc5ccccc45)ncn3)[C@H]1C2 299881735 ONLLDIMFIZFCOL-CMKODMSKSA-N 373.500 5.906 0 1 FKAF FC(F)(F)c1c(Br)ccc2nc(-c3occ4c3CCC4)[nH]c12 586905028 FZIBUSUVCKIVNZ-UHFFFAOYSA-N 371.156 5.093 0 1 FKAF CC(C)C[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586992207 ZPLLQCVAVGDSKG-CQSZACIVSA-N 357.453 5.303 0 1 FKAF Clc1ccc(C2(c3nc4c(Cl)c(Cl)cnc4[nH]3)CCC2)cc1 587075385 IFWYECAWANKREI-UHFFFAOYSA-N 352.652 5.388 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 587080398 MMEWNACKUWZAQB-ZDUSSCGKSA-N 356.706 5.050 0 1 FKAF C=CC(=O)Nc1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1 587244617 QBXGKNNBKIEMFO-UHFFFAOYSA-N 355.397 5.147 0 1 FKAF Cc1coc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358253 WFZXNSPKXXSVJD-IRLDBZIGSA-N 366.388 5.015 0 1 FKAF CSC(C)(C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370519 XRWBXUVYKCHMTG-NQIIRXRSSA-N 374.477 5.181 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(Cl)c1Cl)CC2=O 587467355 TYHIHBJDGZMQFX-HNNXBMFYSA-N 369.219 5.497 0 1 FKAF CCCCOc1ccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587483589 RIPKBDBOKVFVCZ-QHCPKHFHSA-N 368.473 5.404 0 1 FKAF O=C1C[C@]2(CCSc3c(F)ccc(F)c32)Oc2c1ccc1c2CCCC1 587510000 UCKLRKARFFKFRX-NRFANRHFSA-N 372.436 5.200 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cl)c2F)N1 587727578 OIJLEKHXCBEGLD-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2C(C)(C)C2(C)C)N1 587813833 FAIGVXTWTCGKOP-MLCYQJTMSA-N 354.307 5.020 0 1 FKAF Oc1ccccc1-c1cc(-c2ccsc2)cc(-c2ccc(Cl)cc2)n1 653735642 CSUKLVIXXVPGQE-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF C[C@@]1(C2CCC(C(F)(F)F)CC2)c2ccc(F)cc2C[C@H]2CCCN21 963102361 JZCZIYAMRBYOJA-IUSFWMAGSA-N 355.419 5.430 0 1 FKAF CC[C@H](C)[C@]1(c2ccccc2OC)c2ccc(F)cc2C[C@H]2CCCN21 963106208 JVAHUILUCWRHOY-XKDCRVNJSA-N 353.481 5.145 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12CCc1cc(Cl)c(Cl)cc12 963236891 GTBRVCCFCUEIML-LHSJRXKWSA-N 360.328 5.840 0 1 FKAF Clc1cc(Cl)cc(CNCCCc2nc3ccc(Cl)cc3[nH]2)c1 1772578184 OJJNLAQHLNHHMB-UHFFFAOYSA-N 368.695 5.246 0 1 FKAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](SC(=N)N)CC[C@]4(C)[C@@H]3CC[C@]12C 254100938 BVOSELRYSDLZIT-WKJIWXIGSA-N 374.594 5.150 0 3 FKAF CCCCC/N=c1\ccn([C@@H]2CCc3ccccc32)c2cc(Cl)ccc12 13741418 LJICSCKXMUQXCM-FNBPXTNNSA-N 364.920 5.921 0 1 FKAF CCn1c2ccccc2c2cc(/C=C/c3ccc(OC)nc3OC)ccc21 28702612 HMMZFPOCBBYYMS-PKNBQFBNSA-N 358.441 5.397 0 1 FKAF C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1cccc2ccccc12 36476019 FXTOJHSXIAZEKY-DQMJNTIXSA-N 372.512 5.232 0 1 FKAF CC(C)=CCc1c(O)cc2c(c1/C=C\c1ccccc1)C[C@@H](C(C)(C)O)O2 40892559 FSSUIGNVZSBFPI-BLSBEMRDSA-N 364.485 5.146 0 1 FKAF O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1 45287872 WROBXNIPOICBSO-OAQYLSRUSA-N 364.466 5.054 0 1 FKAF FC(F)(F)c1ccc(-c2cnc(Nc3cccc4cnccc34)o2)cc1 53229982 HNEULCHPLQURLY-UHFFFAOYSA-N 355.319 5.652 0 1 FKAF Clc1ccc(OCc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 64453643 FLSIVCXMEKZSTB-UHFFFAOYSA-N 362.816 5.636 0 1 FKAF Cc1cccc(Nc2nc(-c3ccnc(-c4cccc(F)n4)c3)cs2)c1 72114659 LZIBLOKPYPIKME-UHFFFAOYSA-N 362.433 5.458 0 1 FKAF CC(C)CCOc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](C1CCCCC1)N2 95588526 AFFXEPVBJJJLQC-WTIAFYNJSA-N 357.538 5.954 0 1 FKAF COc1ccc(Nc2[nH]c3ccccc3c3nc(C4CCCC4)nc2-3)cc1 101043227 SYCMCXKSCZYNPX-UHFFFAOYSA-N 358.445 5.473 0 1 FKAF CCCCC/C=C\C/C=C\C1(/C=C/C2(/C=C\CCCC(=O)O)CC2)CC1 169351536 MLRLNOUSKPAJPL-IQRZVIOISA-N 356.550 6.997 0 1 FKAF C[C@@H](Cc1ccccc1)N[C@H]1C[C@H]2c3ccccc3CCc3cccc1c32 169359719 DNSDIYWJKBRJKP-WDNCENIBSA-N 353.509 5.583 0 1 FKAF Oc1nc(CNc2ccc(Cl)cc2)nc2sc3c(c12)CCCCCC3 473084095 QIBRAMPSJCARRC-UHFFFAOYSA-N 373.909 5.321 0 1 FKAF CCOC(=O)c1cc2c3ccccc3n(Cc3ccc(Cl)cc3)c2cn1 473132465 SWIGZWPZQNNDDF-UHFFFAOYSA-N 364.832 5.068 0 1 FKAF CC[C@@]1(C)C[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586888877 JYHPMXJCBYZXHA-CPFSXVBKSA-N 363.177 5.128 0 1 FKAF FC(F)(F)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587074263 VNKIBUDOSNNSPA-UHFFFAOYSA-N 350.771 5.509 0 1 FKAF Cc1ccc2c3c(cc(-c4cn(C)c5ccccc45)nc13)-c1ccccc1C2=O 587097933 LQRIXEXBDGNDOO-UHFFFAOYSA-N 374.443 5.913 0 1 FKAF Cc1c([C@@H](C)c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099530 LRBTUDXYPYAPGQ-INIZCTEOSA-N 363.460 6.215 0 1 FKAF Cc1cc(Cl)cc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587168509 YPWUUTHMESZRHS-INIZCTEOSA-N 372.831 5.033 0 1 FKAF Fc1ccc2[nH]c(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c(Cl)c2c1 587175231 TXNROCFJLQPVTL-UHFFFAOYSA-N 357.669 5.060 0 1 FKAF COc1ccc(Br)c(C(=O)c2coc3ccc(Cl)cc23)c1 587275732 FBYXWMKOEFEMOW-UHFFFAOYSA-N 365.610 5.088 0 1 FKAF CCCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587366129 SGNFLEHCOHGNNP-UHFFFAOYSA-N 373.496 7.088 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccccc4)c(C)c1)[C@@H](C2)C3=O 587440213 BFHIXBKCOQLFFO-YADARESESA-N 372.420 5.285 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3cc(Cl)ccc13)CC2=O 587462881 RGPUFIRYGYXHKS-NRFANRHFSA-N 369.848 5.360 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CC[C@H]1C(C)C 587484493 SJQCLJUFURMFES-CYFREDJKSA-N 364.485 5.424 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCC(C)C)CC2=O 587486182 YQUJXDPWHKNBKM-JOCHJYFZSA-N 368.473 5.476 0 1 FKAF O=C1C[C@H](c2ccc(Cl)c(O)c2Cl)Oc2c1ccc1c2CCCC1 587497832 LBICBLYBNYRYAT-MRXNPFEDSA-N 363.240 5.284 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCSc3ccc(Cl)cc31)CC2=O 587498115 YQXRCOKEJUVKLY-HXUWFJFHSA-N 374.889 5.355 0 1 FKAF CC(C)[C@@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509295 YIGUVCDFBFTZMC-JOCHJYFZSA-N 356.412 5.360 0 1 FKAF CCc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)cc1 587629730 ZJMNOJZNJORXGP-UHFFFAOYSA-N 351.755 5.638 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(C)c(C)c3)c2c1 587641390 INCUPCPYANUFOA-GFCCVEGCSA-N 355.428 6.467 0 1 FKAF C[C@H]1C[C@@H](C)C[C@H]([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 587815422 MRKKIXXCJQLSSG-LBLUWSNCSA-N 368.334 5.410 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(C)(C)C[C@H]2C)N1 587822655 LUMODXDHFOJYSD-FMTVUPSXSA-N 354.307 5.164 0 1 FKAF COc1ccc(/C=C\Cc2nc3cccc(C(C)(C)C)c3[nH]2)c(OC)c1 587928344 AIAKIFNMZURDND-VURMDHGXSA-N 350.462 5.134 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 587952774 XBSMOKMKXNVTKM-RBOXIYTFSA-N 364.873 5.049 0 1 FKAF Cc1ccc([C@@]2(c3cccs3)NCCc3cc(C)c(F)cc32)cc1C 962094044 RCXCMCQWXKRVES-JOCHJYFZSA-N 351.490 5.250 0 1 FKAF CCOc1cccc2ccc([C@@H]3N[C@H](CC)Cc4c3[nH]c3ccccc43)nc12 962953239 QMNFTYCOVAIRLQ-GYCJOSAFSA-N 371.484 5.129 0 1 FKAF Cc1sc2c(c1C)CCN[C@@H]2c1cc(C(F)(F)F)nc2ccccc12 963011312 PCWACDPLWSEUBA-QGZVFWFLSA-N 362.420 5.167 0 1 FKAF C[C@@](O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1 1772600549 JHLFJHFGVLMJOV-AREMUKBSSA-N 373.540 5.392 0 1 FKAF CN(C)c1ccc2c(ccc(/C=C/c3ccc(Cl)c(Cl)c3)[n+]2C)c1 1911573091 VUTSTKHSOVHBAI-QPJJXVBHSA-N 358.292 5.208 0 1 FKAF CC(C)=CCC=C(C)[C@H]1CC=C(C)CCC=C(C(=O)O)CCC=C(C)CC1 2356388631 LXXOWRXRMRYPKN-HSZRJFAPSA-N 370.577 7.553 0 1 FKAF N[C@@H](c1csc(NC(=O)Nc2ccccc2Cl)n1)C1CCCCC1 61906970 WIAMGDCJQDRGIF-OAHLLOKOSA-N 364.902 5.021 0 3 FKAF Cc1ccc(-c2nc3ccc(Br)cn3c2CC(C)(C)C)cc1 61921024 RLPCYJGFSYMAQX-UHFFFAOYSA-N 357.295 5.661 0 3 FKAF Clc1cccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 5776947 WCFVPOYZUXYKIX-UHFFFAOYSA-N 373.070 5.854 0 1 FKAF Clc1ccc2c(c1)[C@H]1NCC[C@H]1[C@@H](c1c[nH]c3ccc(Cl)cc13)N2 6567458 LRXPVHXBVVJXRU-HQOQDVMHSA-N 358.272 5.292 0 1 FKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCCc1ccc2ccccc2c1 13833450 SOIHAKJVDUXWEA-UHFFFAOYSA-N 374.528 6.451 0 1 FKAF Cc1cccc(-c2nn3c(c2-c2ccnc4cc(Cl)ccc24)CCC3)n1 27191096 YESUBTROVJOXSV-UHFFFAOYSA-N 360.848 5.068 0 1 FKAF COc1cccc(Oc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(C)CC4)c1 28230113 WLVLTEKEJBBUJF-QPTUXGOLSA-N 363.501 5.176 0 1 FKAF COc1ccc2cc(-c3ccc(F)c(F)c3)c(=O)oc2c1CCC(C)C 64573431 IJNRPURMUBZTRI-UHFFFAOYSA-N 358.384 5.335 0 1 FKAF CC(C)(C)c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F 66103368 RLHGHDKZVCGBAY-UHFFFAOYSA-N 371.459 6.038 0 1 FKAF FC(F)(F)c1cccc(CNCc2coc(-c3ccccc3Cl)n2)c1 72185051 YHIOUVDMDMCIDN-UHFFFAOYSA-N 366.770 5.304 0 1 FKAF Fc1ccc(-c2cc(-c3nc4ccc(F)cc4[nH]3)c3ccccc3n2)cc1 84707050 UDQKYQYNXDHWGR-UHFFFAOYSA-N 357.363 5.723 0 1 FKAF CC(=O)O[C@H]1C[C@@]2(C)C(C)=CCC[C@@H]2[C@@](C)(CC/C(C)=C\C(=O)O)[C@@H]1C 85841459 DJEUHRRTZPCWNH-FDTASVALSA-N 362.510 5.138 0 1 FKAF COc1cc(Cc2c(-c3ccccc3)[nH]c3ccccc23)cc(OC)c1OC 95593464 WUMNMBFXRLJISW-UHFFFAOYSA-N 373.452 5.452 0 1 FKAF Clc1cccc(Nc2ncnc3ccc(NCc4cccs4)cc23)c1 96934213 DLJNCPISJNSXMU-UHFFFAOYSA-N 366.877 5.700 0 1 FKAF CCCCCn1c2ccccc2c2cc(C(=O)OCc3ccncc3)ccc21 96938076 PDEOQEMBBCYPSY-UHFFFAOYSA-N 372.468 5.737 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(C)c(C)c3[nH]2)c1 586882188 MEPTXSZJAZGUMW-UHFFFAOYSA-N 354.453 5.695 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2cc(Br)c(C)c(C)c2[nH]1 586883574 KYEBYLGTSZTYPR-UHFFFAOYSA-N 365.274 6.071 0 1 FKAF Cc1ccc(CSCCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 586971402 WVTUUFHBCKYDDP-UHFFFAOYSA-N 350.409 5.366 0 1 FKAF CC(C)(C)c1cccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c12 586982364 KJIPTRGPMQGPEM-UHFFFAOYSA-N 357.251 5.102 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2nc(Cl)c[nH]c-2n1 587073350 CKQFDEBIUFVNBR-UHFFFAOYSA-N 355.228 5.254 0 1 FKAF FC(F)(F)c1cccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587085617 WZKPDXDWKIWBEZ-UHFFFAOYSA-N 374.753 5.359 0 1 FKAF Fc1cccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 587124356 WBCJJQYNBKULDE-UHFFFAOYSA-N 356.344 5.034 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4ccc(OC(F)(F)F)cc4[nH]3)C2)c1 587131451 IPDFXWZLEKPOOJ-UHFFFAOYSA-N 368.305 5.343 0 1 FKAF CC[C@H](C)[C@@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208720 YQIVHZIVJNNVEO-UGSOOPFHSA-N 355.437 5.091 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2cc(Cl)cc(F)c2[nH]1 587241575 WZIZGBXCZNDTNP-UHFFFAOYSA-N 367.811 5.775 0 1 FKAF O=C(c1c(F)cc(Br)cc1F)c1coc2ccc(Cl)cc12 587277771 AZTJNZPIMUEZNB-UHFFFAOYSA-N 371.564 5.358 0 1 FKAF C[C@@H]1CCC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]1C 587355006 PDLNMWXEDFICDF-WNSHACJQSA-N 354.421 5.085 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1c(OC(C)C)ccc4ccccc14)[C@@H](C2)C3=O 587442855 ZCICZXPBPPZZEX-MHECFPHRSA-N 374.436 5.124 0 1 FKAF O=C1C[C@@]2(CC=C(c3ccc(F)cc3)CC2)Oc2c1ccc1c2CCCC1 587508490 PTRQAKWPGBRBSM-DEOSSOPVSA-N 362.444 5.676 0 1 FKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C1CCCC1 587514548 ZMSFEALRQKPDMC-HSZRJFAPSA-N 363.501 5.805 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c([C@H](C)NC(=O)OC(C)(C)C)c(CCCO)c2c1 587643658 VUCDTDBJHMDQQB-CABCVRRESA-N 374.525 5.192 0 1 FKAF CC1=C[C@]2(CC(C)(C)C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587822696 MCKSQFLUGJBQSZ-KPZWWZAWSA-N 352.291 5.084 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ccsc1 587860803 DMBJMNWYLDBRPJ-UHFFFAOYSA-N 353.274 5.365 0 1 FKAF c1ccc(Oc2ccccc2Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587949460 HGLDNAUCOFQBRD-UHFFFAOYSA-N 372.424 5.107 0 1 FKAF COc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Cl 587955575 JIJAFJYIXZESCS-KRWDZBQOSA-N 362.860 5.600 0 1 FKAF CC(C)=CCC/C(C)=C/c1nc2c(Br)cnc(Cl)c2[nH]1 587969533 YZMHYLXCDVYIPJ-JXMROGBWSA-N 354.679 5.524 0 1 FKAF Cc1ccc(Oc2ccc([C@@H]3c4c(F)cccc4C[C@H]4CCCN43)cc2)cc1 963111074 QZGOKMZOIHJOIR-CJFMBICVSA-N 373.471 6.036 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cccn1-c1ccc(F)cc1F 963224932 FAVVCZQCDZJQCP-HJPURHCSSA-N 366.455 5.502 0 1 FKAF Cc1cc(O)c(Cl)cc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 1772611109 DTBQJHPUJVUHNS-UHFFFAOYSA-N 374.831 5.441 0 1 FKAF Clc1ccc(-c2cc([C@H](c3ccc(Cl)cc3)n3ccnc3)c[nH]2)cc1 1857567318 SKXFVZOXNMCOSN-FQEVSTJZSA-N 368.267 5.823 0 1 FKAF CC(C)N(CC1=C(Cl)c2cc(Br)ccc2SC1)C(C)C 1857648823 AVHYZIJICIYDCB-UHFFFAOYSA-N 374.775 5.624 0 1 FKAF Clc1ccc(-c2nc3c(cc(Nc4ccccc4)c4ccccc43)o2)cc1 1857749875 WPRIOTRLYVNJBJ-UHFFFAOYSA-N 370.839 7.045 0 1 FKAF CC1(C)[C@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H](C(=O)O)CC[C@@]43C)[C@]2(C)CC[C@H]1O 2356395459 PTSOMORPIOAPGG-CQCDOAQGSA-N 362.554 5.117 0 1 FKAF CC(=O)O[C@@H](C=C(C)CC=CC(C)=CCCc1ccoc1)Cc1ccoc1 2356552515 SQBWRPUXDPULSZ-QHCPKHFHSA-N 368.473 5.819 0 1 FKAF COc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1F 13813879 FMSIUFSGLWUWRV-UHFFFAOYSA-N 374.411 5.892 0 3 FKAF aggregator CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)C(F)(F)F 13531914 PLWROONZUDKYKG-MLFLMRJSSA-N 356.472 7.264 0 1 FKAF Clc1ccc(CN2CC=C(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 26286887 COYPPYFVEXHGJK-UHFFFAOYSA-N 358.272 5.159 0 1 FKAF CN1c2cc3nc(Br)cc(C(F)(F)F)c3cc2CCC1(C)C 27406754 VVYNZIWKACJBBC-UHFFFAOYSA-N 373.216 5.177 0 1 FKAF C=C/C=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C 27639553 ZLFZRFFZFFSSEP-ZJWRHOPCSA-N 356.594 7.866 0 1 FKAF Clc1ccc2c(c1Cl)CN(CCCCCCc1ccccc1)CC2 27863217 TXSSNEORLADLGJ-UHFFFAOYSA-N 362.344 6.155 0 1 FKAF CC(C)C(=O)SCCCCCCNC(=O)c1ccc2ccccc2c1 28124377 WSZVYBCNPNBTDM-UHFFFAOYSA-N 357.519 5.046 0 1 FKAF Oc1ccc(-c2ccc(F)cc2F)cc1-c1nnc(NC2CCCCC2)o1 28712860 LQVRYQKQZNQBES-UHFFFAOYSA-N 371.387 5.132 0 1 FKAF CC1(C)CCC(C)(C)c2cc([C@@]3(C)O[C@H]3c3ccc(C(=O)O)cc3)ccc21 34110889 MJVVETLXZJGUTO-GBXCKJPGSA-N 364.485 5.721 0 1 FKAF COc1ccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc23)cc1 72116536 YRZPPJGCNIBLOX-UHFFFAOYSA-N 363.367 5.327 0 1 FKAF CC(C)C[C@H](O)c1nnc(Nc2cccc(Oc3ccccc3)c2)s1 82078317 XGVCZSLABAUDBS-KRWDZBQOSA-N 355.463 5.154 0 1 FKAF Oc1ccc(-c2noc(-c3ccc(O)cc3)c2/C=C/c2cccc(O)c2)cc1 84690232 WVLANTDFOHCZBL-YIXHJXPBSA-N 371.392 5.296 0 1 FKAF CC(C)C(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 97975990 PYHZLMFTKOTWGQ-QPJCPEQFSA-N 358.522 5.086 0 1 FKAF biogenic Clc1ccc([C@]23CCNC[C@]2(Cn2ccc4ccccc42)C3)cc1Cl 101965149 AJRLLMMPWPRYOM-LEWJYISDSA-N 371.311 5.270 0 1 FKAF Cc1ccc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2c1 586981641 KKVOWGAORPKYRK-UHFFFAOYSA-N 373.294 5.726 0 1 FKAF FC(F)(F)c1cc(Br)c2[nH]c(/C=C/c3ccsc3)nc2c1 587024754 BPKSOLNDEOQGHH-OWOJBTEDSA-N 373.197 5.576 0 1 FKAF Cc1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1 587048312 SEEMIEFILMESAT-UHFFFAOYSA-N 353.252 6.512 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C=C(Br)CC3 587102100 QCPJZJPTIOJUBU-UHFFFAOYSA-N 362.226 5.128 0 1 FKAF Cc1cc(Cl)cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c12 587166127 TUPRAHMWCDSMKD-UHFFFAOYSA-N 353.828 5.645 0 1 FKAF CC(C)=CCC/C(C)=C\CC/C(C)=C\CCc1cc2c3c(cccc3n1)CC2 587212485 AYORMXQIVNZSBA-RVNPNOHGSA-N 373.584 7.685 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C)[C@H](C)CC3)c1 587367837 XRPULMUQYXUREI-CABCVRRESA-N 357.453 6.342 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1C[C@@H]1c1ccc(F)cc1)CC2=O 587472951 WZJWHLXPCNUQRX-HMFYCAOWSA-N 354.421 5.011 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(CCc1c[nH]c3ccccc13)CC2=O 587482733 KAHPTNHZLZUCNI-HSZRJFAPSA-N 363.457 5.183 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccsc3)o2)Oc2c1ccc1c2CCCC1 587534616 DBQPXNWHZHCDLT-HXUWFJFHSA-N 350.439 5.593 0 1 FKAF CC1=C(C)C[C@](C)([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587819785 NNMZTLSHHXKZMS-ZNZDAUKMSA-N 366.318 5.690 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2coc3ccccc23)N1 587828416 NHLFFJTUCWOSMH-WYRIXSBYSA-N 374.253 5.132 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc(OC)cc4[nH]3)c2C)c(OC)c1 587929361 OBPDCTWMGOWSPZ-UHFFFAOYSA-N 374.440 5.231 0 1 FKAF Cc1ccc2c(ccc3nc(Cc4ccccc4Oc4ccccc4)[nH]c32)n1 587949219 BYMMVWPYTVNJEC-UHFFFAOYSA-N 365.436 5.803 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587951116 JFGYYCYYKAQJKW-JTQLQIEISA-N 358.228 5.558 0 1 FKAF Cc1cccc([C@@]2(c3ccccc3C)c3ccc(F)cc3C[C@H]3CCCN32)n1 963099755 PRERPOSBLVFUBA-PXDATVDWSA-N 372.487 5.150 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1coc(-c2cccc(Cl)c2)n1 963111202 NHQDXLOURFJXGY-YLJYHZDGSA-N 368.839 5.244 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C=C(OCC)OCC)C(F)(F)F 963244625 XBJPDKUDKIKRJO-DNVCBOLYSA-N 371.443 5.015 0 1 FKAF Cc1ccc(F)c(-c2cc(F)cc([C@@H](CC(=O)O)c3ncc(C)s3)c2)c1 1772574466 NCODPLDIOQOJOU-QGZVFWFLSA-N 373.424 5.312 0 1 FKAF CN[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356545948 UEKVZUNZRGTHJS-SNVSEMBOSA-N 360.630 5.183 0 1 FKAF CC(=O)c1c(O)cc(OCC=C(C)CCC=C(C)C)c2c1OC(C)(C)C=C2 2356623219 DPMHJMPSIKBEBR-UHFFFAOYSA-N 370.489 5.851 0 1 FKAF CC1=C2C[C@@]3(C[N@]4C[C@H]4CNC4CCCCC4)CC[C@H](C)[C@@]2(CC1)C3(C)C 2356771375 WIMITFNNPJBCPT-ZRKNYHCSSA-N 370.625 5.536 0 1 FKAF CC1=CN2C(=NC(/C=C/c3ccc(C)cc3)=C[C@@H]2c2ccc(C)cc2)S1 2382231553 AKAOBYYLHJCLKU-KCQSEKJDSA-N 358.510 6.222 0 1 FKAF COc1cccc([C@H]2CCCN2Cc2nc(-c3sccc3C)oc2C)c1 13593907 RTUWXPJUIDPBCJ-LJQANCHMSA-N 368.502 5.366 0 3 FKAF Cc1cc(C)c(-c2nc3cc(C(=O)O)ccc3n2C2CCCCC2)c(C)c1 3626286 HAKZNWGRHQJUBQ-UHFFFAOYSA-N 362.473 5.832 0 1 FKAF Clc1ccccc1C1=NN(c2ccccc2)[C@@H]2c3ccccc3OC[C@@H]12 5823910 QXZYQONISJXTPA-PGRDOPGGSA-N 360.844 5.314 0 1 FKAF Cn1cc(-c2ccccc2)c([C@@H](c2cccc3ccccc23)n2ccnc2)c1 5893276 NHZKKSABZOXJHI-RUZDIDTESA-N 363.464 5.680 0 1 FKAF Cc1ccc2cc(-c3cc(NCCN(C)C)c4ccccc4n3)ccc2c1 27310402 RPYIWFRQVAPZRG-UHFFFAOYSA-N 355.485 5.337 0 1 FKAF Cc1ccc(-c2nc3sc(C(F)(F)F)nn3c2-c2ccccc2)cc1 28975706 FJEHTCLWXIAKMM-UHFFFAOYSA-N 359.376 5.452 0 1 FKAF CC1=C(/C(O)=N/c2ccccn2)[C@@H](c2ccsc2)C2=C(O)CCCC2=N1 34858568 CDMIWABVYXMPJM-GOSISDBHSA-N 365.458 5.240 0 1 FKAF Cc1cc(Nc2ccccc2-c2ccccc2)c2c(ccc3[nH]cnc32)n1 39214810 YCXWETJSWIMQBV-UHFFFAOYSA-N 350.425 5.830 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N1CCCC1 40802018 JCCULSFRZNYFOY-DOFZRALJSA-N 357.582 6.755 0 1 FKAF CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3ccc(Cl)cc3)CC1)C2 40894965 OAFJLOWOHQEVPD-ZNLUXHQJSA-N 360.973 5.109 0 1 FKAF O=C(C1CCC1)[C@@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40977176 NHGDWURBLGPZPM-NRFANRHFSA-N 357.409 5.017 0 1 FKAF Clc1cc(Cc2ccccc2)nc(SCCCc2ccccc2)n1 49050061 VYNGMNGMOFGISE-UHFFFAOYSA-N 354.906 5.446 0 1 FKAF COc1cccc([C@H]2CC(c3ccc(O)cc3)=Nc3ccccc3S2)c1 49112738 MWVJGYDTYUJMMS-JOCHJYFZSA-N 361.466 5.759 0 1 FKAF COCCn1c(-c2ccc(C(C)C)cc2)nc2c(OC)ccc(Cl)c21 58576600 XVOKWPCJXXJPPO-UHFFFAOYSA-N 358.869 5.135 0 1 FKAF Cc1csc([C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)c1 72181204 YIILLTHQHVJGCZ-BQLVWXCYSA-N 368.542 5.506 0 1 FKAF Clc1ccc(CNc2cc(Oc3cccc4ccccc34)ncn2)cc1 82068423 GBOILQQBCBJJCH-UHFFFAOYSA-N 361.832 5.688 0 1 FKAF CC(=O)Oc1ccc(O)c(C[C@@H]2C(C)=CC[C@@H]3C(C)(C)CCC[C@@]23C)c1O 85950204 LISRCGYCVNHXKP-LLBVYWAGSA-N 372.505 5.364 0 1 FKAF biogenic Cc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1F 95582466 OOVUCNUFCUAQAM-UHFFFAOYSA-N 351.490 5.118 0 1 FKAF Cc1cccc2c1OCN(c1ccc3oc(-c4ccccc4)cc(=O)c3c1)C2 103172346 GWIRMFFRHMLLCL-UHFFFAOYSA-N 369.420 5.125 0 1 FKAF CC(C)N(CC[C@H](O)c1ccc2ccccc2c1)Cc1ccc(F)c(F)c1 142049699 KQPXXBWNLXJRGL-QHCPKHFHSA-N 369.455 5.452 0 1 FKAF in-vivo CC[C@@H]1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 261071985 AFKOBULTASCVMS-ZVDOUQERSA-N 368.565 5.206 0 1 FKAF Cc1ccc(/C=C\C2=C[C@@]3(C)C[C@@]2(C)[C@H](c2ccc(C)cc2)CC3=O)cc1 299813938 VNDABGLWEBDVEO-OQWWULSQSA-N 356.509 6.416 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1)[C@H](CSCC)n1cnc2ccccc21 473097886 DLLKNDMLFNNWLF-VQTJNVASSA-N 374.937 5.762 0 1 FKAF c1ccc(Sc2ccc3nc(CSCc4ccsc4)[nH]c3c2)cc1 587026568 VPZJDMWMMSDNNP-UHFFFAOYSA-N 368.552 6.209 0 1 FKAF Oc1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(Cl)c1 587055176 UMDFYQFTCHGJHM-UHFFFAOYSA-N 363.122 5.141 0 1 FKAF Clc1ccc(CC2(c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)cc1 587073189 GGNSDMZTFPVIIF-UHFFFAOYSA-N 351.664 5.797 0 1 FKAF Nc1ccc(Cl)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104880 YIOZOIGIRSPQHF-UHFFFAOYSA-N 356.812 5.349 0 1 FKAF Fc1ccc(/C=C(\c2nc3cc(Cl)c(F)cc3[nH]2)c2cccs2)cc1 587164496 SJCKVTOKPNXUMH-JYRVWZFOSA-N 372.827 6.145 0 1 FKAF COc1cccc(-c2c(C(C)C)c(CC(C)=O)nc3c2oc2ccccc23)c1 587364513 CEEWUGSHEKWDGY-UHFFFAOYSA-N 373.452 5.912 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C(F)(F)F)ccc1Cl)O2 587382761 RZFMULHVPQWYGG-KRWDZBQOSA-N 369.770 5.130 0 1 FKAF O=C1C[C@@H](c2cccc(F)c2C(F)(F)F)Oc2c1ccc1c2CCCC1 587505557 HUMCXNMMTKWXRN-KRWDZBQOSA-N 364.338 5.430 0 1 FKAF O=C1C[C@H](c2ccc(N3CCCC3)c(F)c2)Oc2c1ccc1c2CCCC1 587506029 NTVVLBCRNBBERC-JOCHJYFZSA-N 365.448 5.011 0 1 FKAF O=C1C[C@@H](c2cscc2Br)Oc2c1ccc1c2CCCC1 587534080 ASNALFAMEYOZRX-INIZCTEOSA-N 363.276 5.096 0 1 FKAF Cc1cc2c(cc1C)[C@@]1(CCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587535555 KSWMLNMTAIUKET-XMMPIXPASA-N 362.469 5.216 0 1 FKAF CC/C=C(\c1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821920 YRPIITRJSYIYJN-ZOQOKKBUSA-N 374.297 5.657 0 1 FKAF Fc1cccc(CC[C@@]2(C3CC3)c3c(F)cccc3C[C@H]3CCCN32)c1 963104709 IIHAUMCJBVCUKS-NFBKMPQASA-N 353.456 5.223 0 1 FKAF CCCCCCc1ccc([C@@H]2c3ccccc3C[C@@H](C)N2CCC)s1 963226800 HRQZIYYEOQJLEM-JPYJTQIMSA-N 355.591 6.617 0 1 FKAF CCOc1ccccc1C[C@H]1COC[C@@H]1Cc1ccc(Cl)c(Cl)c1 1772576858 WYSZABXJPHPXTO-IRXDYDNUSA-N 365.300 5.440 0 1 FKAF Cc1cccc(C)c1-c1cccc(OCc2ccc(CCC(=O)O)s2)c1 1772651290 XJLBHAVBCXJGHM-UHFFFAOYSA-N 366.482 5.628 0 1 FKAF Cc1ccc2occ(-c3cc4cc(Br)ccc4oc3=O)c2c1 1857583589 PAMLBHWONLBJCF-UHFFFAOYSA-N 355.187 5.277 0 1 FKAF Cc1nc2ccccc2c(-c2ccccc2F)c1[C@H](OC(C)(C)C)C(=O)O 1857656596 FIMJQYJRKPSWNY-FQEVSTJZSA-N 367.420 5.290 0 1 FKAF Fc1ccc2c(CCNCc3cccc(OCc4ccccc4)c3)c[nH]c2c1 2382227410 VQEORJKXFQOKPB-UHFFFAOYSA-N 374.459 5.218 0 1 FKAF COc1ccc(-c2sc3ccc(OC)cc3c2-c2ccc(O)cc2)cc1 61969020 BXIKHSRSPRNWBN-UHFFFAOYSA-N 362.450 5.958 0 3 FKAF C[C@@]1([C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CCC(=O)O1 253961164 KYUZKRJIOGSDGT-ZVOQSIGPSA-N 372.549 5.022 0 3 FKAF aggregator CCCC/C=C/[C@@H](NC(=O)OCc1ccccc1Cl)c1ccccc1 5977944 CKYVNJQXLABTRZ-WIRORWGXSA-N 357.881 6.054 0 1 FKAF COc1ccc(-c2csc(Nc3cc4ccccc4cn3)n2)cc1OC 13141347 ZKNLNSCYHOXWNE-UHFFFAOYSA-N 363.442 5.119 0 1 FKAF C[C@H](Cc1ccccc1)N[C@H]1C[C@@H]2c3ccccc3CCc3cccc1c32 13685326 DNSDIYWJKBRJKP-XYHYBEPMSA-N 353.509 5.583 0 1 FKAF CCCC/N=c1\ccn(CCCc2ccccc2)c2cc(Cl)ccc12 13741423 YVFORDXDHZVWFF-DARPEHSRSA-N 352.909 5.628 0 1 FKAF c1ccc([C@@H]2NC(CC3Cc4ccccc4C3)=N[C@@H]2c2ccccc2)cc1 28122113 OOPHECGTAJAKST-PLQXJYEYSA-N 352.481 5.276 0 1 FKAF CCOC(=O)c1ccc(NCCCCCCCCc2ccccc2)cc1 28772322 CBYXFOBAWNXUAT-UHFFFAOYSA-N 353.506 5.859 0 1 FKAF C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CC[C@@]1(O)c1ccccc1 40395005 GRXVSGFWVGQEOE-NLFFAJNJSA-N 357.497 5.006 0 1 FKAF CC(C)[C@]12CC[C@@]3(CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]3C1)[C@@H](CN)C2 64696521 CFSIKOAGZWBLPX-CDSWCQBOSA-N 361.570 5.085 0 1 FKAF Cc1nc(-c2cnc(NCc3ccccc3)nc2-c2ccccc2F)oc1C 82175981 KVNLBBSSBRDUFG-UHFFFAOYSA-N 374.419 5.167 0 1 FKAF COc1ccc([C@H](CC(=O)c2cc3ccccc3o2)Nc2ccccc2)cc1 103174590 HIHLZCFBFDZXKA-NRFANRHFSA-N 371.436 5.868 0 1 FKAF COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3Cl)O[C@H]2C)c(OC)c1 253637707 CNLAPZPTMSMSFU-MAAWUACBSA-N 367.272 5.644 0 1 FKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(N)c1 586997895 WOWULAJOYGIKPV-UHFFFAOYSA-N 350.421 5.312 0 1 FKAF Cc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1Cl 587005376 GGVOXZDJHQTEQO-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF COc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1F 587016562 YBZKQUGVHFHAJK-UHFFFAOYSA-N 359.813 5.155 0 1 FKAF Fc1cc2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2cc1-n1cccn1 587053226 AANFVUDOCPHOMU-AATRIKPKSA-N 373.218 5.365 0 1 FKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(F)cc(F)c4[nH]3)c2)cc1 587067799 PRNSUAISRKZRHX-UHFFFAOYSA-N 370.786 5.321 0 1 FKAF Fc1cc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2cc1Cl 587092632 XOLYVBPKOINLKN-UHFFFAOYSA-N 361.751 5.072 0 1 FKAF Cc1ccc(/C=C/c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1F 587146814 XKWJFBNLGXUTQQ-SNAWJCMRSA-N 367.168 5.222 0 1 FKAF Fc1ccc(/C=C(/c2nc3ccc(Cl)nc3[nH]2)c2cccs2)cc1 587164296 POJWZUNUISHPID-JLHYYAGUSA-N 355.825 5.401 0 1 FKAF COc1cccc(-c2c(C(C)C)c(CC(C)C)nc3c2oc2ccccc23)c1 587365623 MVXMQKLKCSQWDB-UHFFFAOYSA-N 373.496 6.979 0 1 FKAF COc1cccc(-c2c(C[C@H]3CCOC3)cnc3c2oc2ccccc23)c1 587366173 LZVWOEAVHRZQQM-OAHLLOKOSA-N 359.425 5.236 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccc(O)c(C)c3)cc1)O2 587402670 BEEHDEOUQKYAJX-DEOSSOPVSA-N 373.452 5.139 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3c(Cl)cccc31)CC2=O 587462690 QKWBKYDTKZLNHP-OAQYLSRUSA-N 372.848 5.031 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)c(C(C)C)c1)CC2=O 587482458 TXTNRDOZPHNCDY-QFIPXVFZSA-N 368.473 5.573 0 1 FKAF O=C1C[C@@]2(CCc3c2ccc(Cl)c3Cl)Oc2c1ccc1c2CCCC1 587499768 MYNJHBGDVMAAHE-OAQYLSRUSA-N 373.279 5.679 0 1 FKAF C[C@]1([C@H]2C[C@H]2c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587507723 RVYNRUCPRYHKEJ-SFYKDHMMSA-N 366.888 5.746 0 1 FKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCCC1 587516188 ZWARQKRIXLZPKB-HSZRJFAPSA-N 361.485 5.181 0 1 FKAF C[C@@]1(C2(c3ccccc3)CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587522619 JJGOGMLXTPLANL-DEOSSOPVSA-N 360.497 5.801 0 1 FKAF O=C1C[C@H](c2cnc(-c3cccs3)s2)Oc2c1ccc1c2CCCC1 587535865 OWFRXWFENPUIEE-MRXNPFEDSA-N 367.495 5.457 0 1 FKAF Cc1c(-c2ccc(Br)cc2Cl)[nH]c2cc(Cl)c(F)cc12 587628901 UJJJJUJNQNDJSV-UHFFFAOYSA-N 373.052 6.352 0 1 FKAF CCc1ccc(C(=O)c2c(C(F)F)[nH]c3cc(Cl)c(F)cc23)cc1 587629684 XKLZASYTPNBQIZ-UHFFFAOYSA-N 351.755 5.691 0 1 FKAF CC[C@@]1(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587959570 HALFPPBYGRJDEB-FQEVSTJZSA-N 373.283 5.638 0 1 FKAF O=C1CCC(c2ccccc2)(c2nc3cccc(C(F)(F)F)c3[nH]2)CC1 587969993 CVMAYWVRLALYTF-UHFFFAOYSA-N 358.363 5.011 0 1 FKAF Cc1cccc([C@]2(c3ccccc3C)c3ccc(F)cc3C[C@@H]3CCCN32)n1 963099748 PRERPOSBLVFUBA-OFVILXPXSA-N 372.487 5.150 0 1 FKAF CC1(C)CC(Nc2ccccc2N)=C[C@]2(C1)NCCc1cccc(Cl)c12 963391678 WSKXXWGPTHQDOV-JOCHJYFZSA-N 367.924 5.079 0 1 FKAF c1ccc(C[C@@H]2CN(Cc3ccccc3)CCCN2Cc2ccccc2)cc1 1772577147 VCXGMWMEDVHRTD-AREMUKBSSA-N 370.540 5.006 0 1 FKAF Cc1[nH]c2c(c1-c1nnc(-c3ccccc3)o1)Cc1cc(C3CC3)ccc1-2 1772654256 JFEOULZXKIUOHU-UHFFFAOYSA-N 353.425 5.489 0 1 FKAF O=C(/C=C/c1ccccc1)Oc1ccc(-c2cc(=S)ss2)cc1 1857646642 GXOYSGIVWSHLCN-IZZDOVSWSA-N 356.493 5.825 0 1 FKAF CCOc1ccc(C(C)=O)cc1-c1cccc(N2CCCC(F)(F)C2)c1 1857761409 SEPRJZNGZUHEJW-UHFFFAOYSA-N 359.416 5.190 0 1 FKAF CCCCCc1cc(OC(C)=O)cc2c1C(C)(C)C1=CC[C@H](C)C[C@H]1O2 2356283756 AOEQFMLAFUZCHK-MGPUTAFESA-N 356.506 5.740 0 1 FKAF COc1ccccc1CCn1cnc(-c2ccccc2F)c1CC(C)C 169303191 ZZLHDTMPGVVFSE-UHFFFAOYSA-N 352.453 5.139 0 3 FKAF Cc1ccc(Nc2nc(C)nc3sc(C)c(C)c23)c(Br)c1 756831 ABGNSQUGZYWPDB-UHFFFAOYSA-N 362.296 5.431 0 1 FKAF O=C([C@H]1C[C@@H]1CCCCOc1ccc(-c2ccccc2)cc1)C(F)(F)F 13860575 ITSACUVEMJVYBM-HKUYNNGSSA-N 362.391 5.670 0 1 FKAF CCCCCC[C@@H](C)CCCCCCCCCCC[C@@H]1N[C@@H](CO)[C@@H]1O 14638468 MXSVVKSZJQKNBC-WZYRSQIMSA-N 369.634 5.578 0 1 FKAF CCC(=O)c1cc2c(o1)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]1(C)C2 27429896 BRNOSSNGWQHLRG-RFAJLIJZSA-N 370.533 5.191 0 1 FKAF OC1(c2ccccc2)CCN(CCC(c2ccccc2)c2ccccc2)CC1 28708064 VJCUYHKRHUNZBN-UHFFFAOYSA-N 371.524 5.192 0 1 FKAF in-vivo Fc1ccc2c(c1)N(CCCN1CCCCC1)c1cc(F)ccc1CC2 28896111 QQZZINQHUXQOLO-UHFFFAOYSA-N 356.460 5.078 0 1 FKAF CC1(C)CCC(C)(C)c2cc([C@@]3(C)O[C@@H]3c3ccc(C(=O)O)cc3)ccc21 34110892 MJVVETLXZJGUTO-HYBUGGRVSA-N 364.485 5.721 0 1 FKAF O=c1c2ccccc2c(Cc2cccc3ccccc23)nn1-c1ccccc1 40763466 AOECXNKPXTXWFG-UHFFFAOYSA-N 362.432 5.130 0 1 FKAF Fc1ccccc1NC(=S)Nc1nc2c(ccc3ccccc32)s1 103293702 CRFBEZYHUISVDI-UHFFFAOYSA-N 353.447 5.398 0 1 FKAF c1ccc2c(CCCCN3[C@H]4CC[C@H]3c3c([nH]c5ccccc35)C4)c[nH]c2c1 253701546 XNMOWIHSJLFIBW-UUOWRZLLSA-N 369.512 5.734 0 1 FKAF C[C@H]1CCc2sc(-c3nc4c(OCc5ccccc5)cccc4[nH]3)cc2C1 587034377 TYNHDKGZWSSJRB-HNNXBMFYSA-N 374.509 5.995 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(F)cc(Cl)c1C3 587103689 ILBBNJKTNFEOQP-UHFFFAOYSA-N 371.798 5.810 0 1 FKAF COc1ccc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c2n1 587147506 RAXQVECNYPCHJR-UHFFFAOYSA-N 367.811 5.401 0 1 FKAF Cc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Cl 587148386 CJMAIUPPTOWTJV-HXUWFJFHSA-N 365.839 5.865 0 1 FKAF CN(c1ccc(F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C1CC1 587500259 APWJSJFNVCWIJY-JOCHJYFZSA-N 365.448 5.010 0 1 FKAF O=C1C[C@H](c2cccc(-c3ccccn3)c2)Oc2c1ccc1c2CCCC1 587515177 LMRGKLRMLZJBLV-HSZRJFAPSA-N 355.437 5.334 0 1 FKAF CC(C)[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587525753 PJMZGXUJCZUAKH-XMMPIXPASA-N 359.469 5.563 0 1 FKAF O=C1C[C@H](c2cccc(-c3cccs3)c2)Oc2c1ccc1c2CCCC1 587531513 LLXJROQHBXUOBY-OAQYLSRUSA-N 360.478 6.000 0 1 FKAF O=Cc1ccc(OCCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587566660 WWYXMZCHOFABOS-UHFFFAOYSA-N 374.465 5.148 0 1 FKAF CCCCC/C=C\CC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603959 SNQPQQQXEBQYFS-ABDUDLSGSA-N 366.457 5.639 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCCCCCC2)N1 587824651 YEILQUWLEHFSSI-SGTLLEGYSA-N 354.307 5.524 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2csc(Cl)c2)N1 587849156 QZUCYAXFTGZQOE-ANRSDYALSA-N 374.706 5.101 0 1 FKAF FC(F)(F)c1cnc2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 587955900 LZGVQRYLMNIXGM-KRWDZBQOSA-N 367.374 5.351 0 1 FKAF CC/C(=C\c1nc2cc(Br)c(F)cc2[nH]1)c1ccc(C)cc1 587969041 XZLLOJFJBIDYSO-XYOKQWHBSA-N 359.242 5.724 0 1 FKAF Oc1ccccc1-c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 1857770483 RFECVZOFBKJNSB-UHFFFAOYSA-N 354.365 5.522 0 1 FKAF CC1=C[C@H](c2ccc3[nH]ccc3c2)[C@](C)(C=Cc2ccc3[nH]ccc3c2)CC1 2356772508 AGXPNMMYDKKSMT-BVAGGSTKSA-N 366.508 7.193 0 1 FKAF CCC[C@@]1(CCCNC)Cc2ccccc2N(c2ccc(C)cc2)C1=O 6716518 YPBIYYFCLCGRRL-HSZRJFAPSA-N 350.506 5.002 0 1 FKAF O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@@H](c2ccoc2)N1Cc1ccccc1 13830280 KSYOIXDDZBOZLY-MOUTVQLLSA-N 369.464 5.339 0 1 FKAF CC[C@@H](C)CCCCCCCCCCCCc1cccc(O)c1C(=O)O 29217759 HTRXHLGQLRRIRG-LJQANCHMSA-N 362.554 6.970 0 1 FKAF CCCCc1ccc(Nc2cc(C)nc3ccc4[nH]cnc4c23)cc1Cl 39214815 ODKYWPGFBBEQTD-UHFFFAOYSA-N 364.880 6.159 0 1 FKAF CC[C@@]1(c2cccc(Br)c2)ON=C(c2ccccc2Cl)O1 40423456 MUOCNOMTTQYUAH-INIZCTEOSA-N 366.642 5.074 0 1 FKAF Brc1ccc2[nH]c3c[n+](CCCc4ccccc4)ccc3c2c1 45368003 OXCNAUDODZKRFZ-UHFFFAOYSA-O 366.282 5.004 0 1 FKAF CC(C)(C)c1cc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)no1 73159435 DHPYZWMGBCEGSH-HNNXBMFYSA-N 371.289 5.058 0 1 FKAF c1ccc(-c2nc(N3CCCC3)ncc2-c2nc3ccccc3s2)cc1 82162733 NQKGSQNLWRIRFF-UHFFFAOYSA-N 358.470 5.021 0 1 FKAF CCOc1ccc(-c2cnc3cc(NCc4ccc(CC)cc4)ccn23)cc1 95598128 IFWCJRJDBZFBFC-UHFFFAOYSA-N 371.484 5.575 0 1 FKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC(CO)CO 238735146 ZPAKANBJNJVZNN-FKBYEOEOSA-N 372.634 5.822 0 1 FKAF CC(C)/C=C\[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257387098 BKWBRNDZAJHCMT-ZXKYYAONSA-N 370.621 6.775 0 1 FKAF endogenous,in-man CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(F)cc(C)cc4[nH]3)cc2)CC1 586881364 URCRSWUSBNXGMO-IYARVYRRSA-N 364.508 7.141 0 1 FKAF CC1(C)COc2c(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cccc21 586911986 NEGWBJGIALRHSI-UHFFFAOYSA-N 350.315 5.058 0 1 FKAF COc1ccc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)cc1 587096342 CYEBSTSMYZVKSL-UHFFFAOYSA-N 365.432 5.739 0 1 FKAF CC/C=C/CC1=C(C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100360 HTWMPZIAZIYCQA-AATRIKPKSA-N 365.476 6.441 0 1 FKAF Cc1ccnc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587159939 YXKQQFMEJUJNBT-SFHVURJKSA-N 367.811 5.227 0 1 FKAF COc1cccc(-c2c(C3CCCCC3)cnc3c2oc2ccccc23)c1 587366962 OXRUVDOCJNLARA-UHFFFAOYSA-N 357.453 6.704 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc(Cl)c(Cl)c1)O2 587372970 CEYFLWKXRSCWAK-IBGZPJMESA-N 364.272 5.241 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(Cl)c1)CC2=O 587463845 ZCBDSBVPZFOSTF-KRWDZBQOSA-N 351.229 5.358 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1)(C(C)(C)C)CC2=O 587488091 HVCILYJLPHWLNF-XMMPIXPASA-N 366.501 5.728 0 1 FKAF Cc1c(Cl)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546450 QVVCVEANPNXECF-GHTZIAJQSA-N 366.800 5.057 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3ccc(OC(C)C)cc3[nH]2)cc1 587564552 KXJWKVNNZIPHDV-UHFFFAOYSA-N 352.478 5.617 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccccc3)c(-c3c[nH]c(C(=O)O)c3)[nH]c12 587626590 TUAMEQJUWSVELD-UHFFFAOYSA-N 350.805 5.490 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3F)c(-c3ncc[nH]3)c2c1 587642721 PTVYAIPHXPQDCM-GFCCVEGCSA-N 367.855 6.531 0 1 FKAF CCOC(=O)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956047 RRCMHUYUDMPZOU-FQEVSTJZSA-N 370.452 5.114 0 1 FKAF CC(C)(C)[C@@H]1CCC[C@@]2(CC1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962728354 DWRGJTVACUXVHN-SYNHAJSKSA-N 367.455 5.154 0 1 FKAF CCC(CC)c1ncc([C@@H]2N[C@@H](CC)Cc3c2[nH]c2ccccc32)s1 962962559 YAKGWZJQYSVADV-XOBRGWDASA-N 353.535 5.542 0 1 FKAF COc1ccc(-c2nc3c(nc(C)c4ccc(-c5ccccc5)nc43)o2)cc1 1857590176 CYXQMYVHHPZKSG-UHFFFAOYSA-N 367.408 5.422 0 1 FKAF Fc1ccc(NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 1857648803 VNBPFBZFRFZXCH-UHFFFAOYSA-N 363.417 5.443 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)cc(C)c(C=O)c1O 2356580194 QAPOXOGEDXIOHD-UHFFFAOYSA-N 356.506 6.180 0 1 FKAF COC(=O)C[C@H](C)CC[C@@H]1[C@](C)(OC)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356581595 BVVBLULWDBBBND-IYZCWLJXSA-N 352.559 5.614 0 1 FKAF Fc1cccc(-c2nc3c(Nc4ccc(F)c(Cl)c4)nccc3[nH]2)c1 74386249 SSIPGPZTYUOJBA-UHFFFAOYSA-N 356.763 5.300 0 3 FKAF FC(F)(F)c1ccc(-c2cc(Oc3ccc4ccncc4c3)ncn2)cc1 14974062 WCEZPXMPFIVDBU-UHFFFAOYSA-N 367.330 5.503 0 1 FKAF CC(C)CS[C@@H](CCC/C=C(\c1ccccc1)c1cccnc1)C(=O)O 26741103 NSRWQNKXXORHDV-HNLWVNFGSA-N 369.530 5.526 0 1 FKAF CC[C@H](C)CCCCCCCCCCCCCCCCCCC(=O)O 33820161 MZRXKFZYUOFQRH-QFIPXVFZSA-N 354.619 8.139 0 1 FKAF biogenic,in-vitro O=C1c2cccc(Cl)c2C(Cc2ccccc2)c2c(Cl)cccc21 64447891 UHINHHUYROYCFK-UHFFFAOYSA-N 353.248 5.912 0 1 FKAF CCCCOc1ccc2c3cc[n+](Cc4ccccc4)c(C)c3n(CC)c2c1 95593905 JGINCFMTGLQQFK-UHFFFAOYSA-N 373.520 5.638 0 1 FKAF CCOC(=O)C1=Cc2cc(Cl)cc(Cl)c2O[C@@H]1c1ccc(F)cc1 96910447 SPLDXKXCVXJETQ-MRXNPFEDSA-N 367.203 5.213 0 1 FKAF CCCCCC[n+]1ccc2c3ccccc3n(CCCc3ccccc3)c2c1 96922771 IYWCFCHZOBDJPD-UHFFFAOYSA-N 371.548 6.295 0 1 FKAF CN1[C@H]2CC[C@H]1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100897375 USTUNSNQMDWSMK-VXKWHMMOSA-N 371.471 5.334 0 1 FKAF Cc1nn2c(O)cc(-c3ccc4ccccc4c3)nc2c1-c1ccccc1 103664742 VJWFAPCYRVCLDB-UHFFFAOYSA-N 351.409 5.231 0 1 FKAF c1ccc(Nc2nc(NCc3cccs3)nc(Nc3ccccc3)n2)cc1 147685203 LFRQLLTZCVJDIF-UHFFFAOYSA-N 374.473 5.032 0 1 FKAF O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1F)c1ccsc12 167765199 YEMAHMBBFZORKM-UHFFFAOYSA-N 372.808 5.684 0 1 FKAF CC(=O)OC(C)(C)[C@@H]1CCC(C)=CCCC(C)=CCCC2=C[C@@H]1OC2=O 253664961 JRHSHBMAWLBQTD-UXHICEINSA-N 360.494 5.043 0 1 FKAF Cc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1Cl 586978943 CZINKCICIWNEBD-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc(F)ccc3F)nc3ccc(O)c1c23 586985996 JNMCFTUEEILTED-UHFFFAOYSA-N 359.331 5.097 0 1 FKAF COc1ccc(Cc2cnc3cccc4c3c2-c2ccccc2C4=O)cc1F 587103216 IBFHQHKENQUDRW-UHFFFAOYSA-N 369.395 5.185 0 1 FKAF Cc1cc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Cl 587103383 GRVKRQSNQWJQSM-UHFFFAOYSA-N 371.823 5.781 0 1 FKAF COc1ccc2c(c1F)Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587105023 ZHKITGZDVSWTGS-UHFFFAOYSA-N 367.379 5.165 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cccc(OC)c4[nH]3)c(F)c2)c(F)c1 587150736 DYCNPAQWZIKFJH-UHFFFAOYSA-N 366.367 5.192 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(Br)c(F)c3[nH]2)c1F 587152534 PJFQYYULPAWUBI-DTWKUNHWSA-N 367.168 5.014 0 1 FKAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)O2 587173697 GSOWPMUBFPLTJA-ZDUSSCGKSA-N 356.706 5.050 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(C(C)(C)C)CC2=O 587467757 RFEWFUIOVJOEAX-QFIPXVFZSA-N 356.437 5.391 0 1 FKAF CCCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587520976 GXGHKFBBZBYZLY-NRFANRHFSA-N 366.457 5.069 0 1 FKAF O=C1C[C@@H](c2c[nH]c3c2ccc2ccccc23)Oc2c1ccc1c2CCCC1 587525597 OGYKDXSNGHKTAQ-QHCPKHFHSA-N 367.448 5.906 0 1 FKAF O=C1C[C@H](c2csc(Cl)c2Cl)Oc2c1ccc1c2CCCC1 587532997 STBQJADXXTZHAP-CQSZACIVSA-N 353.270 5.640 0 1 FKAF C[C@@H]1CCCCCCCCCCCCc2nc3nc(O)nc(O)c3cc21 587561087 DGOQFAUIGMPCFG-OAHLLOKOSA-N 357.498 5.387 0 1 FKAF CCCCCC[C@]1(CCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601200 RJCSECOTTLSFDF-OFNKIYASSA-N 368.473 5.863 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C(C)=O)c2c1 587643923 YRZDTFUGKCXONN-LBPRGKRZSA-N 359.391 6.570 0 1 FKAF C[C@H]1C[C@@H](C)C[C@H]([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 587813397 CAYLZQZLCLDVLL-COLGCWSRSA-N 368.334 5.410 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccccc2)N1 587815183 KKYGRVSXGQMRCZ-LFHUJZDRSA-N 360.270 5.051 0 1 FKAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587815220 KTLQZBVVGDFKSJ-ORAYPTAESA-N 362.286 5.003 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Cl)c(F)c1 587861071 LSWQLTGTTKCKEP-UHFFFAOYSA-N 370.733 5.359 0 1 FKAF Cc1cc(C(F)(F)F)n(CCc2nc(-c3ccc(C)c(C)c3)cs2)n1 587920767 MGDZJKHSCBRHOT-UHFFFAOYSA-N 365.424 5.193 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(Br)c(F)cc2[nH]1 587950924 FDWCNSLIKPZGIC-MMPTUQATSA-N 369.278 5.511 0 1 FKAF CC[C@@H](C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587955748 LLINAFQAOMMYLH-LLVKDONJSA-N 361.367 5.348 0 1 FKAF Cc1cccc2c1OCCC[C@@]21NCCc2cc(-c3ccccc3)ccc21 962665382 KGENHNZMZVSOBA-VWLOTQADSA-N 355.481 5.224 0 1 FKAF CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@H]3NCCc4ccc(O)cc43)c2c1 963344143 ZEXQBQIBLASRMW-QFIPXVFZSA-N 362.517 5.530 0 1 FKAF C/C=C1/[C@H](O)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772635431 RZHXZHWJIBCTAW-PRSWHLRRSA-N 371.609 5.411 0 1 FKAF COC(=O)c1cc(CCC(C)C)c2c(c1)CC[C@@](C)(CCCC(C)C)O2 2356337972 JLWGAJAFCQCLFY-HSZRJFAPSA-N 360.538 5.972 0 1 FKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 2356429749 HIGFJBWLJMUGFT-NXVOHPIDSA-N 368.605 7.327 0 1 FKAF Fc1ccccc1N=c1[nH]c(-c2cccc(OCC(F)(F)F)c2)cs1 2382238806 HUUISGTVOWMYLP-UHFFFAOYSA-N 368.355 5.056 0 1 FKAF CC(=O)Oc1ccc([C@@H](c2ccc(C(F)(F)F)cc2)c2ccccn2)cc1 2382256335 CHDJGHUFHZZQPL-HXUWFJFHSA-N 371.358 5.206 0 1 FKAF COc1ccc(-c2oc3ccccc3c2C(=O)OCc2ccc(O)cc2)cc1 15935074 YDRJAZMMEQFPIH-UHFFFAOYSA-N 374.392 5.171 0 3 FKAF CC(C)c1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccccc4)ccnc3O2)cc1 61925899 MDFGWNMOAJUKJO-DEOSSOPVSA-N 372.468 5.204 0 3 FKAF CN(C)C(=O)OC1=C(c2ccccc2)Sc2ccccc2-n2cccc21 13603866 FGXDSIINDRBSII-UHFFFAOYSA-N 362.454 5.107 0 1 FKAF CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)SC1CCCCC1 13738038 VLMRWCMYNRMYKE-UHFFFAOYSA-N 363.523 6.208 0 1 FKAF COc1ccc2c(Cc3ccc(F)cc3)ccc([C@@H](C(=O)O)C(C)C)c2c1 26645007 CRTJUEAEZFDKEA-QFIPXVFZSA-N 366.432 5.403 0 1 FKAF O=C(O)Cc1ccc2[nH]c(-c3ccccc3)c(CCc3ccccc3)c2c1 26990964 PMROJGOCNAZGOC-UHFFFAOYSA-N 355.437 5.247 0 1 FKAF CC(C)C[C@@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1CCCC1CCCCC1 27213665 HTFJOMKEAGRTSJ-DHIUTWEWSA-N 373.629 5.698 0 1 FKAF CC[C@H]1CCCCCCc2c1oc(=O)c([C@@H](c1ccccc1)C1CC1)c2O 27519768 LUYUQDXMYQYICI-JXFKEZNVSA-N 366.501 5.888 0 1 FKAF CC1=C(/C=C/c2cc(Nc3ccc(F)cc3)nc(N)n2)C(C)(C)CCC1 28712590 JMXSWPVUCWTIKR-ZHACJKMWSA-N 352.457 5.481 0 1 FKAF O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(Cl)cc1-c1ccccc1 45497545 KCSKUPWTCFWQAL-HXUWFJFHSA-N 352.817 5.082 0 1 FKAF COc1ccc([C@@](C[C@@H](F)CN)(c2ccccc2)c2ccc(C)cc2)cc1 95581221 CHQFZSXWIXTJPN-VWNXMTODSA-N 363.476 5.025 0 1 FKAF CCCCC/C=C\C/C(O)=C\C/C=C\C=C\[C@@H](O)CCCC(=O)OC 100707562 OCCFBAZSTLZLQD-QGMGTRDSSA-N 350.499 5.162 0 1 FKAF COc1cncc(C2=CC[C@H]3[C@@H]4CC=C5CCCC[C@]5(C)[C@H]4CC[C@]23C)c1 141007797 UYHBDZGBGSGUJP-XFASLETNSA-N 363.545 6.436 0 1 FKAF C[C@@]12C=C(/C=C/C=C\c3ccco3)[C@@](C)(C1)[C@@H](/C=C\c1ccco1)CC2=O 169332498 UQMOFGNDJAVHLT-VKDKAVBJSA-N 360.453 6.087 0 1 FKAF CCCCN(CCCC)C[C@H](O)c1cnc2c(C)cc(C)cc2c1Cl 169338273 NHMQFOFQUZYJAR-IBGZPJMESA-N 362.945 5.441 0 1 FKAF CCCCCCSC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253639143 YHSIOGBAMKKEDO-AKTZOKGCSA-N 354.556 5.295 0 1 FKAF Cc1ccc(-c2nc3scc(-c4ccccc4)n3c2NC(C)(C)C)cc1 299830319 WCQJPBKMHWSLHG-UHFFFAOYSA-N 361.514 6.249 0 1 FKAF COc1cccc(C(=O)Nc2cccc(-c3ccc4ccccc4c3)c2)c1 299841241 YTGPBVRDZHGIPZ-UHFFFAOYSA-N 353.421 5.768 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2)cc1 586898410 KRQMHVCFISJBJW-UHFFFAOYSA-N 355.224 5.909 0 1 FKAF CC(C)(c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991955 LJUHNUWXKAJNDQ-UHFFFAOYSA-N 365.432 5.478 0 1 FKAF FC(F)(F)c1cnc2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587050047 OFBGZSQKESQHES-BDAKNGLRSA-N 372.177 5.555 0 1 FKAF COc1nccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587050918 MYZGZMJHQGDFAM-UHFFFAOYSA-N 360.200 5.200 0 1 FKAF CCOc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587107703 UAVPOYBXUWYUAS-UHFFFAOYSA-N 351.405 5.512 0 1 FKAF Cc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587109263 FEPKZJRRAMIICD-UHFFFAOYSA-N 358.285 5.500 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587155935 OQJNAEJDKYONCX-ZDUSSCGKSA-N 356.294 5.390 0 1 FKAF Cc1c(Cl)ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587167081 HJCZULGNZUNCFK-INIZCTEOSA-N 372.831 5.033 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587169967 GTGLPPDPCMJSFB-SNVBAGLBSA-N 370.371 5.496 0 1 FKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587196028 PANPESQISXOYOY-JTQLQIEISA-N 367.802 5.453 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C\Cc1c(C)nc2cccc3c2c1CC3 587213326 IHYZLWRLFRHDTO-BALAVPJISA-N 373.584 7.604 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(C)nc(C)cc3[nH]2)c1 587241628 ZNJORFYXHSBVAL-UHFFFAOYSA-N 357.461 5.184 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(Cl)cc3)o1)O2 587380590 WOFIJTFDWBBKNP-LJQANCHMSA-N 353.805 5.197 0 1 FKAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(C1CCCC1)[C@@H](C2)C3=O 587422493 QHDDOKRFQKKTEF-AVRDEDQJSA-N 368.860 5.182 0 1 FKAF CCCc1ccc(OCC)c([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 587480946 QAHZSEPFOCIGTH-QFIPXVFZSA-N 368.473 5.402 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccc(O)cc3)c1)CC2=O 587484331 SWAZXDXVWCWKHJ-QHCPKHFHSA-N 374.436 5.424 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](c3ncccc3C)C1)CC2=O 587488563 PQPJEAUHJVDKTQ-MWTRTKDXSA-N 365.473 5.110 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(CC/C=C(\C)CCC=C(C)C)CC2=O 587489108 LZEDMSNOACSJLW-VHFIJRQBSA-N 370.533 6.542 0 1 FKAF O=C1C[C@H](c2ccc(O)c(Cl)c2Cl)Oc2c1ccc1c2CCCC1 587499533 UYSOSVAHMINSKI-MRXNPFEDSA-N 363.240 5.284 0 1 FKAF Cc1ccc(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527813 WSERJURRCGZUSG-VWLOTQADSA-N 368.476 6.247 0 1 FKAF C[C@]1(c2cc(-c3ccccc3)no2)CC(=O)c2ccc3c(c2O1)CCCC3 587528000 VXGUPHHLVWPELW-HSZRJFAPSA-N 359.425 5.101 0 1 FKAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)cc1C 587628874 SRQZRQTUKBSUTB-UHFFFAOYSA-N 369.745 5.989 0 1 FKAF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)cc1 587629234 ZMVXJNNOVKSUPV-UHFFFAOYSA-N 369.745 5.773 0 1 FKAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587815218 KTLQZBVVGDFKSJ-BFUOFWGJSA-N 362.286 5.003 0 1 FKAF O=C(C(c1ccccc1)c1ccccc1)n1nc2cc1Oc1ccc(F)cc1-2 587873996 RQLACTOCIBCHFW-UHFFFAOYSA-N 370.383 5.267 0 1 FKAF C[C@]1(C2CCC(C(F)(F)F)CC2)c2ccc(F)cc2C[C@@H]2CCCN21 963102362 JZCZIYAMRBYOJA-WNQHEHQFSA-N 355.419 5.430 0 1 FKAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1c(F)ccc(Cl)c1Cl 963269082 FNGMFGXJJNLMRD-KRWDZBQOSA-N 374.670 5.204 0 1 FKAF O=C1CCCC2=Nc3ccc4ccccc4c3[C@H](c3ccc(F)cc3F)[C@H]12 1857579636 BDSQEWOLDRMDTE-GOTSBHOMSA-N 361.391 5.705 0 1 FKAF C[C@@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)COc1ccc2c(c1)OCC=C2 2356531271 UXUTZFNIXIHZJK-HYRINLPZSA-N 368.517 5.529 0 1 FKAF C[C@@H](ON1[C@](C)(c2ccccc2)CC[C@@]1(C)c1ccccc1)c1ccccc1 6040198 INQXAJZMLNZJKF-NYMACZPPSA-N 371.524 6.606 0 1 FKAF C/C(=C\C(=O)N(C(C)C)C(C)C)c1ccc(O[C@@H](C)c2ccccc2)cc1 13782682 FYPWRTYKQKCELD-UETJRYKRSA-N 365.517 5.875 0 1 FKAF O=C(NCc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2[nH]ccc12 14973832 VNRZGNGLPJAUTF-UHFFFAOYSA-N 367.758 5.162 0 1 FKAF COc1ccc(C(=C(c2ccccc2)c2ccccc2)C(F)(F)F)cc1 27997981 ICESZTUCDAIVDL-UHFFFAOYSA-N 354.371 6.217 0 1 FKAF Cc1cc(C2=C(c3ccc(Br)cc3)C[C@H]3CC[C@@H]2S3)on1 66251943 VFWWGMNGYMVIBX-CJNGLKHVSA-N 362.292 5.324 0 1 FKAF CC(C)(C)c1ccc(-n2cnc(-c3ccccc3Nc3ccncc3)n2)cc1 89455696 IISPVGXKASVSOE-UHFFFAOYSA-N 369.472 5.370 0 1 FKAF Cc1nc(N2CCCCC2)c2nc(CSc3ccc(Cl)cc3)cc-2[nH]1 100867602 RKEVQAHNCOKLIZ-UHFFFAOYSA-N 372.925 5.154 0 1 FKAF Oc1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1 148174378 KZIQTJUTZXQUJZ-UHFFFAOYSA-N 355.397 5.385 0 1 FKAF O=C1C[C@H](N(Cc2ccccc2)[C@@H]2CCc3ccccc3C2)c2ccccc21 169303758 AAEFZAOPNBNCRL-RDGATRHJSA-N 367.492 5.374 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4c(C)cnc(Cl)c4[nH]3)c2)cc1 586879039 CUQYVPNYKSSIPV-UHFFFAOYSA-N 361.832 5.456 0 1 FKAF Oc1ccccc1C1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CC1 586897283 YQPVJDWYJTTWLP-UHFFFAOYSA-N 352.743 5.021 0 1 FKAF Cc1c(-c2ccc(O)c(F)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586994660 BASHABGGFJBWMV-UHFFFAOYSA-N 369.395 5.575 0 1 FKAF Cc1cc(Br)c2nc(-c3cc4c(s3)CC[C@@H](C)C4)[nH]c2c1 587034821 ZKRIPVKXCUTMTI-SECBINFHSA-N 361.308 5.487 0 1 FKAF Cc1ccc2c(ccc3nc([C@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c32)n1 587048366 HOLSHFMCRRCMCA-STQMWFEESA-N 368.267 5.997 0 1 FKAF Fc1c(F)c(F)c2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1F 587049945 KDXLWXAINWEECL-UHFFFAOYSA-N 365.717 5.230 0 1 FKAF COc1ccc(Cl)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104754 XAVLKEFWDJOHFR-UHFFFAOYSA-N 371.823 5.775 0 1 FKAF COc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1F 587125360 PSEMTPFSSOASDW-DAXSKMNVSA-N 368.355 5.493 0 1 FKAF O=C(c1ccc(-c2ccc(Cl)cc2)o1)c1coc2ccc(Cl)cc12 587278173 HXBXIKBQIJZIAO-UHFFFAOYSA-N 357.192 6.231 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2[C@H]4CC[C@@H](C4)[C@H]32)c1 587365243 FZKILTFMUUQZAT-SLUIBLPYSA-N 367.448 6.267 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](O)[C@H]3C)c1 587367680 YTBPIGMKOXCHGU-ACJLOTCBSA-N 359.425 5.067 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1)(C(C)C)CC2=O 587488019 HQBJIHJDHKKXHR-HSZRJFAPSA-N 352.474 5.338 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H](C1CCCC1)C2 587605016 WSXKYVZULXEMHE-CGYQNGNCSA-N 364.441 5.083 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(COc3ccccc3)c2c1 587640075 BMLOITQMTHVCKS-QGZVFWFLSA-N 373.471 7.067 0 1 FKAF COc1cccc(OCc2ccc(-c3nc4cc(C(C)=O)ccc4[nH]3)cc2)c1 587780726 GNKNCKJEJCWYCM-UHFFFAOYSA-N 372.424 5.020 0 1 FKAF CC[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812875 LSBLLSXMSMJPEB-DJJJIMSYSA-N 362.286 5.084 0 1 FKAF CCC[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587819114 GRIFHUIWEOYADL-RVZJWNSFSA-N 354.307 5.308 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2cccs2)N1 587853370 QJLWKIMUTNFXCG-GOFCEDMWSA-N 366.299 5.113 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc2c(c1)CCC2 587862593 DOQBUKTVRLTGHL-UHFFFAOYSA-N 358.363 5.055 0 1 FKAF CCc1ccc(-c2nc([C@@H]3NCCc4cc(C)c(F)cc43)cs2)cc1 962094700 URDYDAWLVPRGFK-HXUWFJFHSA-N 352.478 5.055 0 1 FKAF Oc1ccc(-c2ccc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)s2)cc1 963097796 HMVYWITYPSQVJC-HTAPYJJXSA-N 365.473 5.370 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(-c2ccc(F)cc2)s1 963244614 WUYIWOIIYHLFRV-QMHKHESXSA-N 365.517 6.300 0 1 FKAF CCc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(Cl)c(Cl)c2)cc1 1857628529 UHNSKRYMQVFGID-DLBZAZTESA-N 363.284 5.130 0 1 FKAF COc1cc(C)c2c(c1)CC[C@](C)(CCC=C(C)CC=C[C@@H](C)C(=O)O)O2 2356388038 OJGFGARWDJAVNO-HXOBKFHXSA-N 372.505 5.481 0 1 FKAF CC(=CC[C@H]1CNc2ccccc21)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356530588 GDIXRZCZAAMRNS-SIKLNZKXSA-N 357.538 5.171 0 1 FKAF CC(=O)OCC[C@]1(C)CC[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@@]32C)O1 2356684629 VPMIZQQBIXRMPF-FQFSJJOFSA-N 350.543 5.510 0 1 FKAF CC(C)=CCC[C@]1(C)CC[C@@H]2C(C)=CCC[C@@]2(C)[C@H]1CCC(C)=CC(=O)O 2356797949 OQQNJVBLPBUXTO-PEISPCAHSA-N 372.593 7.323 0 1 FKAF 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]3C=C[C@@]21C 2356861215 UGOMTIBMXXAAHQ-XBESLWPFSA-N 372.549 5.059 0 1 FKAF Cc1nc([C@@H]2CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)cs1 38150994 NIYPNKHDGWDAOX-NFOZHWPDSA-N 369.574 6.067 0 3 FKAF Clc1cccc(Cl)c1[C@@H]1SCc2nc3cc4ccccc4cc3n21 5580498 IYQCNTPKYKWELS-IBGZPJMESA-N 371.292 6.290 0 1 FKAF CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1Cc2ccccc2C1 13863353 RJQMRPUUAKOPJH-UHFFFAOYSA-N 358.441 5.110 0 1 FKAF CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(COC(=O)/C=C/c3ccccc3)=C[C@@H]21 14918529 LSWGCBZTDVMNJK-LFVVLXMOSA-N 368.517 5.013 0 1 FKAF CC1=CCC[C@]2(C)CC[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H]12 15209392 KKYIBEYOWUAQME-KXLHKWQWSA-N 368.517 5.746 0 1 FKAF CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)sc3c2CCCC3)cc1 26734654 IUHGRNNHNNIMFX-UHFFFAOYSA-N 368.523 5.364 0 1 FKAF CCCCCN1CCC2(CC1)c1cc(O)ccc1[C@](C)(CC)O[C@@H]2CC 27751771 QGFMUXAMSWETGC-YADHBBJMSA-N 359.554 5.350 0 1 FKAF O=C(N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccn1 27993227 SVACDDCGEIQQSW-UHFFFAOYSA-N 365.436 6.178 0 1 FKAF Clc1ccc([C@H](c2ccn(-c3ccc(Cl)cc3)c2)n2ccnc2)cc1 28231838 WNFWTALOSDILBM-HXUWFJFHSA-N 368.267 5.618 0 1 FKAF COC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3s2)c1 29231345 SLVYTUDZKSJSLR-UHFFFAOYSA-N 353.230 5.448 0 1 FKAF CC[C@H]1[C@@H](C)CC[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13 40690437 GBDVUTUHHVNACT-QOGMPQAHSA-N 367.577 5.436 0 1 FKAF CC(C)=CCc1c(O)cc2c(c1/C=C\c1ccccc1)C[C@H](C(C)(C)O)O2 40892557 FSSUIGNVZSBFPI-GQZPPLQUSA-N 364.485 5.146 0 1 FKAF CCCCCc1cc(CNC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 45385862 GBDAMUKDGACIKG-NHCUHLMSSA-N 369.549 5.666 0 1 FKAF COc1cccc(NCC[C@]2(c3ccc(Cl)cc3)CCOC(C)(C)C2)c1 72107153 CKWOITIAHCGAAL-QFIPXVFZSA-N 373.924 5.678 0 1 FKAF COc1ccc(Nc2nccc3c2cc(-c2cccc(OC)c2)n3C)cc1 74387104 XLRLKGINUKOWRW-UHFFFAOYSA-N 359.429 5.001 0 1 FKAF Cc1ccc(/C=C/c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1 96940170 SZBBRTSTTJMRPI-BUHFOSPRSA-N 366.460 6.556 0 1 FKAF c1ccc(C2=N[C@@H](c3c[nH]c4ccccc34)c3c(ccc4ccccc34)O2)cc1 98084480 XHFVRDGKNPHGGD-VWLOTQADSA-N 374.443 6.250 0 1 FKAF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)[C@H]1C(=O)C[C@@H](C)CC1=N2 169722019 FMSPMCATPJWWEM-QDEDPJFRSA-N 370.855 5.642 0 1 FKAF C[C@@H]1CN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)[C@H](C)CN1C 253793110 VPBCZFXEYITWLJ-SUMGPEMVSA-N 372.915 5.080 0 1 FKAF CCCCC1CCC(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 586887143 FEWQTOHXHOILAV-UHFFFAOYSA-N 370.722 5.838 0 1 FKAF CC(C)(C)c1nc2cccc3c2c(c1CC1CCCC1)-c1ccccc1C3=O 587106503 IFVNUZAFFIYKJM-UHFFFAOYSA-N 369.508 6.476 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1 587151899 WOQPTOTXQBJHCM-DHZHZOJOSA-N 360.363 5.243 0 1 FKAF COc1cccc(-c2c(C)c([C@@H]3CCOC3)nc3c2oc2ccccc23)c1 587367194 UNMFGLNNWKWGOG-MRXNPFEDSA-N 359.425 5.469 0 1 FKAF CSC(=C[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)SC 587409055 JUZUZYRMGDSCQF-FQEVSTJZSA-N 371.527 5.005 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ccccc2C(C)(C)c2ccccc21 587409489 VSEVGKUCHUOYQJ-UHFFFAOYSA-N 369.464 5.126 0 1 FKAF C[C@@H]1CCc2c(F)cccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587510058 UNJDRXYMMQIUHE-QKFKETGDSA-N 350.433 5.148 0 1 FKAF O=C1C[C@H](c2ccccc2N2CCCCC2)Oc2c1ccc1c2CCCC1 587515868 WONHYRBCOCBCSW-HSZRJFAPSA-N 361.485 5.262 0 1 FKAF O=C1C[C@H](c2ccc([C@H]3CCCO3)s2)Oc2c1ccc1c2CCCC1 587532289 PGGKPPNGCMXMBS-QZTJIDSGSA-N 354.471 5.185 0 1 FKAF Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587600907 DAMOGAWRHAGSJW-NFBKMPQASA-N 360.409 5.020 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)NC3C4CC5CC(C4)CC3C5)c2c1 587641540 GXWYYDARYSHHIH-FIQOTKTBSA-N 364.533 5.544 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C(C)(C)C)ccc1OC 587871474 INLXJVDAOJJNLO-UHFFFAOYSA-N 368.452 5.383 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3c(ccn3C)c2)n1 653767402 GRXFLEFNXWRRCF-OAQYLSRUSA-N 368.484 5.433 0 1 FKAF CCC[C@]1([C@H](C)CC)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962630531 KAYGMMBUPKBALU-XRODADMRSA-N 362.561 5.475 0 1 FKAF c1ccc(-c2ccc([C@@H](OCCCc3cnc[nH]3)c3ccccc3)cc2)cc1 1772618892 LGENCIDACQCARL-VWLOTQADSA-N 368.480 5.816 0 1 FKAF O=c1nc(-c2ccc3ccccc3c2)cc2ccn(Cc3ccccc3)cc1-2 1857538488 GJGUNFOPOANDMI-UHFFFAOYSA-N 362.432 5.217 0 1 FKAF O=[S@@](Cc1ccc(F)cc1)c1ccc2cc(Br)ccc2c1 1857649185 FOEUTLLFMNPCMI-NRFANRHFSA-N 363.251 5.049 0 1 FKAF CC(C)=CCC[C@@](C)(O)[C@H]1CC=C(CO)CCC=C(C)CCC=C(C)CC1 2356747679 PHHSGMBMOUQBFV-JWQCQUIFSA-N 374.609 6.656 0 1 FKAF CC(C)[C@@]1(c2ccc(Cl)cc2)ON(c2ccccc2C(F)(F)F)C1=O 36387710 ZMJAHLRWNZMKQY-KRWDZBQOSA-N 369.770 5.189 0 3 FKAF Clc1ccccc1Nc1nc(NCc2ccccc2)nc2ccsc12 61897020 MIPARRMOSGJANA-UHFFFAOYSA-N 366.877 5.700 0 3 FKAF CCCC1CCC2(CC1)CC[C@H]2OC(=S)NCc1ccc(Cl)cc1 205704783 KZZFCRMIUSTMOI-RVSXGSNBSA-N 365.970 5.870 0 3 FKAF C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2C(c3ccc(CO)cc3)=CCC[C@]12C 3960769 FYPBHHLNEAUEEH-CSILHSIFSA-N 370.577 5.966 0 1 FKAF O=C1NC2=C(CCCC2)C2(CCCCC2)[C@H]1CCCCNc1ccccc1 6282651 ABNPNSIEUONACM-NRFANRHFSA-N 366.549 5.793 0 1 FKAF biogenic COc1cc([C@H](Cc2ccncc2)c2ccccc2)ccc1OC1CCCC1 26978785 FDTQSZSJKLYZPY-HSZRJFAPSA-N 373.496 5.786 0 1 FKAF CCCC[C@@H]1Oc2ccc(Cl)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 26995995 KJSHBZLXBZYVMR-FQEVSTJZSA-N 367.920 7.238 0 1 FKAF O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCc2c([nH]c3ccccc23)C1 40847135 PDVQEWJUPVHAAR-UHFFFAOYSA-N 370.427 5.173 0 1 FKAF CCCCCC1=NN(C(=O)NCC2CCCCC2)C[C@@H]1c1ccccc1 58592494 WURIOZZNHAKSDX-HXUWFJFHSA-N 355.526 5.312 0 1 FKAF CC(C)(C)c1ccc(C(=O)OCc2ccc(C=O)cc2)cc1C(C)(C)C 64459387 BNYZAABEJONQMW-UHFFFAOYSA-N 352.474 5.451 0 1 FKAF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](CC[C@@]3(C)O)C(C)=CC[C@@H]12 86031495 JNYWQVTXIGGOTC-DSSQREOGSA-N 358.610 6.919 0 1 FKAF biogenic CCCCCn1ccc(C(=O)c2cccc3ccccc23)c1-c1ccccc1 95705062 VMSOEUHEBCVAPI-UHFFFAOYSA-N 367.492 6.730 0 1 FKAF COc1ccc(CNCCCn2c3c(c4cc(C)ccc42)CCCC3)cc1 103298938 DKMLFVBLPCNFEK-UHFFFAOYSA-N 362.517 5.017 0 1 FKAF c1ccc(-n2ncc3cc(Oc4ncccc4C4CCCCC4)ccc32)nc1 169703161 YZLAAEMVOZUOMK-UHFFFAOYSA-N 370.456 5.656 0 1 FKAF CSc1cccc(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 201737821 GMSANYCFLUDNBC-UHFFFAOYSA-N 356.472 5.047 0 1 FKAF Cc1nc2ccc(O)c3c2c(c1Cc1ccsc1)-c1ccccc1C3=O 586992994 CRVPFDHWBQKPRE-UHFFFAOYSA-N 357.434 5.113 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(Cl)c(N)c4)nc13)-c1ccccc1C2=O 586994252 WNXFKJHGORFCGA-UHFFFAOYSA-N 370.839 5.657 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(F)cc(F)cc1C3 587102913 BKKXQDJOPXYXMB-UHFFFAOYSA-N 355.343 5.296 0 1 FKAF Cc1ccc(NC2(c3nc4c(Cl)c(Cl)cnc4[nH]3)CCCC2)cc1 587237772 WPOVCDUQTSBZLN-UHFFFAOYSA-N 361.276 5.455 0 1 FKAF C[C@@H]1CC(C)(C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587358438 YFOKAYNGHKFPEJ-IJIZOXLDSA-N 368.448 5.475 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([C@H](C)CC)cc1)CC2=O 587477994 AJKQMQSCOLXHKI-IQMFZBJNSA-N 352.474 5.739 0 1 FKAF O=C1C[C@H](c2ccccc2OC(F)(F)F)Oc2c1ccc1c2CCCC1 587501514 CDSPCVCMSJOLDZ-GOSISDBHSA-N 362.347 5.171 0 1 FKAF CC(C)COc1cccc(OCc2nc3cccc(C(C)(C)C)c3[nH]2)c1 587565474 BLYDTGDATMAIIB-UHFFFAOYSA-N 352.478 5.474 0 1 FKAF CCCCC(CCCC)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587819302 LQNCAHBEKZBGJN-DJJJIMSYSA-N 370.350 6.160 0 1 FKAF C[C@@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)COc1ccc2c(c1)OCC=C2 2356531270 UXUTZFNIXIHZJK-CVEYUPAISA-N 368.517 5.529 0 1 FKAF FC(F)(F)c1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1 3832177 JTAPVIPBGIDRDE-UHFFFAOYSA-N 364.370 6.430 0 1 FKAF CC(C)=CCC[C@@]1(C)[C@H]2c3c(cc(C)c(C(=O)O)c3O)O[C@@]3(C)CC[C@@H]1[C@@H]23 6522169 VIAZDVYHRVWLBY-WGEXYRNESA-N 370.489 5.426 0 1 FKAF biogenic O=C1O/C(=C\c2ccccc2)C(Cc2ccccc2)=C1Cc1ccccc1 13449640 LUUFEHDSGHDNCI-MOHJPFBDSA-N 352.433 5.366 0 1 FKAF CN1CCCC[C@H]1CCC1(c2ccc(Cl)cc2)SCCCS1 13554201 WEYUDGFFZFIESK-KRWDZBQOSA-N 356.000 5.627 0 1 FKAF CC(C)c1ccccc1NC(=O)Nc1ncccc1OCc1ccccc1 13680189 UQSHJCGSQYMYMW-UHFFFAOYSA-N 361.445 5.428 0 1 FKAF COc1ccc([C@H]2C[C@@H](c3ccccc3)Oc3cc4c(cc32)OCO4)cc1 13829805 YQRRFKSPYWIJGA-QUCCMNQESA-N 360.409 5.080 0 1 FKAF CC(=O)CCCCCCCCCCCCCCCCCCCC(=O)O 33822340 BODATZSSGBZDGB-UHFFFAOYSA-N 354.575 7.072 0 1 FKAF CCC[C@@H](C)C(=O)c1c(O)cc(O)c(C/C=C(\C)CCC=C(C)C)c1O 38620319 JSFWEFKQXMCUON-RBFDBLARSA-N 360.494 5.658 0 1 FKAF Clc1ccc(Cl)c(CO[C@@H](CCn2ccnc2)c2cccs2)c1 71330104 WWUYKDXLBJEHAD-INIZCTEOSA-N 367.301 5.600 0 1 FKAF CCOC(=O)C[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)c(CC)cc4[C@H]3CC[C@@]21C 72106262 NJGCRVWZVJIGES-RHOLRMCJSA-N 370.533 5.380 0 1 FKAF COc1ccc2nc(-c3cc(-c4ccc(F)cc4)nc4ccccc34)[nH]c2c1 84707052 AIYHGMKZRPOTNE-UHFFFAOYSA-N 369.399 5.593 0 1 FKAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(O)c1C 96283513 WQVLNNMZFIKSFN-UHFFFAOYSA-N 355.441 5.178 0 1 FKAF CCCCCCOc1cc(N2C(=O)OC(=C(C)C)C2=O)c(F)cc1Cl 103291766 ZWMDTIIXIWGODC-UHFFFAOYSA-N 369.820 5.215 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(NCCc2ccccc2)nn1 103293822 GXKKLODRJLLQER-UHFFFAOYSA-N 357.379 5.125 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)OCC[C@@]43C)[C@@H]1CC=C2c1cccnc1 169212844 KCDCHALRKGHSQZ-GBOSRWDWSA-N 365.517 5.271 0 1 FKAF CC(C)Oc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c(OC(C)C)c1 169346121 YZPLPXZLSYTSKI-GIJQJNRQSA-N 371.864 5.407 0 1 FKAF Clc1ccc([C@@H](CC2CNC2)Oc2ccccc2Cl)cc1Cl 299836096 GFGPKOBHHRPKSF-QGZVFWFLSA-N 356.680 5.376 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1cccc(F)c1C4)-c1ccccc1C2=O 586998189 YOWXZRRFEZUQIY-UHFFFAOYSA-N 351.380 5.465 0 1 FKAF Cc1cnc2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 587047754 MCOGWHXCQCVHIW-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF Clc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2nc1Cl 587051102 RWALETKTMWJFKD-NKWVEPMBSA-N 373.070 5.843 0 1 FKAF O=c1oc2c(Cl)cc(Cl)cc2cc1-c1cc2c3c(cccc3n1)CC2 587209471 QCVRJXNZDRHBDZ-UHFFFAOYSA-N 368.219 5.414 0 1 FKAF CCc1cccc2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(Cl)nc12 587380025 OCXCHZFGWRVKCG-SFHVURJKSA-N 366.848 5.048 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(ccc4ccccc43)o1)O2 587415064 YGHQJFIOFDWDCJ-HSZRJFAPSA-N 357.409 5.357 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccccc4)s1)[C@@H](C2)C3=O 587450310 JAVPFSMYLKMTFJ-KSFYIVLOSA-N 362.450 5.087 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1c(F)cccc1Cl)CC2=O 587465319 HHFLONHZGAHYKX-HXUWFJFHSA-N 362.828 5.408 0 1 FKAF CCCc1ccc(OC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524849 NFMCGBHXKQJXFT-QFIPXVFZSA-N 350.458 5.233 0 1 FKAF Cc1[nH]c2cc(F)ccc2c1C(=O)Oc1c(Cl)cc(Cl)cc1Cl 587633090 RGGWFLVKONSPOZ-UHFFFAOYSA-N 372.610 5.795 0 1 FKAF Cc1cccc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 587801061 CYFLQDNSHPCJSA-WLRWDXFRSA-N 373.269 5.002 0 1 FKAF C[C@@H](Cc1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820344 OXCPFAUDOANUCU-QUJCMNEKSA-N 362.286 5.042 0 1 FKAF Cc1cc2c(n1CCCc1ccc(Cl)c(Cl)c1)CC(C)(C)CC2=O 587943247 RVXFXUDVVICDCH-UHFFFAOYSA-N 364.316 5.891 0 1 FKAF Cc1c(Br)ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587951991 LBLIPDRSCWYVEJ-UHFFFAOYSA-N 357.251 5.232 0 1 FKAF CN1CCc2c(Br)cccc2[C@H]1c1ccc(C(C)(C)C)cc1 963279842 JPWAQJODGZLFFJ-LJQANCHMSA-N 358.323 5.324 0 1 FKAF COc1cc(CC=Cc2ccccc2)c(O)c(CC=Cc2ccccc2)c1 2356643497 UOLNBAAIQOWESS-UHFFFAOYSA-N 356.465 5.913 0 1 FKAF Fc1ccc(-c2nc3ccc(Cl)cn3c2Cc2cccc(F)c2)cc1 72136162 VPAGZTIJXRXOML-UHFFFAOYSA-N 354.787 5.524 0 3 FKAF CCCCC[C@@H]1CCc2c(cc3c(c2O)[C@@H]2CC(C)=CC[C@H]2C(C)(C)O3)C1 3981605 QZNJFXSEKJPBLV-DUXKGJEZSA-N 368.561 6.688 0 1 FKAF CCCCC[C@@H](O)/C=C/c1[nH]c2ccccc2c1CCCCCCC(=O)O 5551143 NNUMLENANGVSNZ-IECKCJDVSA-N 371.521 5.700 0 1 FKAF CCC(CC)CC1(C(=O)Nc2ccccc2SC(C)=O)CCCCC1 13813337 CCSJXVJLCREWRO-UHFFFAOYSA-N 361.551 6.041 0 1 FKAF Cn1cc(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc21 26167348 VXIOVDAUIYLNSV-UHFFFAOYSA-N 374.528 5.023 0 1 FKAF CCOC(=O)CCCOc1cc(-c2ccccc2)nc2cccc(CC)c12 26723303 CCKJOHLUHHLCMA-UHFFFAOYSA-N 363.457 5.186 0 1 FKAF O=C1[C@H](CCCc2ccccc2)[C@@H](c2ccccc2)N1c1ccc(F)cc1 28527755 CUAZNABXDDGKHW-DHIUTWEWSA-N 359.444 5.553 0 1 FKAF O=C(O)c1cc2c(cc1O)-c1[nH]c3ccc(-c4ccccc4)cc3c1CC2 34893622 RWZNOGQAISNHLR-UHFFFAOYSA-N 355.393 5.004 0 1 FKAF Cc1ccc(-c2cc(-c3ccc(Cl)o3)cc(-c3cccs3)n2)cc1 45338028 ZFPKOZLAHKUICK-UHFFFAOYSA-N 351.858 6.699 0 1 FKAF Cc1c(Cl)ccc2c1NC(=O)[C@@]2(c1ccc(O)cc1)C1CCCCCC1 64548785 CYTNPJIHWGVIKY-JOCHJYFZSA-N 369.892 5.563 0 1 FKAF COc1cccc(-c2csc(-c3ccc(Br)cc3C)n2)c1 95561340 HASARKNBHJJUMM-UHFFFAOYSA-N 360.276 5.557 0 1 FKAF Nc1scc(CSc2ccccc2)c1C(=O)c1ccc(Cl)cc1 96913276 CAOQMBYWLGODKS-UHFFFAOYSA-N 359.903 5.507 0 1 FKAF Brc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1 103168733 YECRYSXBDLBNPV-UHFFFAOYSA-N 368.278 5.050 0 1 FKAF CN(Cc1cc2ccccc2nc1Cl)c1ccc(Cl)c(Cl)c1 103294824 XEMFTFBKBVSAMY-UHFFFAOYSA-N 351.664 5.831 0 1 FKAF CCCCN1c2nc3ccccc3cc2Sc2cc3ccccc3nc21 137980828 LPUMKBSVAZTFQE-UHFFFAOYSA-N 357.482 6.186 0 1 FKAF CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCO)cc1)c1ccccc1 200030680 JDMRZCIEPITQKJ-WCWDXBQESA-N 360.453 5.132 0 1 FKAF CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)s1 206865354 APAATJPEFJOWBO-OAQYLSRUSA-N 362.498 5.120 0 1 FKAF O=C(O)CCCCCCCCCCC[C@@H]1C[C@@H]2[C@@H]3[C@H]4[C@H]5CC[C@H]5[C@H]4[C@H]3[C@@H]21 231930533 ZPDCFDULRXOVLT-QGBFTPEJSA-N 358.566 6.146 0 1 FKAF CSc1cccc(N=c2[nH]c(-c3cccc(C(F)(F)F)c3)cs2)c1 473083947 DLIYCHNTHONNSV-UHFFFAOYSA-N 366.433 5.716 0 1 FKAF COc1cccc(-c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)c(Cl)c2)c1 587052242 LOTZJRQPJLQYJM-UHFFFAOYSA-N 362.860 6.176 0 1 FKAF FC(F)(F)c1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cn1 587053341 CWXDAYYAXOIQCO-PLNGDYQASA-N 358.150 5.454 0 1 FKAF Clc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064104 AQKIRNARYFWWJB-UHFFFAOYSA-N 359.212 5.709 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(C(=O)O)cc2[nH]1 587074559 XHGHBQMEIXPPGY-UHFFFAOYSA-N 362.816 5.557 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc5ncoc45)nc13)-c1ccccc1C2=O 587096238 IDDFFLZBFNCVIH-UHFFFAOYSA-N 362.388 5.563 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587170589 RAQBDIHRQCBFNI-QMMMGPOBSA-N 356.253 5.300 0 1 FKAF O=C(Oc1cccc2c1Cc1c-2nc2cccc3c2c1CC3)c1ccccc1 587214216 OHKQWDKNVAZWRJ-UHFFFAOYSA-N 363.416 5.124 0 1 FKAF CCc1ccccc1NC(=O)c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 587240916 KPXSUPPDCRVKQD-UHFFFAOYSA-N 367.758 5.050 0 1 FKAF C[C@H]1C[C@@]2(CC[C@H]1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348053 CDCOOQJPKXXQGW-PHKAQXKASA-N 354.421 5.085 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)(C)C)[nH]c3ccc(F)cc13)O2 587384598 NGSNFHREEWGRHK-GOSISDBHSA-N 366.436 5.202 0 1 FKAF CC(C)(C)[C@@]1(c2ccsc2N)CC(=O)c2ccc3c(c2O1)CCCC3 587529775 BSQIMHBVBJSNRY-NRFANRHFSA-N 355.503 5.116 0 1 FKAF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2cccc(F)c2)cc1 587630902 SMYOMZZTEGPLGQ-UHFFFAOYSA-N 357.762 6.573 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(Cl)c3)c(-c3cccnc3)c2c1 587640785 JIVXEOXULIIPGP-OAHLLOKOSA-N 360.888 7.064 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C(F)F)N1 587713513 DKUJHQPACJPJQY-FVMDXXJSSA-N 370.212 5.149 0 1 FKAF CCCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587847907 MSBVEUOTXCLHHJ-BTDLBPIBSA-N 368.315 5.226 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(/C=C\c3cccc4ccccc34)nc2c1 587966353 BLZPFBNAQNOGPC-HJWRWDBZSA-N 356.322 6.044 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2Cl)c2c(n1)-c1ccccc1C2 653723569 VCVQTXQQWLSOSR-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF C[C@H](Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12)c1ccccc1 653913926 UGWVMUVMAMWCQB-NSHDSACASA-N 367.663 5.597 0 1 FKAF COc1cc(OC)cc(-c2cc3ccccc3c(-c3cccc(N)c3)n2)c1 1857653908 ABAYURJJMNJUHF-UHFFFAOYSA-N 356.425 5.168 0 1 FKAF CCCC(=O)Nc1n[nH]c2ncc(-c3ccc(-c4ccccc4)cc3)cc12 13489650 QSXQMPVZQTYTNO-UHFFFAOYSA-N 356.429 5.031 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/c1ccccc1 13558846 QLLGIJVUFZVYAX-LHSCOCHDSA-N 374.524 5.693 0 1 FKAF CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=S)[nH]c1C 13727839 UQMLJOLGLHVTER-UHFFFAOYSA-N 368.289 5.675 0 1 FKAF COc1ccc(/C(=C(/c2ccc(F)cc2)C(F)(F)F)c2ccccc2)cc1 28003503 HXAAEYMJWRKTGT-MRCUWXFGSA-N 372.361 6.356 0 1 FKAF CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(C)cc2)c1 28522954 XICKMYUDFYBMMA-UHFFFAOYSA-N 353.853 5.435 0 1 FKAF CCCC[C@H](O)c1cc2cc(C)c(C(=O)O)cc2n1CCc1ccccc1 28949291 WAFNQUKRGZSXOS-QFIPXVFZSA-N 365.473 5.114 0 1 FKAF O=c1[nH]nc(-c2ccccc2)c(-c2ccccc2)c1-c1cccc(Cl)c1 29209694 BPNVVFRRDNXHCF-UHFFFAOYSA-N 358.828 5.424 0 1 FKAF O=c1ccc2c(OCCCCCOc3ccccc3)c3ccoc3cc2o1 35858710 DHELRFGMFUIUOF-UHFFFAOYSA-N 364.397 5.167 0 1 FKAF CC[C@H](COc1cccc(Cl)c1)OC(=O)N(CC)Cc1ccccc1 36417084 DAAPAOPGQXIBAG-GOSISDBHSA-N 361.869 5.156 0 1 FKAF Cc1cccc(C)c1N1N=C(CC(c2ccccc2)c2ccccc2)CC1=O 40620282 QZTNQHCGTUUGHN-UHFFFAOYSA-N 368.480 5.618 0 1 FKAF Oc1cccc(-c2ccc3c(-c4ccc5[nH]ccc5c4)c(O)ccc3c2)c1 66100575 ZODDSISUZVJFLO-UHFFFAOYSA-N 351.405 6.066 0 1 FKAF CCOc1c(-c2occ(C)c2COC(C)=O)ccc2c(CC)cccc12 66100787 HECMCNDYTCBRBA-UHFFFAOYSA-N 352.430 5.432 0 1 FKAF CC(C)c1ccc([C@](O)(c2ccc(C(F)(F)F)cc2)c2cccnc2)cc1 72184660 LJFSAINKEOJJGO-NRFANRHFSA-N 371.402 5.508 0 1 FKAF CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(-c2ccc(Cl)cc2)cc1 95559476 DODFQCGVPIJAQJ-GMAHTHKFSA-N 365.948 6.431 0 1 FKAF Cc1cccc(-n2c(COc3ccccc3)nnc2SC2CCCC2)c1 95594717 BYEPTVBUCJVGCV-UHFFFAOYSA-N 365.502 5.189 0 1 FKAF CCCCCc1cc(NC(C)=O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 169323116 SKQAWBCCKFUROO-HNNXBMFYSA-N 355.522 6.122 0 1 FKAF CCCCN(CCCC)C[C@@H](O)c1cc2ccsc2c2ccccc12 169336971 RODAWXPCKCHUOS-OAQYLSRUSA-N 355.547 5.990 0 1 FKAF Cc1cc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)ccc1Br 586977624 SEFOEBFUANEKAV-UHFFFAOYSA-N 369.184 5.243 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4c(C)c(C)ccc4[nH]3)cc2)n1 587021036 GXPBYWUXDKMDBM-UHFFFAOYSA-N 365.527 5.904 0 1 FKAF CC(C)(C)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048628 IXDNHPAJQPBSPI-QWHCGFSZSA-N 359.300 6.438 0 1 FKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2cnc3ccccc3c2[nH]1 587048735 JUDFAIPXHQSZSI-VXGBXAGGSA-N 354.240 5.689 0 1 FKAF CCCCCCc1c(C(=O)O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587100000 CPWXHGYQYMRYDJ-UHFFFAOYSA-N 373.452 5.576 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2cc(F)cc(Br)c2[nH]1 587155033 ILWHAKFWASCCBO-ZDUSSCGKSA-N 367.193 5.134 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)(C(C)(C)C)CC2=O 587483134 VJCRTNPBVXVDJU-QHCPKHFHSA-N 368.473 5.260 0 1 FKAF Cc1[nH]c2cc(F)ccc2c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 587633497 FCYCWYZDXHALIF-UHFFFAOYSA-N 370.733 5.540 0 1 FKAF CCOc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1OCC 587920074 CPGQIUNDBYDFSC-UHFFFAOYSA-N 359.878 5.928 0 1 FKAF C[C@@H](Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12)c1ccccc1 653913925 UGWVMUVMAMWCQB-LLVKDONJSA-N 367.663 5.597 0 1 FKAF Cc1c(F)ccc2c1[C@@H](c1ccc(SCc3ccccc3)o1)NCC2 962373045 IITJIJTYJHLARH-OAQYLSRUSA-N 353.462 5.255 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2cccc(C)c2C)(C2CCCC2)N1 962943370 GRPJELOSVDDGOP-FQRUVTKNSA-N 372.556 6.143 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCc2cc(C)cc(C)c2)(C2CC2)N1 962953319 QQTWYGCDVRFMJZ-QFQXNSOFSA-N 372.556 5.947 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2csc(-c3cccs3)n2)N1 962961637 XVQAGVGAHRXCAU-BLVKFPJESA-N 365.527 5.367 0 1 FKAF Cc1ccc([C@@]2(C(F)(F)F)c3ccc(F)cc3C[C@@H]3CCCN32)cc1C 963102670 NECUJXNRDSOTLC-ICSRJNTNSA-N 363.398 5.269 0 1 FKAF CC(C)c1cccc2c1Sc1ccccc1[C@@]21NCCc2ccc(O)cc21 963354733 ZFXDEPUWJVRWCH-XMMPIXPASA-N 373.521 5.418 0 1 FKAF CCOC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](OC(=O)CC)CC[C@H]34)[C@@]2(C)CC1 2356382132 NULCEDVSYYAIBD-HHNLCZHGSA-N 372.549 5.801 0 1 FKAF CC(=CCc1c(O)cc(C)c(C=O)c1O)CC[C@@]1(C)[C@H](C)C(=O)CC[C@H]1C 2356561715 JSPPDMSCDGJJOM-SEPYTNNBSA-N 372.505 5.129 0 1 FKAF COc1ccccc1Cc1c(-c2ccccc2)nc2c3ccccc3ccn12 199364225 YLGXMKPBWPXSEZ-UHFFFAOYSA-N 364.448 5.754 0 3 FKAF CCN(CC)CCCCCOC(=O)[C@@](C)(c1ccccc1)C1CCCCC1 13453153 SHORJVPMMAZEFL-DEOSSOPVSA-N 373.581 5.580 0 1 FKAF Oc1ccc([C@@]2(c3ccccc3)[C@@H](c3ccccc3)C2(Cl)Cl)cc1 13649368 BXXFQDJABDJKOP-UXHICEINSA-N 355.264 5.650 0 1 FKAF CCN(CC)CCCCCCN1c2ccccc2CCc2ccccc21 26663306 LXUIBXVPSSNUBS-UHFFFAOYSA-N 350.550 5.826 0 1 FKAF C[C@@H]([C@H](c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)N(C)C 28344015 ZZGVWUSRXVYCSC-HTAPYJJXSA-N 365.521 5.001 0 1 FKAF CC1(C)CC(/C=C/c2ccc(Cl)cc2)=Cc2c1sc1ncnc(N)c21 39031048 BGUQECPEELVHLW-ONEGZZNKSA-N 367.905 5.705 0 1 FKAF CCOC(=O)c1sc([C@@H](C)Nc2ccccc2)nc1-c1ccccc1 45227816 RVTYUWXLHROOAR-CQSZACIVSA-N 352.459 5.160 0 1 FKAF Cc1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nn2-c2ccccc2)cc1 49088060 YAJSFKZARGRZBU-UHFFFAOYSA-N 364.492 6.394 0 1 FKAF CC[C@@H]1CCCCN1c1cc(Oc2ccc(OC)c3ccccc23)ncn1 82067395 MKARJBHSUFPKFV-MRXNPFEDSA-N 363.461 5.200 0 1 FKAF O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1O 299837824 LDXLXFYSGFUTQF-OAHLLOKOSA-N 374.676 5.131 0 1 FKAF CCCCCCN(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1 299860107 ZSWLDCPFJBDZEP-UHFFFAOYSA-N 356.510 5.051 0 1 FKAF Cc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1Cl 587006495 OPUCPPVZUHFLMF-UHFFFAOYSA-N 360.642 5.207 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)c1 587160586 XDSCPAKNDPQESU-UHFFFAOYSA-N 371.774 5.232 0 1 FKAF COc1cccc(-c2cc(C[C@H]3CCCO3)nc3c2oc2ccccc23)c1 587367325 VMQRCVVWWIAIFT-GOSISDBHSA-N 359.425 5.378 0 1 FKAF CCCCC[C@]1(c2ccccc2)CC(=O)c2ccc(O)c(CCC)c2O1 587489272 OHHVXBJNNDEHCP-HSZRJFAPSA-N 352.474 5.786 0 1 FKAF C[C@]1(c2cc(Cl)cc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504427 WJTODZJVJJWOFH-HXUWFJFHSA-N 361.268 5.753 0 1 FKAF O=C1C[C@@]2(CCc3ccc(C(F)(F)F)cc32)Oc2c1ccc1c2CCCC1 587504587 FKWXYOVCHFGYIS-OAQYLSRUSA-N 372.386 5.391 0 1 FKAF C[C@]1(c2ccc(-c3ccccc3)o2)CC(=O)c2ccc3c(c2O1)CCCC3 587534668 XCRUIDRHFQHCNJ-XMMPIXPASA-N 358.437 5.706 0 1 FKAF Cc1cc(C)c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587603221 ODLHRFFSWNUQAW-QPPBQGQZSA-N 374.436 5.329 0 1 FKAF Cc1ccc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587808321 YHPURUOJNUFBDQ-NSPYISDASA-N 373.269 5.002 0 1 FKAF CCCCC1(CCCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814728 VFASJIUCQVRODP-ZDUSSCGKSA-N 356.323 5.698 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C3CCC3)c2)N1 587821605 WGQBPSYHVQMUST-ODXCJYRJSA-N 374.297 5.479 0 1 FKAF COc1cccc(C2(c3nc4ccc(Br)cc4[nH]3)CCCC2)c1 587932507 YYSHINGJSIZIIJ-UHFFFAOYSA-N 371.278 5.194 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc(Cl)nc(Cl)c4[nH]3)ccc2c1 587936204 ZWFDXAKGZWJFGI-SNVBAGLBSA-N 372.255 5.578 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587952605 UOCVTPKJOGLZQO-MMPTUQATSA-N 374.834 6.282 0 1 FKAF Brc1ccc2c(-c3nc4ccccc4c4cc[nH]c34)c[nH]c2c1 1857629103 QPRCBJPZSAGJCR-UHFFFAOYSA-N 362.230 5.627 0 1 FKAF O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)C1CCC2(CC1)CC2 1857654194 LAXMDGYCWFDADP-UHFFFAOYSA-N 354.397 5.224 0 1 FKAF CC[C@H](C)CCCCCCCC=C[C@@H](C)[C@@H](O)CCCCCC(=O)O 2356402373 FVAQKIAHIHAUHV-HBMCJLEFSA-N 354.575 6.352 0 1 FKAF CC(C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356478538 HWRYKNYRSRPFPM-ZYINQVSOSA-N 372.637 6.855 0 1 FKAF COCC[C@H](CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]12C)C(=O)OC 2356509221 IARINBYKFZKPKN-WEMPKCCASA-N 350.543 5.391 0 1 FKAF Cc1c(-c2ccc(-c3ccccc3)cc2)nc2cccc(Cl)c2c1C(=O)O 6068948 ALBQBKQVMVZCOP-UHFFFAOYSA-N 373.839 6.229 0 1 FKAF CCCCC[C@@H](O)c1cccc(OCc2cccc(C(F)(F)F)c2)c1 25987683 KOFXOCZOOZGDDT-LJQANCHMSA-N 352.396 5.898 0 1 FKAF CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1[C@@H]3O 26665063 KJDBORWRPHJLDO-SFHVURJKSA-N 356.263 5.119 0 1 FKAF Cc1cccc(N2C(=S)CS[C@H]2c2c(Cl)cccc2Cl)n1 32071537 HIOXNQTWOAFZIN-HNNXBMFYSA-N 355.315 5.276 0 1 FKAF C[C@@H](CCc1ccccc1)Nc1cc(Oc2ccccc2Cl)ncn1 82067689 XMLBUEXHPMHZKB-HNNXBMFYSA-N 353.853 5.356 0 1 FKAF CCCCC[C@@H](COc1ccc(C(=O)OCC)cc1)Cc1ccccc1 103179058 QPMHXSVXHQZZHR-HXUWFJFHSA-N 354.490 5.681 0 1 FKAF CSc1ccc(CN2CCC[C@@H](Nc3cccc4cnccc34)C2)cc1 114335520 DMQNUCUGOVADJT-LJQANCHMSA-N 363.530 5.033 0 1 FKAF Cc1cc(Br)c2nc(-c3ccc(-c4ccc(C)o4)cc3)[nH]c2c1 586902969 JDPWRGFIHFLSIE-UHFFFAOYSA-N 367.246 5.869 0 1 FKAF CCc1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586959836 MUKZJMQGRBYUND-HHHXNRCGSA-N 374.509 5.164 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(O)c(Cl)c3)nc3ccc(O)c1c23 586986756 UCOKFYWOQRGZOX-UHFFFAOYSA-N 373.795 5.178 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4ccnc(Cl)c4[nH]3)c2o1 587002561 BJFKJWYAGHHYQJ-UHFFFAOYSA-N 362.614 5.095 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4cncc(Cl)c4[nH]3)c2o1 587004627 WJPZMOSYROAJCR-UHFFFAOYSA-N 362.614 5.095 0 1 FKAF Cc1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2n1 587015566 QCJORDQCAOOQQC-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF Cc1c(Cl)ccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587028943 BXKFUYNAWUHQBM-UHFFFAOYSA-N 355.850 5.227 0 1 FKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3ncccc3Cl)nc2c1 587065566 SAGIDNJUQWBRTC-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF Cc1c(-c2nc3ccc(OC(C)C)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587076210 QFDNHFJVEJXYJF-UHFFFAOYSA-N 366.852 5.165 0 1 FKAF CC(=O)[C@@H](c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106509 IMEPAFILWMYBFD-QHCPKHFHSA-N 363.416 5.167 0 1 FKAF CC(C)(C)c1cccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 587117435 GXGJUQPJDGQUBT-UHFFFAOYSA-N 362.399 5.001 0 1 FKAF COc1c(F)cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1F 587135219 VLXLAQRWJOQWBH-UHFFFAOYSA-N 360.307 5.129 0 1 FKAF CCCOc1cc2nc(-c3ccc(F)c(F)c3)[nH]c2cc1Br 587143372 DUWVSTYPOVWUKR-UHFFFAOYSA-N 367.193 5.059 0 1 FKAF Cc1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587159384 OGBXQCLQRWAUNF-HXUWFJFHSA-N 366.823 5.832 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@H]3C2CC2)c1 587366357 LFHODWKDVIRGOD-SFHVURJKSA-N 369.464 6.487 0 1 FKAF CC1(C)[C@H](Oc2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526389 VCUQMKCAJBBIIQ-ZJSXRUAMSA-N 362.469 5.147 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H](C1CCCC1)C2 587605017 WSXKYVZULXEMHE-GRWTVWFQSA-N 364.441 5.083 0 1 FKAF Fc1ccc2c(-c3ccc(Cl)cc3)c(CCCc3ccccc3)[nH]c2c1 587632402 BBLVHNYFTXDOEY-UHFFFAOYSA-N 363.863 6.803 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cccc(Cl)c3)c2c1 587641114 KAHPXPMEYLYCBY-GFCCVEGCSA-N 369.848 5.352 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3F)c(-c3ncc[nH]3)c2c1 587642722 PTVYAIPHXPQDCM-LBPRGKRZSA-N 367.855 6.531 0 1 FKAF C[C@H]1C[C@@H](C)C[C@H]([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 587815423 MRKKIXXCJQLSSG-LPWQZMBTSA-N 368.334 5.410 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCC(C)(C)C2)N1 587818429 DDICKADGECSIAO-ZUCKAHLUSA-N 354.307 5.380 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCCCCCC2)N1 587824652 YEILQUWLEHFSSI-XIKOKIGWSA-N 354.307 5.524 0 1 FKAF CN(CCCCC(=O)n1c2ccccc2c2ccccc21)Cc1ccccc1 653700298 TZGJYIMBZKYYOJ-UHFFFAOYSA-N 370.496 5.737 0 1 FKAF COc1ccc(-c2cc(-c3cc4ccccc4nc3Cl)cc(O)n2)cc1 1857592943 NBHWRBJRIBGVOK-UHFFFAOYSA-N 362.816 5.331 0 1 FKAF Oc1ccc2c(c1)-c1nc(-c3ccccc3F)cc(-c3ccccc3O)c1C2 1857611547 SZDFSKNZOMILFJ-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CCC(=CCc1ccc2c(c1O)C(=O)C[C@H](c1ccccc1O)O2)CC 1857650898 JWVHEJMNQOCLJA-HXUWFJFHSA-N 352.430 5.093 0 1 FKAF Fc1cc(CCc2ccc(-c3ccncc3)cc2)cc(-c2ccncc2)c1 1857655368 BEOPIADEMINPBA-UHFFFAOYSA-N 354.428 5.735 0 1 FKAF Fc1cccc(F)c1[C@H]1SCc2nc3cc(Cl)c(Cl)cc3n21 5580438 UNWMWGMVLBGSJO-OAHLLOKOSA-N 357.212 5.415 0 1 FKAF Clc1ccc2c(c1)[C@H]1NCC[C@H]1[C@H](c1c[nH]c3ccc(Cl)cc13)N2 6567463 LRXPVHXBVVJXRU-ZUSMLRIVSA-N 358.272 5.292 0 1 FKAF CN1Cc2ccccc2[C@](C)(c2ccccc2)N=C1CCc1ccccc1 13600309 SRQISTJWHGAPAQ-VWLOTQADSA-N 354.497 5.427 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)(C)CC 13761108 LWMKFJMMWYARBR-AILJCPQKSA-N 373.625 7.437 0 1 FKAF CCCCCCOc1nsnc1C1=C[C@@]2(C)CCCC[C@]2(C)N(C)C1 26288364 XRCZXVLJAJAWHZ-UXHICEINSA-N 363.571 5.165 0 1 FKAF F[C@@H]1Cc2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2[C@H]1F 36080429 PSRFKHITIJTTIS-ZJUUUORDSA-N 357.109 5.103 0 1 FKAF COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@@]2(C)[C@H]1C=C[C@@]2(O)c1ccccc1 40786364 PRCGTYKZJAVITA-KFEALIJWSA-N 360.497 5.215 0 1 FKAF Cc1nc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)sc1C 40915325 WNJJVXQAJXMKMQ-XPJNUEMQSA-N 374.509 5.386 0 1 FKAF Cc1ccc(-n2c(Nc3nc(-c4ccccc4)cs3)n[nH]c2=S)cc1 49784112 KBMLGHOVHKNVPQ-UHFFFAOYSA-N 365.487 5.105 0 1 FKAF CCCC[C@H](CC)CNCc1coc(-c2ccc(Br)cc2)n1 72184818 JFBLCXBWJWCTCQ-AWEZNQCLSA-N 365.315 5.410 0 1 FKAF CCN(Cc1cccnc1)c1cc(F)cc(-c2nc3ccccc3s2)c1 96901606 JOJLHQJMMXWUOO-UHFFFAOYSA-N 363.461 5.524 0 1 FKAF O[C@H]1CCC[C@@H](c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 142607912 MBWWOZAOTCKLFQ-AEFFLSMTSA-N 361.445 5.031 0 1 FKAF COc1cc(C2=CCOc3ccc(-c4ccccc4)cc32)cc(OC)c1OC 299868315 ZUVBEQREOYUQTM-UHFFFAOYSA-N 374.436 5.204 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(Cl)cc(Cl)c2[nH]1 586880110 YNYXBQSDENLTRW-UHFFFAOYSA-N 353.252 6.512 0 1 FKAF Clc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2nc1Cl 587051104 RWALETKTMWJFKD-RNFRBKRXSA-N 373.070 5.843 0 1 FKAF Clc1ccc2ccn(Cc3nc4cc(Cl)c(Cl)cc4[nH]3)c2c1 587080683 OMPMBRCGXWENRO-UHFFFAOYSA-N 350.636 5.526 0 1 FKAF Cc1nccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc12 587082196 IBUOBQIKEFMYFV-UHFFFAOYSA-N 370.843 5.802 0 1 FKAF FC(F)(F)c1cc(Cl)c(-c2cc3c4c(cccc4n2)CC3)c(Cl)c1 587210894 YOWHEBITFZLBCY-UHFFFAOYSA-N 368.185 6.326 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2n1 587242211 JDYFVUSJEAJQSO-UHFFFAOYSA-N 358.445 5.372 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1cccc(Cl)c1)(CC(C)C)O2 587376425 CISAJYWKKPIEIR-NRFANRHFSA-N 357.881 5.223 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@](C)(CC)Oc2ccccc21 587484140 RYCWVVBGOYHPIX-GOTSBHOMSA-N 366.457 5.157 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cccc(O)c3)c1)CC2=O 587485407 VGLJYWHWGPIKDB-HSZRJFAPSA-N 374.436 5.424 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccsc3)cs1)CC2=O 587496647 ZCCSSEPKIWGMCL-SFHVURJKSA-N 370.495 5.841 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)sc3ccccc13)CC2=O 587497990 XTOCWFKCGGBZRD-SFHVURJKSA-N 352.455 5.574 0 1 FKAF COc1ccc2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526934 SYNAZRUQVUAQIX-JOCHJYFZSA-N 358.437 5.434 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(CC(=O)OC)c2c1 587641144 KPTYOFUGNNUOCU-CYBMUJFWSA-N 355.865 5.717 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(NC(C)=O)cc3)c2c1 587644037 ZLABTGIDIDIMLZ-CYBMUJFWSA-N 363.461 5.201 0 1 FKAF Cc1cc(C)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587813375 BWMIHWWRTGBVGI-DJJJIMSYSA-N 362.286 5.003 0 1 FKAF CCCCC/C=C/CC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817571 CPQPTDIDXYAKJV-KDCQFRKDSA-N 368.334 6.080 0 1 FKAF CC(C)[C@H]1CCC[C@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587820212 ZBOKZPPIQTYTKO-BIENJYKASA-N 368.334 5.554 0 1 FKAF CC(C)C1CCC([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587822666 LVVXXSKESNKVFL-WBICIVBESA-N 368.334 5.626 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCCCC1 587858903 OZDNFVRBBXTOHR-UHFFFAOYSA-N 367.276 5.476 0 1 FKAF CC/C(=C/c1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(C)cc1 587968450 SUAPETWHNSLSHR-SILNSSARSA-N 368.480 6.401 0 1 FKAF COc1ccc2c(c1OC)C1(CCCCCCCCCCC1)N(C)[C@@H](C)C2 962617306 CFPORWRAFMEMNA-IBGZPJMESA-N 373.581 6.080 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]21CCC[C@H]1c1ccccc1Cl 963099631 PMNKVFJMXOMXHV-XJABCFGWSA-N 355.884 5.663 0 1 FKAF Cc1cc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)sc1Br 963115403 WOQQXFYBXJEFJU-XJKSGUPXSA-N 366.299 5.068 0 1 FKAF CC(=O)Oc1cc(C)cc2c1C=C[C@@](C)(CCC=C(C)CCC=C(C)C)O2 2356284248 TXZBIVQJZRNDRD-XMMPIXPASA-N 368.517 6.558 0 1 FKAF CC1=CCC[C@]2(C)CC[C@@H]3CCC(C)(C)[C@H](O)[C@@H]3[C@H]2CCC(C)=CCC1 2356580580 YCOBKYRODIQCDT-ZFAFIAQSSA-N 358.610 7.063 0 1 FKAF CC(C)=CCCC(C)=CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 2356609431 ABWKPQNPNVWXDB-XMMPIXPASA-N 356.550 6.874 0 1 FKAF CC(=O)CC[C@H]1C(C)(C)CCC[C@@]1(C)C(=O)CCC(C)=CCOC(C)=O 2356685903 KHGRKRPUNMGKCC-SIKLNZKXSA-N 364.526 5.047 0 1 FKAF O=C1c2ccc(Cl)cc2CC[C@H]1C1CCN(CCc2ccccc2)CC1 13734327 FBCHBSLRWJFVBX-NRFANRHFSA-N 367.920 5.040 0 1 FKAF Fc1ccc(-n2cc(OCCN3CCCCC3)c3cc(Cl)ccc32)cc1 13758611 GAOSWGAJUGKDAT-UHFFFAOYSA-N 372.871 5.288 0 1 FKAF COc1cccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)c1 27730618 RFNVDMKXJPQRBI-UHFFFAOYSA-N 360.844 6.073 0 1 FKAF COCCn1cc(C(=O)c2ccccc2-c2ccccc2)c2ccccc21 72119778 SMKPOZPKVRWRFT-UHFFFAOYSA-N 355.437 5.186 0 1 FKAF Cc1ccc(C2=N[C@H](c3ccc(C)cc3)c3c(ccc4ccccc34)O2)cc1 84732075 PHRKKHWZWSCXCY-RUZDIDTESA-N 363.460 6.385 0 1 FKAF COc1cc(C(=O)O[C@H]2/C=C(/C)CC/C=C(/C)CC[C@H]2C(C)C)ccc1O 169336984 PQAYAZRCPJMQRB-ITWZJWAJSA-N 372.505 5.665 0 1 FKAF CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)N[C@@H](C)CO 169692764 SQKRUBZPTNJQEM-CETHYRJRSA-N 361.570 5.629 0 1 FKAF COc1cccc(N[C@H](C(=O)c2c[nH]c3c(F)cccc23)c2ccccc2)c1 218330303 KUOWOXBFGIZFIP-NRFANRHFSA-N 374.415 5.352 0 1 FKAF CO[C@H]1CC[C@H]2[C@@H](CC[C@H]3CC4=CC[C@@H]5C[C@@H](O)CC[C@@H]5[C@H]4CC[C@@H]32)C1 238774431 SZAJWRKZJNIUSA-FXMITRFCSA-N 358.566 5.351 0 1 FKAF CC(=O)Nc1ccc([C@@H]2CC(C(C)(C)C)=NN2c2ccc(Cl)cc2)cc1 299833010 UWCPJYHILBRXKH-IBGZPJMESA-N 369.896 5.652 0 1 FKAF CCc1ccc(-c2nc3ccc4ncccc4c3[nH]2)cc1Br 586976081 CJJMHLRKFNTHBN-UHFFFAOYSA-N 352.235 5.103 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccccc1CCC3 586992212 ZQSKGMZYTNTAIK-UHFFFAOYSA-N 363.416 5.308 0 1 FKAF Cc1ccc2c(ccc3nc(/C=C/c4cccc(Cl)c4Cl)[nH]c32)n1 587056025 YIPDCZYKKDVFAM-UXBLZVDNSA-N 354.240 5.897 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2cccc(Br)c2[nH]1 587062216 OAWPPQMIPRSZBN-ZDUSSCGKSA-N 365.658 5.509 0 1 FKAF Oc1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063149 FTFFZEMFASSROC-UHFFFAOYSA-N 350.805 5.168 0 1 FKAF CCCC(=O)O[C@H](C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097013 NKZFGJIUMGMKQF-CQSZACIVSA-N 359.425 5.159 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(C)c(F)cc4[nH]3)ccc2F)cc1 587139335 GVGDVVFSCMYBLM-UHFFFAOYSA-N 362.379 5.686 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cncc(C)c4[nH]3)c(Cl)c2)cc1F 587145574 MYCQERBWZULHSM-UHFFFAOYSA-N 351.812 5.701 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(Cl)cc3[nH]2)c1 587196170 RMOIJEASPQRMFY-UHFFFAOYSA-N 371.868 5.563 0 1 FKAF Cc1ccc(-c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)cc1Cl 587209601 TYRHWSRTPCLNEK-UHFFFAOYSA-N 355.868 6.629 0 1 FKAF Cc1c(OCc2ccccc2)ccc(-c2cc3c4c(cccc4n2)CC3)c1O 587212721 CEKPOCKPTNSIRM-UHFFFAOYSA-N 367.448 5.593 0 1 FKAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)C1CCCC1 587226411 QAJIPZLZHYPLMC-GOSISDBHSA-N 371.525 5.616 0 1 FKAF CCCCC[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352042 IDOXPMIJGCVLSY-IFMALSPDSA-N 356.437 5.619 0 1 FKAF COc1cccc(-c2cc(-c3cc(C)c(C)o3)nc3c2oc2ccccc23)c1 587365528 IIXGYMUAEBVQDE-UHFFFAOYSA-N 369.420 6.533 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(=O)[C@@H](C)CC3)c1 587367851 YDFXJMRDRBQSMQ-ZDUSSCGKSA-N 357.409 5.422 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(OCC)cc1C)CC2=O 587478129 IAZWUDVBIXZCHX-FQEVSTJZSA-N 354.446 5.067 0 1 FKAF CCCc1c(O)ccc2c1OC1(CCC(C)(c3ccccc3)CC1)CC2=O 587481455 MFNDWQGSHYBVNG-UHFFFAOYSA-N 364.485 5.581 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccc(F)c(F)c3)c2c1 587642714 PNHVMMAPLMUWQN-OAHLLOKOSA-N 361.435 7.294 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(Cl)c3)c(C(=O)C(=O)OC)c2c1 587643024 YHYLUTYWJMDXTP-GFCCVEGCSA-N 369.848 5.358 0 1 FKAF FC(F)(F)Sc1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 587780926 MCQBYNZYKMZVGT-QPJJXVBHSA-N 364.392 5.405 0 1 FKAF c1ccc(-c2ccc3c(c2)CCN[C@H]3c2ccc(-c3ccccc3)nc2)cc1 962667560 LWLFCLPLHGWQAD-SANMLTNESA-N 362.476 5.651 0 1 FKAF c1ccc(C2=NO[C@@H](c3ccc([C@H]4CC(c5ccccc5)=NO4)cc3)C2)cc1 1857655571 GADAQTQNJJHYMF-DNQXCXABSA-N 368.436 5.418 0 1 FKAF CCc1sc(-c2ccc(Cl)cc2)nc1OCCCN1CCCCC1 1857768767 XLIRRJABCDCGFT-UHFFFAOYSA-N 364.942 5.281 0 1 FKAF CCC(=O)CCC(C)=CCCC(C)=CCCC=C[C@H](C)C[C@@H](C)C(C)=O 2356475443 CLTCZDNSFUWVFV-FCHUYYIVSA-N 360.582 7.006 0 1 FKAF CC(C)=CCC[C@]1(C)CC[C@@H]2C(C)=CCC[C@]2(C)[C@@H]1CCC(C)=CC(=O)O 2356797947 OQQNJVBLPBUXTO-MFYODDQASA-N 372.593 7.323 0 1 FKAF CC(=O)Nc1ccc(Cl)c(COc2cccc3cnccc23)c1Cl 579981 YXVRCTRMIKAODR-UHFFFAOYSA-N 361.228 5.079 0 1 FKAF investigational CC(C)=CCC/C(C)=C/CN(C)C(=N)N(C)C/C=C(\C)CCC=C(C)C 13378014 NQJSPBXUQXWVRB-YHARCJFQSA-N 359.602 6.170 0 1 FKAF CCCCOc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC)c1Cl 26021995 NXXDBYHTZQZFDQ-UHFFFAOYSA-N 367.487 5.403 0 1 FKAF CC[C@]1(CC(=O)O)CC[C@@H](Cc2ccccc2)c2c1[nH]c1c(C)cccc21 26296217 QQXXLYSSGPILMY-MHECFPHRSA-N 361.485 5.719 0 1 FKAF CC(=O)O[C@@]1(C(C)(C)C)CCN2C[C@@H](c3ccc(Cl)cc3)CC[C@@H]2C1 29414766 WXEITQYMERUKLX-DSKINZAPSA-N 363.929 5.030 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC[C@@H]4CCCC[C@]4(C)C3=CC[C@@]21C 33820880 RZERMLCGRJKRCR-OPZPEFFGSA-N 356.550 6.377 0 1 FKAF COc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(O)cc3)c(=O)o2)cc1 40979585 RRCIYPVEWMOCQC-UHFFFAOYSA-N 370.404 5.355 0 1 FKAF CCO[C@H](c1ccc(C(F)(F)F)cc1)[C@@H](SC(C)(C)C)n1ccnc1 45393046 QPZWFNIAKRQNMF-HZPDHXFCSA-N 372.456 5.710 0 1 FKAF Clc1cccc(CN[C@H]2CCCC[C@H]2NCc2cccc(Cl)c2)c1 66097629 GRZTZGHRHOSRLV-BGYRXZFFSA-N 363.332 5.184 0 1 FKAF FC(F)(F)c1ccccc1-c1ccc2nc(/C=C/C3CCOCC3)[nH]c2c1 73296828 JNECPFJVZABNRG-VMPITWQZSA-N 372.390 5.689 0 1 FKAF Cc1cnc(-c2cnc(NCC3CCCCC3)nc2-c2ccccc2C)o1 82177298 WJCHTKDMVYVENI-UHFFFAOYSA-N 362.477 5.408 0 1 FKAF O[C@@H](CCN1CC=C(Cc2ccccc2)CC1)c1cc2ccccc2s1 84669198 NBIWTPBSAFCSRX-NRFANRHFSA-N 363.526 5.200 0 1 FKAF CCCCCc1cc(OCCCN)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 89455885 QXKBWAXSZOGZRA-WOJBJXKFSA-N 371.565 5.758 0 1 FKAF CC1=CC[C@@H]2[C@@H](C1)c1ccc(CCCCCC(C)(C)C)cc1OC2(C)C 95607434 BEBBFNSWULOPQQ-FCHUYYIVSA-N 354.578 7.447 0 1 FKAF COc1ccc(CNc2[nH]c3ccccc3c3nc(C4CCCC4)nc2-3)cc1 101402765 NMNXNXBJMJJOAZ-UHFFFAOYSA-N 372.472 5.341 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C\COc1ccc(CCC(=O)O)cc1 146767814 GWEOLLCXJGXWOD-PGJJUSORSA-N 370.533 6.502 0 1 FKAF Cc1cncc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c12 586983130 WBCYEKVQNAPZJY-OAHLLOKOSA-N 372.310 5.401 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(F)cc(F)c4O)nc13)-c1ccccc1C2=O 586995157 JFCIANMFTQAUIA-UHFFFAOYSA-N 373.358 5.405 0 1 FKAF CCc1ccc(-c2nc(-c3nc4ccc5nc(C)ccc5c4[nH]3)cs2)cc1 587016522 XQXHSIOKLLBVAE-UHFFFAOYSA-N 370.481 5.772 0 1 FKAF CC(C)(C)c1cccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587075696 GZDMQQXVXYZJOO-QGZVFWFLSA-N 353.853 5.131 0 1 FKAF FC(F)(F)c1ccc(-c2nc3cc(Cl)cnc3[nH]2)c(C(F)(F)F)c1 587094834 IYHJEZNOEBBFNZ-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF O=C1c2ccccc2-c2cc(COc3ccc(F)c(F)c3)nc3cccc1c23 587102604 BMBKSZANWWFLMS-UHFFFAOYSA-N 373.358 5.303 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(C)ccc(C)c4[nH]3)c(Cl)c2)cc1F 587144761 DQEHAIXDXNOISJ-UHFFFAOYSA-N 364.851 6.615 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)c1 587160277 PBGINHFHKPLBBL-UHFFFAOYSA-N 372.321 5.462 0 1 FKAF Nc1sc2c(c1-c1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)CCC2 587208310 PHGALQUWJUTIEZ-UHFFFAOYSA-N 368.461 5.246 0 1 FKAF CC(C)[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347564 BKYIQVKBMGPGQE-QPJICYPMSA-N 354.421 5.085 0 1 FKAF CCCc1c(O)ccc2c1OC1(CCC(c3ccc(F)cc3)CC1)CC2=O 587472422 QDJMCUBQXPTBQA-UHFFFAOYSA-N 368.448 5.546 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(C13CC4CC(CC(C4)C1)C3)CC2=O 587490041 QWKZKVFHUMMWHL-WCZBPMHTSA-N 368.517 5.675 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3c1CCCC3)CC2=O 587490755 UPYKZTPEYMLXHK-QHCPKHFHSA-N 350.458 5.104 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccsc3)o1)CC2=O 587494816 LXYGOLRATRLWOG-IBGZPJMESA-N 354.427 5.373 0 1 FKAF CC[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504820 GIZQFWJNMYFFDM-NRFANRHFSA-N 374.402 5.855 0 1 FKAF Cc1cc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc2cc1C 587528316 WVGWODNYCVSLIW-QHCPKHFHSA-N 357.453 5.437 0 1 FKAF C[C@@H]1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587603310 LUPUKIZUTYXMGY-YFMCZXFPSA-N 372.420 5.147 0 1 FKAF Cc1c([C@@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2c(C)cc(Cl)cc12 587627116 OHHPMELUDDVTDM-INIZCTEOSA-N 362.901 5.900 0 1 FKAF CC(C)=C1CC[C@@H](C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587817124 IVWQCKDYWOTSQZ-QHRIQVFBSA-N 366.318 5.474 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CCCCCC2)N1 587820946 RJPJYUGWSFFYHY-XIKOKIGWSA-N 354.307 5.308 0 1 FKAF CC[C@H](C)c1ccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873670 KBOVGDSNZLOUSI-ZDUSSCGKSA-N 366.392 5.028 0 1 FKAF Oc1cc(-c2ccco2)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587944457 CDNIYNRKRANXRW-INIZCTEOSA-N 367.376 5.114 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCO3 587957382 KUSSRSWEGRULRI-UHFFFAOYSA-N 374.481 5.210 0 1 FKAF Cc1c(F)ccc2c1[C@@](CCCC1CCCCC1)(c1ncco1)NCC2 962369840 BIJVCYADEVAQOD-QFIPXVFZSA-N 356.485 5.262 0 1 FKAF Cc1cccc(C)c1-c1cccc(COc2csc(CCC(=O)O)c2)c1 1772634912 DZCSLUNQZPFOMW-UHFFFAOYSA-N 366.482 5.628 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NC(C)C 1857594669 JUQURBBQLKWGQT-YNUSHXQLSA-N 369.593 6.989 0 1 FKAF O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)Oc1ccccc1 1857610674 ZGGFXQIGJHWKRY-UHFFFAOYSA-N 364.788 5.759 0 1 FKAF CCCCCc1ccc(-c2cn([C@@H]3CCCCc4ccccc43)nn2)cc1 1857621700 ISBYSKHHLKSVMK-XMMPIXPASA-N 359.517 5.994 0 1 FKAF CC(=CCc1c[nH]c2ccccc12)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356546868 UETBQCBTOMNFHW-JOCHJYFZSA-N 355.522 5.295 0 1 FKAF O=C(SCCc1ccc(O)cc1)SCc1ccc(Cl)cc1Cl 2382255763 OZKGVOKOVPKPOQ-UHFFFAOYSA-N 373.326 6.028 0 1 FKAF Cc1cc(Cl)ccc1-c1nc(NCc2ccccc2)nc2ccsc12 61926327 QIXVCRDIDMWDRL-UHFFFAOYSA-N 365.889 5.932 0 3 FKAF O=N/C(=C1/NC=C(C(F)(F)F)C=C1Cl)c1ccc(Cl)cc1Cl 100490357 VKHSMAOBNSDSTE-VAWYXSNFSA-N 369.557 5.601 0 3 FKAF O=C(Nc1ccccc1)n1ccc2ccc(-c3ccc4cc[nH]c4c3)cc21 200475632 RKXAJAKMSDKUPM-UHFFFAOYSA-N 351.409 5.870 0 3 FKAF Fc1cccc(-c2nc3c(Nc4cccc(C(F)(F)F)c4)nccc3[nH]2)c1 205214193 HYRAVQKMADHHAW-UHFFFAOYSA-N 372.325 5.526 0 3 FKAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](SC(=N)N)CC[C@]4(C)[C@@H]3CC[C@@]12C 254100935 BVOSELRYSDLZIT-UOICAXPBSA-N 374.594 5.150 0 3 FKAF CC[C@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26386651 DAXMFHJYAYLAJM-WSFBKWNLSA-N 373.581 5.081 0 1 FKAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCCCCCCCCCO)O2 28388497 FCXSTDYTRKHGRK-QHCPKHFHSA-N 362.554 5.904 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3C(=O)C[C@@]21C 33820858 FGDXIZHFWGVASQ-WJWIFTCOSA-N 374.565 5.715 0 1 FKAF Cc1ccc(-c2cc([C@H]3[C@@H](c4ccc(C)cc4)C[C@H]4CC[C@@H]3N4C)on2)cc1 36177172 IQNHMRJZPKQKFD-AXISIGTESA-N 372.512 5.692 0 1 FKAF CCCNC1=Nc2ccccc2C(c2ccccc2)=N[C@@H]1c1cccs1 40934490 UEODIONXKHRVLZ-OAQYLSRUSA-N 359.498 5.370 0 1 FKAF CCCc1ccc(Oc2ccc(-c3ccc([C@@H](C)NC(C)=O)cc3)cc2)cc1 45261120 XLOCOAMWTNHUNQ-GOSISDBHSA-N 373.496 6.296 0 1 FKAF Clc1ccc(-c2nc(CN[C@@H]3CCc4ccccc43)co2)c(Cl)c1 72142909 BKGXLDIMABGWPF-GOSISDBHSA-N 359.256 5.426 0 1 FKAF CCOC(=O)c1nc(-c2ccc(Oc3ccccc3)cc2)c2ccccc2n1 115759958 RNXLCVQTGOVJAW-UHFFFAOYSA-N 370.408 5.266 0 1 FKAF COc1cc(/C=C/c2ccc(O)cc2)c(OC)cc1/C=C/c1ccc(O)cc1 169311143 KNEVEDWUZHSSBG-LQIBPGRFSA-N 374.436 5.456 0 1 FKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1F 586996108 PMLZFUULTWESOT-UHFFFAOYSA-N 369.395 5.569 0 1 FKAF Clc1cnc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 587063837 ZDBSKVOUDDPKFF-UHFFFAOYSA-N 370.239 5.511 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 587080718 OUZLDHSYESVUKY-ZDUSSCGKSA-N 373.161 5.565 0 1 FKAF FC(F)(F)c1ccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(C(F)(F)F)c1 587095448 ZHLARXVZEDOAFP-UHFFFAOYSA-N 370.256 5.144 0 1 FKAF COc1ccc(F)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587102710 DTNZPKHVXHFBEW-UHFFFAOYSA-N 355.368 5.261 0 1 FKAF CCCCc1c(-c2ccc(OC(F)(F)F)cc2)nc2cccc3c2c1CC3 587210276 MLOIPYRGRSRQHD-UHFFFAOYSA-N 371.402 6.242 0 1 FKAF COc1cccc(-c2c(C(C)C)c(C(C)(C)C)nc3c2oc2ccccc23)c1 587366109 RSFDDFBHKSLWSQ-UHFFFAOYSA-N 373.496 7.078 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ccc(Cl)c1Cl)O2 587375379 LTICYBGMIKGVJO-CYBMUJFWSA-N 356.636 5.244 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1cc4c(Cl)cccc4s1)[C@@H](C2)C3=O 587450507 FQFNKAMXFLVHNI-HXPMCKFVSA-N 356.830 5.052 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c3c(c1)CC(C)(C)O3)CC2=O 587475875 AYOMCXPXGDKAOM-FQEVSTJZSA-N 366.457 5.073 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CC3CCC2CC3)N1 587819084 KXVAJPNSFYDGON-ZVPZDMSZSA-N 366.318 5.164 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)s2)N1 587849850 WPTJZLQAPNCYLW-ANRSDYALSA-N 374.706 5.101 0 1 FKAF Fc1cc2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2cc1-n1cccn1 587960531 DIAZWWIHPWLORY-UHFFFAOYSA-N 368.415 5.146 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc(Cl)cc2)c1 1772623902 DVICTCFVRDMEKH-UHFFFAOYSA-N 357.240 6.304 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(O)c3)c3oc4cc(O)ccc4c3n2)cc1 1857760423 JTGRSDNMQCAIKA-UHFFFAOYSA-N 369.376 5.432 0 1 FKAF Clc1ccc2c(c1)C=C1CCCC3=Cc4cc(Cl)ccc4OC13O2 1911576411 RUFZPPJQZCHGIU-UHFFFAOYSA-N 357.236 6.125 0 1 FKAF CCC=CCC=CCC=CCCCCCCCCCc1ccc(C=O)[nH]1 2356494185 VEOUIFWXVMDSPJ-UHFFFAOYSA-N 355.566 7.349 0 1 FKAF CN(Cc1cccc(-c2ccncc2)c1)C(=O)Oc1ccccc1Cl 95570120 NNMVBUUQSZHUBT-UHFFFAOYSA-N 352.821 5.033 0 3 FKAF CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](C)C(C)C)cc1 775950 VISDEFZOPHDMBM-HNNXBMFYSA-N 356.510 5.537 0 1 FKAF Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O 2047004 WYKKHJQZENLZID-UHFFFAOYSA-N 357.384 5.715 0 1 FKAF in-vivo COc1ccc2c(c1)nc1n2[C@@H](c2c(Cl)cccc2Cl)SC1 13207753 GYCGPAKNEADXKK-MRXNPFEDSA-N 351.258 5.145 0 1 FKAF CC(C)=CCC[C@@]1(C)CCc2c(cc(O)c(C(=O)c3ccccc3)c2O)O1 13376318 HNILUNOZWDAQPO-QHCPKHFHSA-N 366.457 5.159 0 1 FKAF biogenic O=C(CCCCCSc1ccccc1)c1ncc(-c2ccccn2)o1 14980070 QWKHLSRRDRKRHH-UHFFFAOYSA-N 352.459 5.272 0 1 FKAF CCO[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)NC1CC1 26278612 WFDHVNIGSCUZMV-DEOSSOPVSA-N 372.430 5.445 0 1 FKAF CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)CC[C@H]3c1ccccc1 26280863 MWMIYAJDAPUMAJ-UUOWRZLLSA-N 361.485 5.779 0 1 FKAF Cc1cc2cccc(-c3cc(C)c4c(c3Cl)[C@@H](C)CC(C)(C)N4)c2[nH]1 29043491 ZCTMUXCBNPHOEP-ZDUSSCGKSA-N 352.909 6.803 0 1 FKAF CCSCCCC[C@H](c1ccc(O)cc1)[C@](C)(CC)c1ccc(O)cc1 29330666 JCDRAYIOBFSNHU-DHIUTWEWSA-N 372.574 6.473 0 1 FKAF C/C=C/C[C@@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 29409655 BSJYFMFPTGYKFE-YJJPMGAVSA-N 361.485 6.369 0 1 FKAF CC[C@H](C)Nc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2)n1 82163236 OJHXGOJULCPHHJ-AWEZNQCLSA-N 360.486 5.631 0 1 FKAF O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cnccc1Cl 96926873 NCXWAHCXIPNKIU-UHFFFAOYSA-N 365.845 5.264 0 1 FKAF Fc1c(Cl)cccc1-c1nc2ccn(Cc3ccc(Cl)cc3)cc-2n1 100068591 ZJNLFKRTKPGYKU-UHFFFAOYSA-N 372.230 5.544 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NC[C@H](C)O 169371984 HTNMZCWZEMNFCR-XERWTWMGSA-N 361.570 5.629 0 1 FKAF COc1cc(/C=C/c2ccc3c(c2)C=CC(C)(C)O3)cc(OC)c1OC 219355591 ONDYGGPSUYANQW-VOTSOKGWSA-N 352.430 5.067 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4cccc(Cl)c4[nH]3)c2o1 587004079 PJEUUDVYMVDMIO-UHFFFAOYSA-N 361.626 5.700 0 1 FKAF Cc1c(Br)cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1C 587161717 QAUNUKFKPOXCOK-ZIAGYGMSSA-N 359.242 5.352 0 1 FKAF O=C(c1c(Cl)cnc(Cl)c1Cl)c1coc2ccc(Cl)cc12 587278080 GNEZAQQFTDPMTD-UHFFFAOYSA-N 361.011 5.672 0 1 FKAF CC(C)(C)SC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370165 UWOFMOKWYYTSCO-WIYYLYMNSA-N 374.477 5.181 0 1 FKAF Cc1ccc(-c2csc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)c(C)c1 587414828 WFFFHHILIYTFRZ-LJQANCHMSA-N 364.470 5.024 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(O[C@H](C)CC)c1)CC2=O 587478392 ARUACPIZWFFMIS-SZNDQCEHSA-N 354.446 5.229 0 1 FKAF C[C@H]1CCCCCCCCCCCCc2nc3nc(O)nc(O)c3cc21 587561076 DGOQFAUIGMPCFG-HNNXBMFYSA-N 357.498 5.387 0 1 FKAF CC(C)[C@@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601197 FSAHFWAENNPWAZ-OFNKIYASSA-N 366.457 5.329 0 1 FKAF CCc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)(F)F)s1 587624677 RELSCJRKROQONO-UHFFFAOYSA-N 371.811 6.166 0 1 FKAF Cc1ccc(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)c(Cl)c1 587629015 YBDRHWBEKBDDGB-UHFFFAOYSA-N 351.208 5.483 0 1 FKAF O=C(c1cccc2ccccc12)c1c(C(F)F)[nH]c2cc(Cl)c(F)cc12 587629332 KTVCHFZERHXLSI-UHFFFAOYSA-N 373.761 6.282 0 1 FKAF Cc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1F 587784130 MBBZGXIRMXJADY-FMIVXFBMSA-N 358.416 5.760 0 1 FKAF CC(C)CC[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809650 ASWBTEGOQVBKAL-DJJJIMSYSA-N 370.350 5.800 0 1 FKAF CC(C)=C1CC[C@@H](C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587819242 UNWPOCBLRPALAR-VLXJIEOASA-N 366.318 5.474 0 1 FKAF CC[C@H](c1ccccc1)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820766 QTWJJAWEMRKGKQ-IOHHAYIISA-N 362.286 5.357 0 1 FKAF CC/C=C\CC/C=C\[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821643 WRMRLMDCSPNHOR-IANROJGPSA-N 352.291 5.466 0 1 FKAF COc1ccc(-c2ccc(C)cc2)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772605855 JNTPTMUTDKHKAK-SFHVURJKSA-N 367.470 5.042 0 1 FKAF CCC(C)(C)c1ccc(OCCCCCCCCN2CCC(C)CC2)cc1 1857537008 HZDUQTXNWTWVGF-UHFFFAOYSA-N 373.625 6.826 0 1 FKAF Clc1ccc(-c2nc3sccn3c2CNCCc2ccccc2)cc1 1857550664 MEWTWFSWGQWHGN-UHFFFAOYSA-N 367.905 5.049 0 1 FKAF C[C@@H]1C[C@@H](C(=O)Nc2nc3ccc(OC(F)F)cc3s2)CC(C)(C)C1 1857764610 ZBYCNBYEYWRADI-GHMZBOCLSA-N 368.449 5.299 0 1 FKAF Fc1cc(/C=C/c2ccc(-c3ccncc3)cc2)cc(-c2ccncc2)c1 1857773153 WZUNUNKEZOGQPB-OWOJBTEDSA-N 352.412 6.120 0 1 FKAF CC1=C[C@H](CNCC(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356286907 SEVWXXBPRGOORX-HBMCJLEFSA-N 367.581 5.514 0 1 FKAF CC(C)N(Cc1cccc(-c2ccco2)c1)C(=O)c1cc2ccccc2o1 2382223072 VBKRVSFHOYRESA-UHFFFAOYSA-N 359.425 5.744 0 1 FKAF CCCCc1nccn1Cc1ccc2[nH]c(-c3ccccc3C(=O)O)cc2c1 27845076 XOLUQEBWVRMUDA-UHFFFAOYSA-N 373.456 5.121 0 1 FKAF COc1cc(C(=O)O)ccc1-c1ccc(-c2cc3c(C)ccc(C)c3o2)[nH]1 29471828 TVUHLMSLBRHZOX-UHFFFAOYSA-N 361.397 5.419 0 1 FKAF Clc1ccccc1C[C@H](Cc1ccc(-c2ccccc2)cc1)n1ccnc1 32090101 IKHOVTYQYZIIMZ-QHCPKHFHSA-N 372.899 6.230 0 1 FKAF CCCC(=O)c1ccc2c(c1)/C(=C\[C@@H](C)CN(C)C)c1ccccc1S2 40511654 HHNWCWASPBLWFM-YZYPPFLQSA-N 365.542 5.763 0 1 FKAF CCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 40973389 PUBXDTLETUTKIJ-WOJBJXKFSA-N 370.577 7.164 0 1 FKAF in-vivo c1ccc(-c2cc(-c3csc(Nc4cc5ccccc5cn4)n3)on2)cc1 66079707 LJOQYVKVMLEDSA-UHFFFAOYSA-N 370.437 5.757 0 1 FKAF CC(C)CN[C@H](c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 103265740 WJQLOJRKFXLWBU-QFIPXVFZSA-N 350.893 5.737 0 1 FKAF Cc1cccc([C@@H](CC(C)C)C(=O)Nc2ccc(-c3ccnc(C)c3)cc2)c1 103273527 BMQXLFXKDZKRAB-XMMPIXPASA-N 372.512 6.134 0 1 FKAF CCCCC[C@H](Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O 163526669 USWXQWODEGJPLW-KRWDZBQOSA-N 366.567 6.113 0 1 FKAF CCCC1(c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)CCC1 586877435 ADKAJBWGGGZBED-UHFFFAOYSA-N 364.445 5.364 0 1 FKAF c1ccc(COc2cccc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c23)cc1 586892906 YBOOFCHYLHTJSD-CJFMBICVSA-N 366.464 5.513 0 1 FKAF Cc1ccc(SCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(C)c1 586964325 AIDPLBNWPJIXEW-UHFFFAOYSA-N 372.493 5.703 0 1 FKAF O=C1c2ccccc2-c2cc([C@@H]3CC4CCC3CC4)nc3ccc(O)c1c23 586992309 VFNVQJZRCGDHAG-MQBCKMQZSA-N 355.437 5.446 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2c(Cl)c(Cl)cnc2[nH]1 587062264 PQRULOYGBXMCNZ-JTQLQIEISA-N 356.640 5.448 0 1 FKAF Clc1ccc(CC/C(=C\c2nc3cnccc3[nH]2)c2ccccc2)cc1 587074598 ZXBFFUGSHNYDKJ-NBVRZTHBSA-N 359.860 5.785 0 1 FKAF Fc1cc(F)c(-c2nc3cc4ccccc4cc3[nH]2)cc1Br 587135732 CANBBMPRQILKFM-UHFFFAOYSA-N 359.173 5.424 0 1 FKAF Fc1cc(Br)ccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587142725 MJGSSBJCLUNNKB-UHFFFAOYSA-N 361.548 5.063 0 1 FKAF O=C(c1cc(-c2ccc(Cl)cc2)on1)c1coc2ccc(Cl)cc12 587279150 XFERIVSJDFBFJA-UHFFFAOYSA-N 358.180 5.626 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3noc(-c4ccccc4)c3c1)O2 587395304 PONGQXIDXQRJOE-NRFANRHFSA-N 370.408 5.092 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)cc(Cl)cc1F)CC2=O 587467213 RKXMMEGGFRJDCC-LJQANCHMSA-N 366.791 5.157 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc([C@@H](C)CC)cc1)CC2=O 587490205 SDKYYLWOAFSKHA-FYSMJZIKSA-N 366.501 6.129 0 1 FKAF CCCCCCc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)s1 587494309 KWJNGOABFTVALQ-FQEVSTJZSA-N 372.530 6.236 0 1 FKAF Cc1cc(OC(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587504377 IXLOJHKUMWWEDK-FQEVSTJZSA-N 372.411 5.490 0 1 FKAF CC(C)c1ccc(C[C@H](C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526777 SBYKUFLULOXSOQ-BXKMTCNYSA-N 362.513 5.901 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3cccc(OC)c3)c2c1 587640077 BMTKCKIWFDBKCX-GFCCVEGCSA-N 357.400 5.859 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)O)c2c1 587641490 JGQJJQOKNGVOCF-CQSZACIVSA-N 353.437 5.895 0 1 FKAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1CCC1CCCCC1 587656523 MNMIIQBRIRVBIO-UHFFFAOYSA-N 368.427 5.312 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(F)F)c2)N1 587717634 LUZGUTLSABNPBX-ABKXIKBNSA-N 370.212 5.149 0 1 FKAF C[C@H]1c2ccccc2CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587816820 DQPLIJGXKCWFFR-MTJIALIYSA-N 374.297 5.068 0 1 FKAF Cc1ccc(-c2csc(Cc3ccc(Br)cc3)n2)cc1C 587921051 QBCUIKQFSIHADH-UHFFFAOYSA-N 358.304 5.780 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(Br)cc(C)c2[nH]1 587950356 KKEOPWOFQXFLRB-PEYYIBSZSA-N 365.315 5.680 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2OC)(C(C)(C)C)N1 962946304 LEDPTWUEYKWQFO-VOIUYBSRSA-N 362.517 5.391 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(C)=O)c1ccccc1Cl 963232304 RJVIYMNYFAYOSA-AOMKIAJQSA-N 355.909 5.219 0 1 FKAF CO[C@@H]1CCCc2nc(Nc3ccc(Oc4ccc(F)cc4)cc3)sc21 1857770323 PEOXIVGWHQOKSV-GOSISDBHSA-N 370.449 5.842 0 1 FKAF CC1c2c(Cl)nc3ccccc3c2Oc2c1c(Cl)nc1ccccc21 1630123 ZJSYSJIRDCESCH-UHFFFAOYSA-N 367.235 6.347 0 1 FKAF O=C(Nc1ccc(F)cc1Cl)c1cc2c(=O)oc3ccccc3c2s1 2494664 RPYUACDNNXUSGI-UHFFFAOYSA-N 373.792 5.053 0 1 FKAF O=C(O)CCCCCCCCCCCCCCc1ccc2c(c1)OCO2 14591329 FSCOINDZTAFRMP-UHFFFAOYSA-N 362.510 6.114 0 1 FKAF biogenic,in-vitro Cc1c(-c2cccc(Oc3ccccc3)c2)nc2ccc(F)cc2c1C(=O)O 29326071 HZRPNXITDPVZMM-UHFFFAOYSA-N 373.383 5.840 0 1 FKAF COc1c(Cl)c(C)c(C=O)c(OC)c1C/C=C(\C)CCC=C(C)C 38542997 PXCIAEWMZOKYNO-GXDHUFHOSA-N 350.886 5.713 0 1 FKAF CC(C)c1ccc([C@H]2N=C(S)N(C(C)C)c3cc4c(cc32)OCO4)cc1 39290309 YTRDGEXKIOEWDP-HXUWFJFHSA-N 368.502 5.142 0 1 FKAF COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(C)c2)n1 59240042 RBSCPVUHCHQDCH-UHFFFAOYSA-N 362.454 5.758 0 1 FKAF O=C(O)CCc1ccc(OCc2cc(Cl)ccc2-c2ccccc2)cc1 84689554 WROWNDRSPMCZLY-UHFFFAOYSA-N 366.844 5.603 0 1 FKAF CCCCCNc1oc2c(C)ncc(CO)c2c1Nc1cccc(F)c1 95577572 PHOWHZLLEIRPRJ-UHFFFAOYSA-N 357.429 5.113 0 1 FKAF O=C1NC[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2ccccc2c1 96929915 YHCGXHXZKOJYFY-LPHOPBHVSA-N 356.252 5.144 0 1 FKAF CC(C)CN[C@H](c1ccc(Cl)cc1)c1ccc(-c2cccnc2)cc1 103265723 WUQYXPVWYNKZKO-QFIPXVFZSA-N 350.893 5.737 0 1 FKAF O=C(O)c1ccc2c(c1)nc(Nc1cc(F)ccc1F)c1ccsc12 167768549 PXBWGYGHBWMOLZ-UHFFFAOYSA-N 356.353 5.170 0 1 FKAF CCOC(=O)/C(=C/c1cccc(Cl)c1)CSc1nc2ccccc2o1 169308073 NFQGJRPQLLLTNL-GXDHUFHOSA-N 373.861 5.220 0 1 FKAF CC[C@H]1C(=O)N(C2CCN([C@H]3CCCc4ccccc43)CC2)c2ccccc21 169341823 AJLIYNOOTFOYSN-OFNKIYASSA-N 374.528 5.069 0 1 FKAF Oc1c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)ccc2c1CCCC2 586898114 LZKCKYJELGYFBO-UHFFFAOYSA-N 370.452 5.393 0 1 FKAF Cc1ccc(SCc2nc3ccc(SC(F)(F)F)cc3[nH]2)c(C)c1 586962765 AJARSBVFJSHYRD-UHFFFAOYSA-N 368.449 6.084 0 1 FKAF Cc1ccc(SCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(C)c1 586962845 BGLQIRQGZLDZMP-UHFFFAOYSA-N 370.827 6.144 0 1 FKAF Cc1cncc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c12 586981214 FNUCTBUDCAWCOG-UHFFFAOYSA-N 374.282 5.121 0 1 FKAF C[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C1CCCCC1 586991727 PVVXKLLNEKXSDD-CQSZACIVSA-N 357.453 5.836 0 1 FKAF CCc1ccc2nc(-c3ccc(-c4cccc(OC)c4)cc3Cl)[nH]c2c1 587052302 NCXBCJBFXXBGFS-UHFFFAOYSA-N 362.860 6.121 0 1 FKAF COc1cc(Cl)ccc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587066773 RIDRFKGLTNGDRI-UHFFFAOYSA-N 350.805 5.684 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H](c1ccccc1)CC4)-c1ccccc1C2=O 587101922 XEQLJCNMDPYCCN-QGZVFWFLSA-N 361.444 5.833 0 1 FKAF Cc1cc(Cl)cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116500 ZSMBXODWVFALLH-UHFFFAOYSA-N 362.742 5.154 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2C2CC2)[C@H]1c1ccc(F)cc1 587355110 SPRLVZVZFRHAQC-NWSQWKLXSA-N 366.432 5.229 0 1 FKAF CCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[C@H](C)CC 587400100 NFGTXIYYNVOIOQ-IVZQSRNASA-N 367.489 5.586 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3ccc(Cl)cc31)CC2=O 587461457 KGTZXCOHRIISQC-OAQYLSRUSA-N 372.848 5.031 0 1 FKAF C[C@@]1(c2cc3cc(Cl)ccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587503028 WCJKMJITVBYVAZ-QFIPXVFZSA-N 366.844 5.846 0 1 FKAF O=C1C[C@@](c2cccc(Cl)c2F)(C2CC2)Oc2c1ccc1c2CCCC1 587504711 NCMKPTQEUKVSES-QFIPXVFZSA-N 370.851 5.629 0 1 FKAF C[C@]1(C2CCCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602012 HTZYVBNHFDXQQB-SIKLNZKXSA-N 352.430 5.083 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(=O)O)cc3)c(-c3ccccn3)c2c1 587643471 FVAWEZCOXHWUGH-HNNXBMFYSA-N 370.452 6.109 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Cl)c2)N1 587696154 CVGLMJPDVKETET-BTDLBPIBSA-N 368.677 5.039 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccccc1Cl 587854278 DANSKRZNNWFODA-UHFFFAOYSA-N 367.663 5.898 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(C)c(Cl)cc4[nH]3)c2)c1 587932548 GBJDGVZLICMXAB-UHFFFAOYSA-N 364.832 5.573 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587951766 PSGCQRVAFGSQAZ-NSHDSACASA-N 357.240 6.163 0 1 FKAF CC(C)(C)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956354 YDHQUUFMMTZAND-NRFANRHFSA-N 354.497 6.235 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4[C@H](Cc4ccccc4)C[C@H]3[C@@H]1CCC2=O 653692106 GMWWIECUBWJENW-RCPVBVNISA-N 360.497 5.601 0 1 FKAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@H]1c1ccc(C(C)C)cc1 653785863 CPDAPRPPEYQYRA-DEOSSOPVSA-N 371.484 5.298 0 1 FKAF C[C@]1(c2cc(Cl)sc2Cl)c2c(F)cccc2C[C@H]2CCCN21 963096748 GKGSAHXZBWKUHM-DIFFPNOSSA-N 356.293 5.478 0 1 FKAF O=C(N(CC1CC1)c1c(-c2ccccc2)[nH]c2ccccc12)C(F)(F)F 1857554435 MHRJYZYHQAHZOE-UHFFFAOYSA-N 358.363 5.140 0 1 FKAF O=C(Nc1cc(O)cc(Cc2ccccc2)c1)c1ccc(F)c(Cl)c1 1857652727 JRBKLQIOSASODE-UHFFFAOYSA-N 355.796 5.028 0 1 FKAF CC(C=CC(=O)NCC(=O)O)=C[C@@H](C)C[C@@H](C)CC(C)=CCCC(C)C 2356556619 IDHWXSORJXHAOU-VQTJNVASSA-N 363.542 5.125 0 1 FKAF CCC=CCC=CCC=CCC=CCC[C@H](OC(C)=O)[C@H](C)NC(C)=O 2356685839 HQDNKZPSRKEKML-UGKGYDQZSA-N 361.526 5.028 0 1 FKAF CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3cccc(C)c3)s2)cc1 15936896 GGOBLNCIDYYEIH-UHFFFAOYSA-N 372.517 5.701 0 3 FKAF COc1cccc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)c1 3590528 IAASJAKUJFDAPE-UHFFFAOYSA-N 351.446 5.287 0 1 FKAF CCCO[C@H]1Oc2ccc(Cl)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 3831977 UDYVQHLPMVKSOP-NRFANRHFSA-N 369.892 6.432 0 1 FKAF CCCC/C=C/[C@H](NC(=O)OCc1ccccc1Cl)c1ccccc1 5977932 CKYVNJQXLABTRZ-FWAYRLMKSA-N 357.881 6.054 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](O)(c5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O 13671482 FBCINCBIRWVDGR-XEYKCJAPSA-N 366.545 5.486 0 1 FKAF CCCN(CCC)[C@H]1CCc2cc(CCc3ccc(OC)cc3)ccc2C1 27331120 OUVWNMTXUYBAHT-DEOSSOPVSA-N 365.561 5.460 0 1 FKAF Cc1cc(-c2ccc(O)cc2)cn2c(CSCCc3ccccc3)cnc12 28877388 VUPQRHRURWYDBN-UHFFFAOYSA-N 374.509 5.491 0 1 FKAF CCCC(CCC)C(=O)Oc1ccc(-c2cc(=S)ss2)cc1 29125762 WREBYPQOSZWUKP-UHFFFAOYSA-N 352.546 6.328 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1CC3 33820947 WISDZOWIDKBWMI-GZDJDJCPSA-N 372.549 5.780 0 1 FKAF COc1cccc(-c2ccc3ncnc(NCc4cccc(F)c4)c3c2)c1 36380643 HDDUVXDUKPLWRV-UHFFFAOYSA-N 359.404 5.057 0 1 FKAF CCCCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1Cl 40379403 NLGHIJQHQZDDNU-UHFFFAOYSA-N 366.244 5.203 0 1 FKAF CN(C)c1ccc([C@H]2CC(c3cccc(O)c3)=Nc3ccccc3S2)cc1 40380743 BHIYBBZCRKSVSF-HSZRJFAPSA-N 374.509 5.816 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@]2(C)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]13 45245475 PQZMZRVBJLKEFN-MEWNVRQFSA-N 368.517 5.436 0 1 FKAF CCOc1cccc(-c2nc(CNCc3cccc4ccccc34)co2)c1 72182864 RYAHIYUXKLBNSS-UHFFFAOYSA-N 358.441 5.183 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(O)c3)nc(-c3cccc(O)c3)c2)cc1 299829233 LBUWZGJISBRPLQ-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF Cc1ncc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c(C)c1Br 586979945 YVVNMAUOEJTRCY-UHFFFAOYSA-N 358.283 5.302 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@H](C(F)(F)F)CC4)-c1ccccc1C2=O 586995677 NFFSEDYKAOCRAT-GFCCVEGCSA-N 367.370 5.422 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cccc(Br)c4[nH]3)cs2)o1 587017307 JBCLWCHNQLBXKR-UHFFFAOYSA-N 360.236 5.017 0 1 FKAF COc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1C 587064266 HGRSGYWGCAEOAI-UHFFFAOYSA-N 368.820 5.372 0 1 FKAF Clc1cccc(COc2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)c1 587071432 MKMSVAYUBLDMDG-UHFFFAOYSA-N 369.251 6.116 0 1 FKAF CC(=O)c1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587099388 GZPWXDGFCVAHHG-UHFFFAOYSA-N 363.416 5.624 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 587112408 GZCWUQAUGNWWOB-JTQLQIEISA-N 372.312 5.947 0 1 FKAF CCOc1cc(/C=C\c2nc3cc(C)c(C)cc3[nH]2)ccc1OC(F)F 587129974 ICPGNZXJDRMYIH-VURMDHGXSA-N 358.388 5.350 0 1 FKAF Fc1ccc(-c2ccccc2-c2nc3cccc(C(F)(F)F)c3[nH]2)cc1F 587145645 OYFNLXOLLIPAIO-UHFFFAOYSA-N 374.312 6.194 0 1 FKAF CSc1ccc2c(c1)-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587209988 ZRLAXWLVNZFJFN-UHFFFAOYSA-N 365.457 5.739 0 1 FKAF CC[C@@H]1CC[C@H](C)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587365942 JRFQAIZYXCILSP-JKSUJKDBSA-N 371.480 7.048 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(-c4cccs4)c1)[C@@H](C2)C3=O 587423017 HTEINZKDSZUOHI-YCRPNKLZSA-N 366.413 5.052 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)cc(Cl)c1)CC2=O 587463512 XYTPDPFPPWAQQK-LJQANCHMSA-N 365.256 5.532 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(CC13CC4CC(CC(C4)C1)C3)CC2=O 587487684 GOTXKXWDIPJPTL-RGHJJJJLSA-N 368.517 5.675 0 1 FKAF O=C1C[C@@H](c2ccn(CC3CCCCC3)n2)Oc2c1ccc1c2CCCC1 587514082 FJZRBPJRPQZWGQ-QFIPXVFZSA-N 364.489 5.049 0 1 FKAF COc1cc2c(cc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 587528094 ZMHIGRIQKHZJNT-HSZRJFAPSA-N 362.469 5.159 0 1 FKAF CC(C)C1CCC([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587602246 HDCRJNFZJSODMB-KFRGIWLWSA-N 366.457 5.185 0 1 FKAF Cc1c(CCc2ccc(Br)cc2)[nH]c2c(C)cc(Cl)cc12 587623809 QDFIFSRTVAYMPI-UHFFFAOYSA-N 362.698 5.986 0 1 FKAF Oc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccc(F)cc2)c(O)c1 587630181 HBURYKZJGATJGX-UHFFFAOYSA-N 371.770 5.845 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 587780376 RBTJBWKDLGSIJA-UHFFFAOYSA-N 368.358 5.713 0 1 FKAF Cc1ccc(C)c(C[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587820723 QJAWODCLMBKUFX-CXAGYDPISA-N 362.286 5.023 0 1 FKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(Br)c(C)c2[nH]1 587931687 SJKMUAJVFBGYOC-BFUOFWGJSA-N 371.278 5.088 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(F)cc(Br)c2[nH]1 587953001 YWIVOTDLNQRDCH-GMXABZIVSA-N 369.278 5.511 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C[C@@H](C)CCCC(C)(C)OC)N1 962945789 GUVRXOTVVMQHKI-FVJLSDCUSA-N 356.554 5.755 0 1 FKAF Fc1ccc([C@]2(CC(F)(F)F)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963093439 BQFXIVHPWIBKEE-IEBWSBKVSA-N 367.361 5.181 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(F)cc3)nc3c2Cc2cc(O)ccc2-3)cc1 1857562106 QPCDMEDTNDNASY-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CCN(c1ccc(NC(=O)c2c(C)noc2-c2ccccc2)cc1)C(C)C 1857603765 ATWJGINVXYPHAD-UHFFFAOYSA-N 363.461 5.137 0 1 FKAF O=C(Nc1ccccc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 1857748517 XJSNRHGHHLJUBV-UHFFFAOYSA-N 356.756 5.221 0 1 FKAF CC(C)CCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(F)cc1Cl 776319 GKUTZUHSGQLZOP-UHFFFAOYSA-N 366.864 5.208 0 1 FKAF O=C(Nc1cccnc1Cl)c1ccc2c(Cl)c3c(nc2c1)CCCC3 4958594 OHUWJCDUTQUVAD-UHFFFAOYSA-N 372.255 5.068 0 1 FKAF O[C@@H](C1CCCCCCCCCC1)[C@@H](O)C1CCCCCCCCCC1 5566838 XELVUFDGJNSXOP-ZEQRLZLVSA-N 366.630 6.770 0 1 FKAF C[C@H]1CN(CCCc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(O)c1 13833020 BBSCFEZZINPKFM-HTAPYJJXSA-N 357.925 5.278 0 1 FKAF c1ccc(CCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1 14947258 RFUBUBHGBMLBQV-UHFFFAOYSA-N 358.529 6.329 0 1 FKAF O=C(O)[C@H](CCC/C=C(\c1cccnc1)c1cccs1)c1ccccc1 26742707 LFYNEAKPAKCFIB-PYIVIEQSSA-N 363.482 5.614 0 1 FKAF CCn1c2ccccc2c2cc(/C=C\c3ccc(OC)nc3OC)ccc21 28702610 HMMZFPOCBBYYMS-LUAWRHEFSA-N 358.441 5.397 0 1 FKAF Clc1cccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c1Cl 28898105 OTOGPYFULGVCRR-UHFFFAOYSA-N 373.070 5.607 0 1 FKAF COc1ccc2cc[nH]c2c1-c1cc(C)c2c(c1Cl)[C@@H](C)CC(C)(C)N2 29043316 IFFNOGXSDVOOPK-ZDUSSCGKSA-N 368.908 6.503 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC[C@@H]1n1ccnc1 40434386 MRFBVQCSZMKBFY-POLFCQBBSA-N 366.505 5.650 0 1 FKAF in-vivo CCCCCCOc1ccc(C(=O)CCN(C)C)cc1-c1ccccc1 43076624 ZFLBQQYARJYUTI-UHFFFAOYSA-N 353.506 5.447 0 1 FKAF CCCCCCc1cc(CCC)c(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1 72107006 BPSQYHYLBFNGDK-JCMHNJIXSA-N 365.521 5.792 0 1 FKAF O=C(O)CC1=C/C(=C\c2cccc(-c3cccs3)n2)c2ccc(F)cc21 84712591 PPCINBSOGVOVGL-JLHYYAGUSA-N 363.413 5.362 0 1 FKAF CCCCCCN(CCCCCC)c1ccc(/C=C(\C#N)C(=O)O)cc1 143642562 NHKITMWAKQWENA-LVZFUZTISA-N 356.510 5.645 0 1 FKAF CCCCC[C@H](C)SC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169344716 JPUVEYMMQIVSGF-QLICMRISSA-N 368.583 5.683 0 1 FKAF C/C(=C/Cc1c[nH]c2ccccc12)CC/C=C(\C)CC[C@H](O)C(C)(C)O 238786613 UETBQCBTOMNFHW-CSFKNPMKSA-N 355.522 5.295 0 1 FKAF O=C(O)c1ccccc1/C=C\c1nc2ccc(OCc3ccccc3)cc2[nH]1 586880468 QQGRGSKDYMCNKD-RAXLEYEMSA-N 370.408 5.011 0 1 FKAF Cc1cccc(Cc2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)c1F 586995158 JFVFJQSZTVFXJK-UHFFFAOYSA-N 367.423 5.793 0 1 FKAF Cc1c(Br)cc2nc(CNc3ccccc3Cl)[nH]c2c1C 587060236 HEOYDHYQUCFVDC-UHFFFAOYSA-N 364.674 5.208 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)c(C)c1)(C1CC1)CC2=O 587465463 DXENFDVWHRZSHS-QFIPXVFZSA-N 354.421 5.063 0 1 FKAF CCCCC[C@]1(c2ccc(O)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587484235 SBUBHQQYARYFFS-HSZRJFAPSA-N 368.473 5.491 0 1 FKAF C[C@@]1(CCSc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587532547 NZEXVZOJUDRPAQ-JOCHJYFZSA-N 352.499 5.472 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c([C@@H]3COCCN3C(=O)OC(C)(C)C)c2c1 587642061 JCKGGUVNHATNEP-KUHUBIRLSA-N 372.509 5.298 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 587781514 VYFHIBGEMXRIQI-JXMROGBWSA-N 368.436 5.024 0 1 FKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(Cl)cc(F)c2[nH]1 587782851 QYZIHGHOBFULEE-UHFFFAOYSA-N 368.795 5.307 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(Cl)cc(C)c4[nH]3)c2)c1 587933673 VFJBOUVWEBARHZ-UHFFFAOYSA-N 364.832 5.573 0 1 FKAF C[C@@H](CC(=O)O)c1ccc(OCc2ccccc2SC(F)(F)F)cc1 1772636894 IVSUIVNGPDHWEH-LBPRGKRZSA-N 370.392 5.456 0 1 FKAF CCCCCCN1C(=O)C(O)=C(c2ccc(C(F)(F)F)cc2)[C@@H]1CC 1857651119 URPFBWOLCJIUJR-HNNXBMFYSA-N 355.400 5.176 0 1 FKAF CC(C)C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356636526 LLZNEPOHLDVAHJ-TUWWKGRPSA-N 370.621 7.063 0 1 FKAF O=C(OCCN1CCCC12CCC(c1ccccc1)CC2)c1ccccc1 96019303 OJAHPWBUWVYHLV-UHFFFAOYSA-N 363.501 5.036 0 3 FKAF Fc1ccc([C@@H](Oc2ccc(Cl)c(Cl)c2)[C@@H]2CCCNC2)cc1 13530763 XWBPISXEMVNFRZ-FZKQIMNGSA-N 354.252 5.252 0 1 FKAF CCCCCc1cc(O)c2c(c1C(=O)OC)OC(C)(C)[C@H]1CCC(C)=C[C@H]21 14722879 LKLZAPSGDVLPGH-IRXDYDNUSA-N 372.505 5.522 0 1 FKAF biogenic FC(F)(F)c1cccc([C@@H]2CN3CCC[C@H]3c3cccc(Cl)c32)c1 29239464 FENBPRVYMAENSG-RDJZCZTQSA-N 351.799 5.641 0 1 FKAF CCCCCCC(/C=C/C(=O)N1CCCCC1)=C\c1ccc(OC)cc1 40393440 JBLOYJCXQAMVSZ-ZMUVCXEASA-N 355.522 5.618 0 1 FKAF CCN(CC)Cc1cc(O)cc(Nc2ccnc3cc(Cl)ccc23)c1 40848066 FXHPNHOUPZWMCP-UHFFFAOYSA-N 355.869 5.179 0 1 FKAF Cc1ccccc1-c1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2)cc1 40866394 ZJYRMGDBBTZAHQ-UHFFFAOYSA-N 366.464 5.342 0 1 FKAF COc1ccc2c(c1)c(-c1ccc(-c3ccccc3)cc1)nc(=O)n2C(C)C 45371968 IFJUQVXVAURBCF-UHFFFAOYSA-N 370.452 5.320 0 1 FKAF COc1ccc(F)c([C@H](Nc2ccc(F)cc2F)[C@H]2CCCCC2=O)c1 66258950 ZEAXPHLFWYGMJF-VBKZILBWSA-N 363.379 5.025 0 1 FKAF CCN(CC)CCC[C@H](C)Nc1cc(-c2ccc(C(C)C)cc2)ncn1 82161775 CUUJXJFBCGJYAQ-SFHVURJKSA-N 354.542 5.189 0 1 FKAF Cn1c2ccccc2c2cc([C@H]3CC(c4ccc(Cl)cc4)=NN3)ccc21 84689990 CERYVXDHVNZKJC-HXUWFJFHSA-N 359.860 5.424 0 1 FKAF O=C(OCc1ccc(Cl)cc1)N1c2ccccc2Oc2ccccc21 95580279 CBWFJPNFHCSVKP-UHFFFAOYSA-N 351.789 5.921 0 1 FKAF CCOC[C@]1(C)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 95918661 ZTRZDZWICICOGN-XJPDHVFFSA-N 362.554 5.527 0 1 FKAF biogenic,in-vitro CC[C@@]12CCN(CC3CC3)[C@H](C(=O)c3ccc(Nc4ccccc4)cc31)[C@@H]2C 100935473 YCJIZJTVBUVHIS-XPEQFSOGSA-N 374.528 5.395 0 1 FKAF Cn1s/c(=N/c2ccc(Cl)cc2)nc1-c1cc(Cl)cc(Cl)c1 103179751 MNHFKCASZCEPLB-XDJHFCHBSA-N 370.692 5.341 0 1 FKAF Cc1cc2c(C)noc2cc1-c1ccc(C(=O)Nc2ccccc2F)s1 142579605 GEWKCEAVMAIXAJ-UHFFFAOYSA-N 366.417 5.565 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCSC1 144738848 YIIBQCYDEMJLIF-JKSUJKDBSA-N 374.590 6.774 0 1 FKAF C[C@@H]1CCC2=C(C1)c1c(O)cc([C@H](C)CCCN(C)C)cc1OC2(C)C 169343257 UXALZDQQEPFNDH-HZPDHXFCSA-N 357.538 5.582 0 1 FKAF CCCCSc1nc([C@H](CC)c2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352233 NQNSUKONKIZVTL-GFCCVEGCSA-N 368.905 5.305 0 1 FKAF O=C(/C=C\CCCCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 214846407 CHOLQJRIMZGPNC-UQXQTEIVSA-N 369.505 5.338 0 1 FKAF O=C(O)C[C@H](c1cccc(-c2cccc(F)c2Cl)c1)c1nccs1 221096787 GDCXDWRLAKDAPD-CQSZACIVSA-N 361.825 5.209 0 1 FKAF Nc1oc2c(-c3ccccc3)nccc2c1Nc1ccc(F)c(Cl)c1 222993789 IMLCAFRPRFAYPQ-UHFFFAOYSA-N 353.784 5.613 0 1 FKAF CC(C)C[C@@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1CC[C@H]1C[C@H]2CC[C@H]1C2 253791480 SGIBUXSDRUUCRC-YRFMLNNJSA-N 371.613 5.164 0 1 FKAF O=C(CC1CCCCC1)Nc1ncc(Cc2ccc3ccccc3c2)s1 299859188 FJQFRWCHJPCKOA-UHFFFAOYSA-N 364.514 5.796 0 1 FKAF Cc1c(-c2c(F)cccc2F)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586995475 LCZVQWLWXAMRQA-UHFFFAOYSA-N 371.386 6.008 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccnc(Cl)c2[nH]1 587013838 CMRKKFDSFNWGLC-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)c(F)ccc4[nH]3)c21 587031619 UDGJUHQONBMORA-NSHDSACASA-N 369.440 5.800 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C)c(C)cc2[nH]1 587044513 GXNJTSDPLMVGOL-UHFFFAOYSA-N 351.233 5.171 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(N)ccnc2[nH]1 587072535 RTTXVAQSTDJHTG-PGAZBKHESA-N 373.287 5.213 0 1 FKAF Cc1cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1Cl 587073129 CJCLLJIVUYTOQK-GOSISDBHSA-N 360.288 5.515 0 1 FKAF COc1cc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2cc1F 587074211 SQXNWXZMEHLBEW-UHFFFAOYSA-N 366.823 6.006 0 1 FKAF CCOc1cccc(O)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107117 PJWUGWJEEIIBNJ-UHFFFAOYSA-N 367.404 5.218 0 1 FKAF CC(C)Oc1ccc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587113575 NKBYHFXURFOQRZ-ZDUSSCGKSA-N 362.395 5.715 0 1 FKAF C[C@@H](Oc1ccc(F)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587169580 ZRLCUUPIYXMGIS-OAHLLOKOSA-N 362.404 5.421 0 1 FKAF Cc1ccc2c(ccc3nc([C@H](C)CSc4ccc(F)cc4)[nH]c32)n1 587172166 YEFNRSXMZVWAFR-GFCCVEGCSA-N 351.450 5.454 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(CC[C@H]1C(C)=CCCC1(C)C)[C@@H](C2)C3=O 587446253 VNRXAKVXGLHITG-BSRJHKFKSA-N 354.490 5.364 0 1 FKAF O=C1C[C@@H](c2cc3ccc(Cl)cc3[nH]2)Oc2c1ccc1c2CCCC1 587499173 LKWXOIILXBVGPC-FQEVSTJZSA-N 351.833 5.407 0 1 FKAF CC(C)c1ccc(C[C@@H](C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526779 SBYKUFLULOXSOQ-OSPHWJPCSA-N 362.513 5.901 0 1 FKAF CC(C)[C@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587532377 PWOBGNCPKTZSLZ-FQEVSTJZSA-N 360.906 5.797 0 1 FKAF CC(=O)c1c(-c2ccccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628297 RQYJUNCFCNYVEO-UHFFFAOYSA-N 372.268 5.470 0 1 FKAF Fc1ccc(-c2[nH]c3cccc(F)c3c2-c2ccc(Cl)cc2Cl)cc1 587634533 IYERJJRAZHFYLR-UHFFFAOYSA-N 374.217 7.087 0 1 FKAF CCCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc([C@@H](C)CC)cc12 587641204 LDESQIIQQDBUFK-ZDUSSCGKSA-N 360.328 7.608 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)c3ccc(C(F)(F)F)cc3)c2c1 587643759 WJVVDPJMZNMMJS-LBPRGKRZSA-N 359.391 6.240 0 1 FKAF COc1cccc(C2(c3nc4cccc(Br)c4[nH]3)CCCC2)c1 587932397 XHDWFYUUIUAQFX-UHFFFAOYSA-N 371.278 5.194 0 1 FKAF CC(=O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587949641 JPCPBRPQPJZAPB-OWBHPGMISA-N 354.409 5.728 0 1 FKAF C[C@H](C(F)(F)F)[C@]1(c2ccccc2)c2c(F)cccc2C[C@H]2CCCN21 963097821 HSPDZDZMSIICOY-NQYLQCIDSA-N 363.398 5.288 0 1 FKAF CC(C)=CCC[C@@](C)(O)[C@@H]1CC=C(C)CCC=C(CO)CCC=C(C)CC1 2356646968 VUURSWUKVPJIET-LOSJGSFVSA-N 374.609 6.656 0 1 FKAF CCOC(=O)/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C2(CCC1(C)C)CC2 28231011 MXRBWFXNNUQGPW-LZKJAZMPSA-N 354.534 6.471 0 1 FKAF C[C@H]1CN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)C[C@@H](C)N1C 36093084 JQBCJANIMSRFBC-BGXPRYDISA-N 372.915 5.080 0 1 FKAF Fc1ccc(C[C@@H](Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 40951582 WSNFIUQCYHDWFF-XMMPIXPASA-N 356.444 5.716 0 1 FKAF O=C(c1cccc(O)c1)c1ccc(-c2ccc(O)c(C(F)(F)F)c2)s1 64446915 KEJQMTAEAKWJLB-UHFFFAOYSA-N 364.344 5.076 0 1 FKAF C[C@@H](CCc1ccccc1)Nc1cc(Oc2cccc(Cl)c2)ncn1 82067674 SBGBAAHXNKJHEF-HNNXBMFYSA-N 353.853 5.356 0 1 FKAF CC(C)=C[C@H]1C[C@](C)(/C=C/c2cccc3cc[nH]c23)c2cc3[nH]ccc3cc21 139421532 PUOYSRIYVHOQQB-CSEYZPLKSA-N 366.508 7.074 0 1 FKAF FC(F)(F)Sc1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 586903745 MHBUGFARGPBMPS-UHFFFAOYSA-N 362.376 5.706 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)n1 587021208 JLLZHWPDSLSRRV-UHFFFAOYSA-N 355.463 5.426 0 1 FKAF Cc1cccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587049840 MCYPFFRCACVQAY-UHFFFAOYSA-N 368.867 7.012 0 1 FKAF Cc1cnc(Cl)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc12 587063411 UWXNQFTXKAOTMX-UHFFFAOYSA-N 368.267 5.831 0 1 FKAF C[C@H](Oc1ccccc1O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105889 GPRISJOLDOKATE-AWEZNQCLSA-N 367.404 5.292 0 1 FKAF Cc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1F 587122918 AEUKESSXNODEKM-QPJJXVBHSA-N 352.356 5.793 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587161139 KMXOPVVBKPKYOQ-MNOVXSKESA-N 370.733 5.525 0 1 FKAF CC(C)(C)[C@@H]1CCc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O 587208017 PRFQSQMROGSRLD-HNNXBMFYSA-N 355.481 5.987 0 1 FKAF Cc1ccc(F)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587509908 YGBZOOFRMFGZGD-OAQYLSRUSA-N 358.840 5.547 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2F)N1 587717806 LSDRXVWMUVFOGH-VPTHRUTESA-N 372.640 5.004 0 1 FKAF CC(C)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809904 BMZASERWFLFFSM-DJJJIMSYSA-N 362.286 5.022 0 1 FKAF CC(C)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813316 UQWRAXKJBRHRHU-KPZWWZAWSA-N 356.323 5.410 0 1 FKAF Cc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587814105 FXFLUZGQLFFRRL-CWTRNNRKSA-N 362.286 5.003 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H]1CCCC[C@@H]1C2(C)C 587830651 VUYUSORISDJSEI-IDTLQRJASA-N 366.318 5.164 0 1 FKAF Clc1cc(Cl)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 587949542 WIYFIAWNIRLUPC-UHFFFAOYSA-N 369.251 6.253 0 1 FKAF FC(F)(F)c1cc(Br)cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12 587967561 PVGUZZIUCRTNDR-QXFUBDJGSA-N 357.173 5.024 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(Cl)c3)n2)c1 653731233 PMIVWUVNVNHDEG-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF COc1ccc2c(c1)[C@@H](c1c[nH]c3cc(C(C)C)ccc13)N(C(C)C)CC2 962095387 YMHXVNXVSNDOPJ-DEOSSOPVSA-N 362.517 5.656 0 1 FKAF CN1CC[C@]2(C[C@H]1c1ccccc1)NCCc1cccc(-c3ccccc3)c12 962668785 XYTBJLSXMLSWHY-AZGAKELHSA-N 368.524 5.162 0 1 FKAF Clc1ccnc2c1CCC[C@@]21c2ccsc2CCN1Cc1ccco1 962709475 NSCCSJPPJIZINX-HXUWFJFHSA-N 370.905 5.028 0 1 FKAF Cc1cc(Br)ccc1[C@H]1c2c(F)cccc2C[C@H]2CCCN12 963099566 ICANDZYHSOYDBP-BEFAXECRSA-N 360.270 5.007 0 1 FKAF CCCN1[C@H](c2cnc(S[C@@H](C)CC)nc2)c2ccccc2C[C@H]1C 963231935 BPKASJGJUPOROZ-GQIGUUNPSA-N 355.551 5.113 0 1 FKAF COc1ccccc1Cn1cc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1 1772585930 HLFRUCPRGTWUSG-UHFFFAOYSA-N 371.436 5.290 0 1 FKAF CC[C@H](C)n1cc(-c2nc3ccccc3nc2Cl)c2cc(OC)ccc21 1857547936 GNOGKKCNXRDYFI-ZDUSSCGKSA-N 365.864 5.885 0 1 FKAF Cn1c(-c2cccc(C(F)(F)F)c2)cc2c(Nc3cccnc3)nccc21 1857600627 XIFPSTYZZYYMES-UHFFFAOYSA-N 368.362 5.398 0 1 FKAF COc1ccc(-c2cc3cc(C)ccc3c(-c3cccc(N)c3)n2)cc1OC 1857656405 RMOWFBOZPGVTGB-UHFFFAOYSA-N 370.452 5.477 0 1 FKAF Clc1ccccc1-c1ccc2ncnc(NCc3cccs3)c2c1 36380607 CQHBFQHJMCXJMS-UHFFFAOYSA-N 351.862 5.624 0 3 FKAF COC(=O)C(C)(C)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]32)C1 13408857 XZYHUDBBIOJHPZ-CFYKOPIISA-N 374.565 5.126 0 1 FKAF biogenic Cc1ccccc1-c1ccc2c(C)cc(Nc3ccc(C(=N)N)cc3)nc2c1 13535187 BOCKSIHTPVVLBQ-UHFFFAOYSA-N 366.468 5.546 0 1 FKAF CSCCC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947028 NXBZLFOYWHWZLN-UBBRYJJRSA-N 358.547 5.131 0 1 FKAF Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)ccc(F)c2F)cc1C 28388349 WUWGEVCEMUJCEV-UHFFFAOYSA-N 372.436 5.319 0 1 FKAF CCOc1ccc(-n2c(C)c3c(C)nnc(CC4CCCC4)c3c2C)cc1 28757594 JCSMLHNYPGZPFO-UHFFFAOYSA-N 363.505 5.477 0 1 FKAF CSc1ccc(C2=C(c3ccc(F)c(C)c3)C(=O)N3CCC[C@H]3C2)cc1 29407973 JBOVJRMMNJBDNQ-KRWDZBQOSA-N 367.489 5.162 0 1 FKAF CCOC(=O)c1c(NC(=O)c2ccccc2)sc(-c2ccccc2)c1C 45291685 ANXBEIIYCXTDOG-UHFFFAOYSA-N 365.454 5.153 0 1 FKAF CC(C)N(CCC(=O)c1ccc(Cc2ccccc2)cc1)Cc1ccccc1 45356541 MHPMBSWHHKYNHC-UHFFFAOYSA-N 371.524 5.761 0 1 FKAF COc1cccc(C2=NN(c3ccccc3)[C@@H](c3ccc(SC)cc3)C2)c1 49785585 RMEGAZPEHLXHAN-HSZRJFAPSA-N 374.509 5.773 0 1 FKAF CC[C@H](C)c1ccc(-n2c(=S)oc3cc(Cl)ccc3c2=S)cc1 64559532 HTTRHGFVKVLQOT-NSHDSACASA-N 361.919 6.849 0 1 FKAF Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C 66112207 QQDKYSNDWYIWJF-UHFFFAOYSA-N 357.816 5.209 0 1 FKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Sc4ccccc4)cc3)c12 95581499 FWGAUDYBFHIQQP-UHFFFAOYSA-N 372.497 5.397 0 1 FKAF CSc1ccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1 103868346 SXMUTPZGUVHSMQ-NRFANRHFSA-N 364.514 6.280 0 1 FKAF Cc1ccncc1C1=CC[C@H]2[C@@H]3CC[C@H]4CCCCC[C@]4(C)[C@H]3CC[C@]12C 169231289 AJWXENPYDXMZGQ-ZQEQPMSLSA-N 363.589 7.206 0 1 FKAF CCN(CC)CCOc1ccc2c(c1)CCc1c-2ccc2c1CCC2(C)C 169330776 OXMZVUCEOAMMED-UHFFFAOYSA-N 363.545 5.397 0 1 FKAF Cc1c(Br)cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1C 586883693 CZBLGDGXCSAUHX-YWZLYKJASA-N 367.290 5.314 0 1 FKAF Brc1ccc(-c2ccc(/C=C/c3nc4cccnc4[nH]3)o2)cc1 586998399 KUXYMRISDSOMRV-CSKARUKUSA-N 366.218 5.151 0 1 FKAF FC(F)(F)c1cc(CCc2nc3ccccc3[nH]2)cc(C(F)(F)F)c1 587111088 OFBHUTUPOLFUIS-UHFFFAOYSA-N 358.285 5.386 0 1 FKAF FC(F)(F)c1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587111429 CQUJRIHMZPDBJD-UHFFFAOYSA-N 364.676 5.921 0 1 FKAF Cc1c(Br)cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1C 587111631 NJRODKLPMZAXJC-UHFFFAOYSA-N 369.184 5.628 0 1 FKAF Cc1ccc(/C=C/c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1F 587146324 ILRMNLCIEMRXFI-RUDMXATFSA-N 358.420 5.012 0 1 FKAF CC(=O)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151421 YFWCLMDOBAUHRS-NRFANRHFSA-N 359.404 5.106 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](C1CCCCC1)C3 587207170 JGMDRHPVDAXJKJ-QGZVFWFLSA-N 367.492 6.131 0 1 FKAF C[C@H]1C[C@@H](C)C[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348102 CHJGYDDNIQYSGD-DWXWKNJNSA-N 354.421 5.085 0 1 FKAF CCCCC[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352051 IDOXPMIJGCVLSY-RBBKRZOGSA-N 356.437 5.619 0 1 FKAF COc1cccc(-c2c([C@H](C)C(=O)O)c(C)nc3c2oc2ccccc23)c1 587367711 SVXWPVFFWXGVOX-LBPRGKRZSA-N 361.397 5.153 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccs3)cc1F)O2 587386177 TUJBKUJGBQMXIU-SFHVURJKSA-N 353.418 5.151 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1OCc1ccccc1)O2 587401839 YZNCQILAEIZALQ-DEOSSOPVSA-N 373.452 5.037 0 1 FKAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(C1CCCC1)[C@@H](C2)C3=O 587422495 QHDDOKRFQKKTEF-PGRDOPGGSA-N 368.860 5.182 0 1 FKAF C[C@@]1(CCc2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587532690 RZIAVVKVHCOENK-HXUWFJFHSA-N 360.906 5.637 0 1 FKAF O=C1C[C@@H](c2ccc([C@H]3CCCCO3)s2)Oc2c1ccc1c2CCCC1 587532772 SOOFNEVHYOMOTR-MOPGFXCFSA-N 368.498 5.575 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c2)cc1O 587785596 CQVGRIMBJVCMMV-UHFFFAOYSA-N 373.456 5.304 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)cc1O 587787572 VPQWJAHOUTWTNV-UHFFFAOYSA-N 366.420 5.764 0 1 FKAF Clc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2nc1Cl 587959732 TYOHPRWGJXJBGJ-UHFFFAOYSA-N 354.240 5.523 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3c(F)cnc(Cl)c3[nH]2)cc1 587960260 XDTZWLPOYNKLSE-UHFFFAOYSA-N 351.812 5.317 0 1 FKAF CC/C(=C/c1nc2ccc(F)c(Br)c2[nH]1)c1ccc(C)cc1 587966436 HMBFILVXZYVDLI-BENRWUELSA-N 359.242 5.724 0 1 FKAF C(=C1C2CC3CC(C2)CC1C3)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587967961 QFNHXNDLZFFFGN-UHFFFAOYSA-N 372.537 6.554 0 1 FKAF COc1ccc2nc(Cl)c(/C=C\c3ccccc3C(F)(F)F)cc2c1 653793188 JIIFTTXSXXTNEB-SREVYHEPSA-N 363.766 6.086 0 1 FKAF Clc1cc2cc([C@H]3NCCc4cccc(-c5ccccc5)c43)ccc2cn1 962671317 XDILQAOMIOROBC-XMMPIXPASA-N 370.883 5.790 0 1 FKAF COc1ccc(-c2ncccc2-c2nc3ccc(Cl)cc3s2)cc1 1857614575 MVYIDHGGYUZXMB-UHFFFAOYSA-N 352.846 5.687 0 1 FKAF O=C(Nc1cc2cc(-c3c(Cl)cccc3Cl)ccc2cn1)C1CC1 1857628425 CVRVCFVDHZISJV-UHFFFAOYSA-N 357.240 5.557 0 1 FKAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1nnc(N2CCC2)o1 1857751023 CZKRIKPLTZIZNV-UHFFFAOYSA-N 374.469 5.046 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]3CCC4=C(C(=O)OC4)[C@]3(C)CC[C@@H]12 2356796350 NDOOUOLTMVDOLY-OHAIRJCISA-N 370.577 6.299 0 1 FKAF COc1ccc2oc([C@@H](c3ccccc3)c3c[nH]c4ccccc34)cc2c1 2382257115 IFQXKRYTXKTPRJ-DEOSSOPVSA-N 353.421 6.103 0 1 FKAF CC(=O)c1ccccc1N[C@@H](C(=O)Nc1c(C)cccc1C)C1CCCC1 206050954 AHAZRFVCDZFPLH-JOCHJYFZSA-N 364.489 5.115 0 3 FKAF Clc1ccc2nc(-c3c[nH]c4ccc(Br)cc34)ccc2c1 5933568 BYVTWFYOIBNHIY-UHFFFAOYSA-N 357.638 5.799 0 1 FKAF CCCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1C1CCCC1 13587034 RQUVSPCEPVJDAK-UHFFFAOYSA-N 362.473 5.561 0 1 FKAF CC(C)=CCC/C(C)=C/CC[C@@H](C)N1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1 13756357 CKIQSCJROIUFAT-DYEVMPJVSA-N 373.625 6.277 0 1 FKAF C=C[C@]1(C)CC[C@@H]2C(=CC[C@@H]3[C@@](C)(COC(=O)CC(=O)O)CCC[C@@]23C)C1 14656612 MDEBRCINDGZVPW-QPJZEMMPSA-N 374.521 5.140 0 1 FKAF biogenic C[C@H]1C[C@@H](C)CN(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)C1 14970847 RGSUWKJYBMJESY-GASCZTMLSA-N 366.896 5.274 0 1 FKAF CCCC(=O)Nc1n[nH]c2cc(-c3ccccc3)c(-c3ccccc3)cc12 49070953 KTRUXAWEUPWZNW-UHFFFAOYSA-N 355.441 5.636 0 1 FKAF Clc1ccc(CO[C@@H](CCn2ccnc2)c2cccs2)c(Cl)c1 71296250 HZRPTCLJUBCSOM-INIZCTEOSA-N 367.301 5.600 0 1 FKAF CCCCOc1ccccc1-c1cc(C(F)(F)F)ccc1OCC(=O)O 71410658 WLRJBFZXJGVALQ-UHFFFAOYSA-N 368.351 5.015 0 1 FKAF CCOc1ccc(-c2cc(NC3CCC(C(C)(C)C)CC3)ncn2)cc1 82162284 RCBWOANFSQGADQ-UHFFFAOYSA-N 353.510 5.559 0 1 FKAF Cc1ccc(-c2cn([C@H](C)c3ccc4sc5ccccc5c4c3)nn2)cc1 84653358 JLIQVNNZAHRPRA-MRXNPFEDSA-N 369.493 6.231 0 1 FKAF Oc1ccc(-c2cc(-c3ccncc3)nc(-c3ccccc3Cl)c2)cc1 95552994 JWXQPBFHMAMUNE-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF CCOc1cc(-c2c(C)noc2C)cc([C@@H](O)c2cccc(Cl)c2)c1 95588568 MQGBOKFUDGFFAB-FQEVSTJZSA-N 357.837 5.092 0 1 FKAF CN(C(=N)Nc1cccc2ccccc12)c1cc(Br)ccc1F 299820882 IWWYZHXSUZFEFY-UHFFFAOYSA-N 372.241 5.224 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1 586880441 GHKAVPWGSJEERJ-UHFFFAOYSA-N 356.469 6.710 0 1 FKAF CCc1oc2ccccc2c1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 586902581 BYDYMYHVOLDRKA-UHFFFAOYSA-N 362.376 6.150 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H](C(F)(F)F)CCC4)-c1ccccc1C2=O 586996059 PEANOJYZMLBQJR-MRXNPFEDSA-N 367.370 5.737 0 1 FKAF c1csc(SCc2c(-c3nc4cccnc4[nH]3)oc3ccccc23)c1 587010935 JWJIMMJHNBGINV-UHFFFAOYSA-N 363.467 5.725 0 1 FKAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(C(C)(C)C)cc2[nH]1 587026427 FEHZPNDSEOAXSD-UHFFFAOYSA-N 351.475 5.476 0 1 FKAF Brc1cncc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587026857 ZCMWIIRQWFPPNO-UHFFFAOYSA-N 356.248 5.116 0 1 FKAF Cc1c(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cnn1-c1ccc(Cl)cc1 587076514 VPGZMDLWQFIBLI-UHFFFAOYSA-N 365.868 5.070 0 1 FKAF CC(C)(C)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2n1 587195123 BXVPTYGSSWNDKK-UHFFFAOYSA-N 370.500 5.462 0 1 FKAF CC(C)[C@H](c1nc2cccc(C(C)(C)C)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197237 BKKPNTWYSYIZQY-QGZVFWFLSA-N 359.514 5.424 0 1 FKAF FC(F)(F)c1ccc([C@@H]2CCCc3c2nc2cccc4c2c3CC4)cc1 587210313 NYHXZYAQZQNTPC-INIZCTEOSA-N 353.387 5.820 0 1 FKAF Cc1cc(Br)cc2nc(-c3cc(N)cc4ccccc34)[nH]c12 587251480 FVFZFJWHLSXBBB-UHFFFAOYSA-N 352.235 5.036 0 1 FKAF Nc1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c2ccccc2c1 587252273 UZKFYTCNOAHSOS-UHFFFAOYSA-N 374.188 5.006 0 1 FKAF CCN(c1ccccc1)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587386833 LMJDGSUKTJCDKB-QHCPKHFHSA-N 372.468 5.442 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC=C(C)C)cc1)CC2=O 587476375 CEFHJQAZIOKOTF-JOCHJYFZSA-N 366.457 5.396 0 1 FKAF Cc1cc(F)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587501173 ANQJXNZKHUHJEA-NRFANRHFSA-N 358.840 5.547 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3ccc(Br)c(F)c3)c2c1 587640031 BFNZDENQDCRIAZ-LLVKDONJSA-N 360.270 6.558 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3Cl)c2c1 587640675 ICSZPCRAZMWPNS-MRXNPFEDSA-N 359.900 7.669 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)F)cc2)N1 587715734 IDXKUFXMRRDRGG-XXFAHNHDSA-N 370.212 5.149 0 1 FKAF CC(C)C[C@H](C)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812781 KIGUKKPJJVSVCK-LXIYXOSZSA-N 356.323 5.410 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(C)CCCCC2)N1 587815660 OMCIUSLFKNCIEW-KZULUSFZSA-N 354.307 5.308 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCC2CCCCC2)N1 587821390 UQYCSFCIHAXACJ-KPZWWZAWSA-N 354.307 5.524 0 1 FKAF Fc1cc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2cc1Cl 587949934 OAJXEKLBOVDCHO-ZHACJKMWSA-N 364.807 6.318 0 1 FKAF FC(F)(F)c1cc(Br)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1 587966175 BHUMIJBGIQWJBW-QXFUBDJGSA-N 357.173 5.024 0 1 FKAF C/C(=C\c1nc2c(Cl)c(Br)cnc2[nH]1)C1CCCCC1 587969530 YYFXVYJFZHLLRE-VQHVLOKHSA-N 354.679 5.357 0 1 FKAF CC(/C=C/C=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccccc1)=C\CN 1857560082 CLBROEOXGNQQAV-FYHRZTQGSA-N 369.430 6.263 0 1 FKAF CC(=CCC[C@]1(C)CCc2cc(O)cc(C)c2O1)CCC=C(C)C(=O)O 2356476001 YBTAYKPEYLOHDQ-JOCHJYFZSA-N 358.478 5.322 0 1 FKAF COc1cc([C@@H](O)c2nc(-c3cccc(C(C)C)c3)cs2)ccc1F 61907191 XTUBTSQGWSKAGK-LJQANCHMSA-N 357.450 5.163 0 3 FKAF COc1ccc(-c2nc3ccc(C)cn3c2Cc2ccc(C)cc2)cc1OC 72138283 MICYZMLXJJQBGN-UHFFFAOYSA-N 372.468 5.226 0 3 FKAF C[S@](=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N 5658646 BCCLLEGQIPOMJZ-XMMPIXPASA-N 370.524 5.011 0 1 FKAF CN(CCCCc1ccccc1)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1 13557315 WNKDOXHPSHAXOX-XNMGPUDCSA-N 369.552 6.088 0 1 FKAF Cc1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2)CCCCC1 13833500 SDGLYIYTVDBENT-UHFFFAOYSA-N 364.533 6.142 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC=C2c1cccnc1 26498518 UNJQRCXVHBZVTM-YHZGKJESSA-N 351.534 5.479 0 1 FKAF O=C(O)[C@H](CCC/C=C(\c1ccccc1)c1cccnc1)Cc1ccccc1 26737306 KAVOZZRQMUUEPE-ZHNJOBQTSA-N 371.480 5.627 0 1 FKAF Cc1cc(CCCCCCCOc2ccc(C(=O)OC(C)(C)C)cc2)on1 27856180 RLIDBBVEZOPLDJ-UHFFFAOYSA-N 373.493 5.510 0 1 FKAF CCCCC[C@@H](c1cccc(O)c1)[C@@H](CCCCC)c1cccc(O)c1 28219231 DGAJTFGSSGZARL-ZEQRLZLVSA-N 354.534 7.126 0 1 FKAF O=C(Cc1ccccc1)Nc1ccc2[nH]nc([C@@H]3C[C@H]3c3ccccc3)c2c1 34997349 CIWJUMXZAYFUEI-VQTJNVASSA-N 367.452 5.015 0 1 FKAF COC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 39242736 SVGMWHLQKLVYNV-HXUWFJFHSA-N 368.816 5.425 0 1 FKAF CC(C)[C@H](C(=O)Nc1ncc(C(F)(F)F)s1)c1ccc(Cl)cc1 45394147 HFEMZAFKQONWLL-LBPRGKRZSA-N 362.804 5.194 0 1 FKAF Cc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@@H](c1ccc3oc4ccccc4c3c1)N2 72118030 GREPKODIKWELEL-ZYKLXPEUSA-N 369.464 6.529 0 1 FKAF CC(C)=CCC/C(C)=C\CN(C)C(=N)N(C)C/C=C(/C)CCC=C(C)C 84154163 NQJSPBXUQXWVRB-BMJUYKDLSA-N 359.602 6.170 0 1 FKAF biogenic,in-vitro O=C(O)CCCCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 102184834 CKZGRGZXFFNECL-CBJLSAFISA-N 360.582 6.680 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](C)(O)C[C@@]43C)[C@@H]1CC=C2c1cccnc1 169275594 JWKDQOYWIWZKKH-OXFOUTFXSA-N 351.534 5.479 0 1 FKAF Cc1c(Br)ccc2nc([C@H](C)SCc3ccccc3)[nH]c12 586962052 AWERMYWQMBACAQ-LBPRGKRZSA-N 361.308 5.628 0 1 FKAF Cc1c(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075580 IWNHQBZHPRDTGK-UHFFFAOYSA-N 364.880 5.675 0 1 FKAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)n1 587080622 RGLDOXUPDSWQFF-ZETCQYMHSA-N 360.742 5.209 0 1 FKAF COc1ccc2c(c1)-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587107538 UKUSGQAVJBKEIB-UHFFFAOYSA-N 363.416 5.220 0 1 FKAF CSc1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587122979 HDNTWRUFJXISIE-WTKPLQERSA-N 366.433 6.067 0 1 FKAF Cc1ccc(C)c2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc12 587128592 CAYPNYXSTBJUNY-MRVPVSSYSA-N 374.769 5.514 0 1 FKAF Cc1c(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165767 DCCZGOABGBRDME-UHFFFAOYSA-N 361.464 5.980 0 1 FKAF CC(C)(C)OC(=O)N1CCCCC[C@H]1Cc1cc2c3c(cccc3n1)CC2 587213090 TUASWEIFEIBACK-IBGZPJMESA-N 366.505 5.056 0 1 FKAF COc1cccc(-c2cc([C@@H]3CCCOC3)nc3c2oc2ccccc23)c1 587367330 VNTLTYPUFOBWCO-MRXNPFEDSA-N 359.425 5.551 0 1 FKAF O=C1C[C@]2(CCc3c(F)ccc(Cl)c32)Oc2c1ccc1c2CCCC1 587506370 JZHGATWDWBIXPN-NRFANRHFSA-N 356.824 5.165 0 1 FKAF CC(C)[C@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509299 YIGUVCDFBFTZMC-QFIPXVFZSA-N 356.412 5.360 0 1 FKAF O=C1C[C@](CC2CCCC2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587521411 FJYLAFXYTRLTPA-RUZDIDTESA-N 360.497 6.006 0 1 FKAF Cc1cc(OCCc2c(C)[nH]c3cc(Cl)c(F)cc23)ccc1Cl 587628093 IAAUBLZPPWMBLO-UHFFFAOYSA-N 352.236 5.852 0 1 FKAF O=C(O)Cc1c(-c2ccc(F)c(Cl)c2)[nH]c2cc(Cl)c(F)cc12 587629695 XQHMWCVBTHHOSE-UHFFFAOYSA-N 356.155 5.047 0 1 FKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)CCCC2 653816354 GHSRSSNPICZZBM-SNAWJCMRSA-N 359.435 5.729 0 1 FKAF COc1ccc([C@H]2NCCc3c2sc(C)c3C)cc1O[C@@H]1C=CCCC1 963023089 LDHQEYGYOMIXLH-DYESRHJHSA-N 369.530 5.096 0 1 FKAF CCCCC[C@@]1(c2ccc(O)cc2)c2ccccc2C[C@@H](C)N1CCC 963230781 AIWQCJDYMAFNKF-NTKDMRAZSA-N 351.534 5.873 0 1 FKAF COc1ccc2c(c1)[C@@]1(C=CCCCCC1)N(Cc1ccc(F)cc1)CC2 963303334 PFWKMCCLVUYJSI-DEOSSOPVSA-N 365.492 5.608 0 1 FKAF COc1cc(CCc2ccccc2)cc(O)c1CC=C(C)CCC=C(C)C 2356588653 ZDSBUUDXDQSCSK-UHFFFAOYSA-N 364.529 6.421 0 1 FKAF S=c1[nH]c(-c2ccc(Cl)cc2Cl)nn1CCc1ccccc1 13536890 OFYWDYOOWQQQOL-UHFFFAOYSA-N 350.274 5.157 0 1 FKAF CCCCC[C@H](O)CCC[C@@H](CCCc1cccc(C(=O)O)c1)C(C)=O 27085974 IMGVNPALGBFDNS-CTNGQTDRSA-N 362.510 5.024 0 1 FKAF COc1cc(Cc2c(-c3ccco3)[nH]c3ccccc23)cc(OC)c1OC 95596417 KKWPHRFZXUJYCK-UHFFFAOYSA-N 363.413 5.045 0 1 FKAF COc1ccc([C@H]2Nc3cc(C)ccc3N=C3CC(C)(C)CC(O)=C32)cc1 104698546 WCPOBBLQMGNJPM-JOCHJYFZSA-N 362.473 5.875 0 1 FKAF CC(=O)OC/C(=C/C[C@]1(C)[C@H]2CCC[C@@H](C)[C@]2(C)CC[C@H]1C)CC(=O)O 136950249 TUFNPGGUGDWLPI-VNDRYQQWSA-N 364.526 5.219 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2[C@@H](C)CC1 169332977 MSUHGDQBGRIICK-YESZJQIVSA-N 356.550 7.067 0 1 FKAF COc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1C 587015400 CGJZGTSHNVKLPY-UHFFFAOYSA-N 355.850 5.324 0 1 FKAF Clc1ccccc1OCc1ccc(-c2nc3c(Cl)cncc3[nH]2)cc1 587063464 NNNIMKYHQMHHLH-UHFFFAOYSA-N 370.239 5.511 0 1 FKAF COc1cnc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1Cl 587065142 VCVMRXBGNHQETL-UHFFFAOYSA-N 351.793 5.079 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587068904 FRUSOHFKQXWOTH-QMMMGPOBSA-N 368.651 5.295 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2c1 587084770 HYPGZYCIMPHGIJ-UHFFFAOYSA-N 365.717 5.589 0 1 FKAF Cc1ccc2c3c(c(C(C)C)c(-c4cccs4)nc13)-c1ccccc1C2=O 587102870 QYIWBVJKZIUDKA-UHFFFAOYSA-N 369.489 6.607 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3ccccc3cc2[nH]1 587113944 PEPZQVSECWEYOS-CYBMUJFWSA-N 354.375 6.081 0 1 FKAF Fc1ccc(-c2ccccc2-c2nc3cnc4ccccc4c3[nH]2)cc1F 587145806 RJVOCDQEEKLIPB-UHFFFAOYSA-N 357.363 5.723 0 1 FKAF CC1(C)C([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C 587353570 LHXQFIARIAWTFX-FDDCHVKYSA-N 368.448 5.331 0 1 FKAF C[C@H](CC[C@@H](C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)CC(C)(C)C 587527960 XYIRPJFYMNNTFW-YVHKJVDXSA-N 356.550 6.388 0 1 FKAF O=C1C[C@@H](c2ccc([C@@H]3CCCO3)s2)Oc2c1ccc1c2CCCC1 587532290 PGGKPPNGCMXMBS-ROUUACIJSA-N 354.471 5.185 0 1 FKAF CC(C)[C@@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601199 FSAHFWAENNPWAZ-REWPJTCUSA-N 366.457 5.329 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCc3ccccc32)N1 587817173 IZKLLBLJWPFWSI-XCLFUZPHSA-N 374.297 5.092 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2csc(Cl)c2)N1 587849161 QZUCYAXFTGZQOE-VXJOIVPMSA-N 374.706 5.101 0 1 FKAF COc1ccc(Cl)c2sc(-n3nc4cc3Oc3ccc(F)cc3-4)nc12 587875869 KQGHWGIJJNAMRO-UHFFFAOYSA-N 373.796 5.056 0 1 FKAF CCCC/C=C\c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587964740 BTZOCUUTKLVPFQ-WAYWQWQTSA-N 363.177 5.427 0 1 FKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(Cl)cc(Br)c3[nH]2)C1 587969970 WGTNYGXCCYNCFE-NXEZZACHSA-N 355.707 5.909 0 1 FKAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@H]2[C@@H]1c1ccc(Cl)cc1 653887537 OJVYJIIXANIOCP-AKIFATBCSA-N 374.871 5.481 0 1 FKAF Cc1cc(C)cc([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c1 962713247 QPEYZOSEPMNCNH-PGRDOPGGSA-N 355.522 5.070 0 1 FKAF Cc1cc(Nc2cc(-c3ccccc3)cc(-c3ccccc3)c2)nc(N)n1 1772618731 WKYUKBOTFLBJEA-UHFFFAOYSA-N 352.441 5.445 0 1 FKAF CC(C)(C)c1cccc(N=c2[nH]c(-c3ccccc3)nc3ccccc23)c1 1857558686 YSNUUAYHDXLGOA-UHFFFAOYSA-N 353.469 5.760 0 1 FKAF CN(c1ccc(Cl)cc1)c1cc2oc(-c3ccco3)nc2c2ccccc12 1857633862 UOIXJRTYFPPFDE-UHFFFAOYSA-N 374.827 6.662 0 1 FKAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5[C@H](C[C@]4(C)[C@H]3CC[C@]12C)C5(F)F 2356320046 BRZLCOPFROJRBE-NRYCYPDBSA-N 366.492 5.452 0 1 FKAF O=C(Nc1cccc(C(F)(F)F)c1)c1sc(Cl)nc1C(F)(F)F 2182891 JXIYETMIUPXRAJ-UHFFFAOYSA-N 374.693 5.086 0 3 FKAF CCCCC(C)(C)[C@@H](O)c1cccc(OCc2cccc(C(=O)OC)c2)c1 25985043 BBZMOSMKOMFEJR-NRFANRHFSA-N 370.489 5.302 0 1 FKAF CCC(=O)C(Cc1ccc(/C=C/c2ccc(O)cc2Cl)cc1)C(=O)CC 34075126 JFINKWKKGUBUNJ-MDZDMXLPSA-N 370.876 5.333 0 1 FKAF Fc1ccccc1Nc1nc(C(Cl)(Cl)Cl)nc2ccccc12 43076944 HQUYWSKBDHWAPN-UHFFFAOYSA-N 356.615 5.339 0 1 FKAF O=C1N(c2ccc(Cl)cc2)CC(=S)N1c1ccc(Cl)c(Cl)c1 45260553 KWBQHFNVLNKYBB-UHFFFAOYSA-N 371.676 5.421 0 1 FKAF CCCC[C@@H](CC)CNCc1coc(-c2ccc(Br)cc2)n1 72184817 JFBLCXBWJWCTCQ-CQSZACIVSA-N 365.315 5.410 0 1 FKAF O=C(c1cccs1)c1cc2cc(Br)ccc2oc1=S 84670180 KASWYZPRVQOAGQ-UHFFFAOYSA-N 351.246 5.217 0 1 FKAF C[C@@H](CC(C)(C)C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197773 UVXIRTGIDQOKGE-JTQLQIEISA-N 373.444 5.292 0 1 FKAF CCOC(=O)/C=C(C)/C(F)=C\C=C(C)\C=C\c1c(C)cc(OC)c(C)c1C 169289815 VBGDBEICNQTNPT-OCDPLBLISA-N 372.480 5.943 0 1 FKAF CC/C=C\C/C=C\C/C=C\C=C/C/C=C/C/C=C\CCC(=O)N[C@H](C)CO 169345852 MNEVPRCUHDRUJY-QLTHLCOISA-N 371.565 5.571 0 1 FKAF CC(=O)c1ccc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2c1 586882449 UDPAUTMESIYOMW-UHFFFAOYSA-N 368.436 5.280 0 1 FKAF C[C@@H]1CC(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C[C@@H](C)C1 586991498 NPEBVUIXVDSSGG-KBPBESRZSA-N 357.453 5.692 0 1 FKAF Fc1cc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2cc1C(F)(F)F 587085766 GOSOAFUBLZCXCE-UHFFFAOYSA-N 365.717 5.589 0 1 FKAF CC(=O)CC/C=C/CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099700 SNEAEIWNTPUKQK-ONEGZZNKSA-N 369.464 5.613 0 1 FKAF CC(C)(c1ccc(F)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103859 KCZKOOXQUQTCPV-UHFFFAOYSA-N 367.423 5.911 0 1 FKAF COc1ccc(-c2ccc(-c3nc4ccc(OC)cc4[nH]3)c(F)c2)c(F)c1 587152414 MXIGFFPGMMYWSH-UHFFFAOYSA-N 366.367 5.192 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 587250949 UMIQFCVVXZXYMB-UHFFFAOYSA-N 369.346 5.378 0 1 FKAF CCOc1ccc2ccccc2c1C(=O)c1coc2ccc(Cl)cc12 587278136 HFDFTKXTIFMBND-UHFFFAOYSA-N 350.801 5.869 0 1 FKAF Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 587494995 BBLANERNIGLLCQ-IBGZPJMESA-N 371.274 5.343 0 1 FKAF Cc1ccccc1[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599808 HQWLVDLIEPRQTB-URXFXBBRSA-N 374.436 5.214 0 1 FKAF CC(C)(c1ccccc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600028 KGKVXDVTNKYMAL-YKSBVNFPSA-N 374.436 5.090 0 1 FKAF CC(C)(C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 587604020 UAWKYTNAXHCUGF-LEWJYISDSA-N 374.436 5.090 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cccs3)c(C(=O)C(F)(F)F)c2c1 587639831 DORHPECVFPQTIK-JTQLQIEISA-N 351.393 6.155 0 1 FKAF Cc1cccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)[nH]c12 587808301 YDJIEVVNRUJKCN-NSPYISDASA-N 373.269 5.002 0 1 FKAF CC[C@H](C)[C@@H]1CC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587817514 LJSHECPITLIYIR-ZVZLLHMNSA-N 354.307 5.164 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=CC[C@H]3C[C@@H]2C3(C)C)N1 587822414 KFVUDEQJSOGXCR-LVCVYDAWSA-N 364.302 5.156 0 1 FKAF CC[C@@H](OC(=O)c1ccccc1)c1nc(-c2ccc(C)c(C)c2)cs1 587920359 GAPLBFLQORTWBM-LJQANCHMSA-N 351.471 5.735 0 1 FKAF Fc1cc(Br)cc2nc(/C=C\c3cccc4ccccc34)[nH]c12 587966355 BQAPEJDSOGOBRN-HJWRWDBZSA-N 367.221 5.788 0 1 FKAF CN(CCCc1ccc(-c2ccccc2)cc1)Cc1coc2ccccc12 1772610895 IMFGPSWUKNRFQI-UHFFFAOYSA-N 355.481 6.164 0 1 FKAF COc1cccc(C(n2ccc3ccccc32)n2ccc3ccccc32)c1 1772638761 ASQLFWSCXLJJEJ-UHFFFAOYSA-N 352.437 5.700 0 1 FKAF CCn1c(=O)cc(C2CC2)c2cc(-c3nccnc3-c3ccccc3)ccc21 1857609990 SEHSHPMRWCPZSE-UHFFFAOYSA-N 367.452 5.023 0 1 FKAF OCC=Cc1ccc(-c2ccc(O)c(C3C4CC5CC(C4)CC3C5)c2)cc1 2356322925 DKPLDSKVQCRDCP-UHFFFAOYSA-N 360.497 5.604 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1ccoc1 2356648686 MMBGEJBNENOQLD-UHFFFAOYSA-N 354.578 8.358 0 1 FKAF O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(Cl)cc(Cl)c1O 2382237203 REFJRKVFTFESKM-UHFFFAOYSA-N 374.223 5.744 0 1 FKAF CCCCc1c(-c2ccccc2OC)ncn1CCc1cccc(Cl)c1 95565661 KBYRPEYOJRXDJY-UHFFFAOYSA-N 368.908 5.797 0 3 FKAF CCCCc1c(-c2ccccc2OC)ncn1[C@@H](C)c1ccc(Cl)cc1 169304207 XXBMWDKNXKHRIS-INIZCTEOSA-N 368.908 6.164 0 3 FKAF Clc1cc(Cl)cc(Nc2nc3ccccc3nc2-c2cccs2)c1 1625161 CSDYWGJYKXYELR-UHFFFAOYSA-N 372.280 6.409 0 1 FKAF CCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]21C 12656661 RSEPBGGWRJCQGY-FPQOSCNCSA-N 356.506 5.350 0 1 FKAF CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3)n(C)nc12 13553406 RZYYKIAFLNXLER-UHFFFAOYSA-N 356.901 5.224 0 1 FKAF O=C1c2ccccc2CCC12CCN(Cc1ccc(C(F)(F)F)cc1)CC2 13734356 UGXPMUFKPRFZOM-UHFFFAOYSA-N 373.418 5.117 0 1 FKAF CC(C)=CCC/C(C)=C/CCCN1CC=C2C(C)(C)[C@H](O)CC[C@@]2(C)C1 26394237 BZZVMJFCRLBIFB-SUVORXIFSA-N 359.598 5.889 0 1 FKAF CC[C@H](C)c1cccc2c(C(=O)O)c(O)c(Cc3ccc(Cl)cc3)nc12 35087134 BWJYWBKYLBZRHI-LBPRGKRZSA-N 369.848 5.396 0 1 FKAF CCCCCc1cc(O)c2c(c1OC(C)=O)O[C@](C)(CCC=C(C)C)C=C2 43019105 ZIPSGGAAGYQIFR-HSZRJFAPSA-N 372.505 5.961 0 1 FKAF biogenic Clc1ccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)c(Cl)c1 72184638 VWVBEGOPPJPZIG-UHFFFAOYSA-N 370.239 5.560 0 1 FKAF Cc1cccc(NC(=O)Oc2ccc3c(c2)CCCN3Cc2ccccc2)c1 95577834 OFILWFVALLLCFI-UHFFFAOYSA-N 372.468 5.559 0 1 FKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4cccc(F)c4)cc3)c12 95582602 CUUZHUYOVMLMER-UHFFFAOYSA-N 374.419 5.177 0 1 FKAF Clc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C[C@@H]2c2cccs2)N3)c1Cl 100658919 QZQZBTJZISDJMB-XPCVCDNBSA-N 368.329 5.358 0 1 FKAF Cc1cccc(-n2nc(C)c3c2N=C2CCCC(O)=C2[C@H]3c2ccccn2)c1 101756444 UVINIJXELDZEAI-QFIPXVFZSA-N 370.456 5.098 0 1 FKAF CCCCCC[C@H](COc1ccc(C(=O)OCC)cc1)Cc1ccccc1 103179062 AFIDCMYGVWOZJP-NRFANRHFSA-N 368.517 6.071 0 1 FKAF Cc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)o1 103872417 PMAGJJFGMZWYNU-OSPHWJPCSA-N 370.452 6.217 0 1 FKAF C(=C\C12CC3CC(CC(C3)C1)C2)\c1ccccc1OCCN1CCCC1 169325279 FDCKFGKSBZXXRM-FPLPWBNLSA-N 351.534 5.391 0 1 FKAF Cc1c(Br)cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1C 586883681 CZBLGDGXCSAUHX-FOIQADDNSA-N 367.290 5.314 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 586883721 DCQSFBHFVGNEGS-SCLBCKFNSA-N 362.782 5.607 0 1 FKAF C[C@H]1CCc2sc(-c3nc4cc(-c5ccc(N)c(N)c5)ccc4[nH]3)cc2C1 587032781 ALBNFYUDJNGNOB-LBPRGKRZSA-N 374.513 5.248 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CCCC[C@@H]1C4)-c1ccccc1C2=O 587101356 SMHSXGMICMFHRF-CVEARBPZSA-N 353.465 5.660 0 1 FKAF Cc1c(-c2cc(F)ccc2F)nc2cccc3c2c1-c1ccccc1C3=O 587104486 WUVZZMDGAWYXSF-UHFFFAOYSA-N 357.359 5.700 0 1 FKAF Cc1cnc(Cl)c2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc12 587112016 JJFCWDQCMRDTPL-UHFFFAOYSA-N 362.742 5.154 0 1 FKAF CCCCCCOc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401161 QMOJXZHDHJELGU-NRFANRHFSA-N 353.462 5.243 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1C)([C@H]1CCC[C@@H](C)C1)O2 587404677 GURVVOSTKREUGD-VLVQHTJOSA-N 363.501 5.573 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(C)(C)C)ccc1O)CC2=O 587478748 BRRUGNPWFSQPGZ-HXUWFJFHSA-N 354.446 5.054 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(C)c1OCC)CC2=O 587482550 UHJKJFONUSOKIV-FQEVSTJZSA-N 354.446 5.067 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccncc3)c1)CC2=O 587491512 UHAWCUVGKUFCCR-QFIPXVFZSA-N 359.425 5.113 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCSc3cc(C)c(C)cc31)CC2=O 587496703 SOZWIJYQRQPTAU-QFIPXVFZSA-N 368.498 5.318 0 1 FKAF Cc1cc(C)cc(OCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587563975 DFKHTRJNHCSUCH-UHFFFAOYSA-N 354.759 5.431 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2sccc2c1 587616917 HFOGBOCVFKBDFL-UGKGYDQZSA-N 374.417 5.310 0 1 FKAF Fc1cc2c(Nc3ccc(Cl)cc3)c(-c3ccccc3)[nH]c2cc1Cl 587628455 LCIFPMROJZUQIR-UHFFFAOYSA-N 371.242 7.024 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 587630096 RJAVTLXTNQQOKH-UHFFFAOYSA-N 370.733 5.540 0 1 FKAF CC[C@]1(c2cccc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814771 VNOITBCCCQDBLE-ORAYPTAESA-N 362.286 5.084 0 1 FKAF CC1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1 653701680 BHOXWLHTVCBFOB-UHFFFAOYSA-N 362.517 5.727 0 1 FKAF Cc1cc(C)c2c(c1)OCC[C@@]21NCCc2cccc(-c3ccccc3)c21 962659963 BSEHGWUOPUHRSR-RUZDIDTESA-N 355.481 5.142 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(-c3ccc(C)cc3)no2)N1 962947462 NLHNWEHSWJPQIY-HJPURHCSSA-N 357.457 5.145 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCc3c2ccc(Cl)c3Cl)N1 962959850 QYVBZEYEUYNLGZ-GTJPDFRWSA-N 371.311 5.589 0 1 FKAF CCCCc1ccc([C@@]2(c3ccccc3)NCCc3ccc(O)cc32)cc1 963342798 TWHKODAEWPXZBE-RUZDIDTESA-N 357.497 5.172 0 1 FKAF Cc1c(Sc2cccc(C(=O)O)n2)c2ccccc2n1C1CCCC1 1772624890 CLTKFNRMIBVHOJ-UHFFFAOYSA-N 352.459 5.309 0 1 FKAF O=C(O)CCNCc1cc2c(-c3ccc4ccccc4c3)cccc2s1 1772649629 JGCAWTYGXUDFDL-UHFFFAOYSA-N 361.466 5.286 0 1 FKAF Fc1ccc2[nH]cc(C(c3c[nH]c4ccc(F)cc34)C(F)(F)F)c2c1 1857593763 NNEFOHJATAXPOU-UHFFFAOYSA-N 350.290 5.622 0 1 FKAF CCCCC(=O)N(Cc1ccc(-c2ccccc2C)cc1)c1ccccc1 1911576163 URYKGMQEGHLIER-UHFFFAOYSA-N 357.497 6.385 0 1 FKAF CC1=CCC(C)(C)C[C@H](OC(=O)C=Cc2ccc(O)cc2)CC(C)=CCC1 2356444352 SPBVSJHMHZCQRT-JOCHJYFZSA-N 368.517 6.200 0 1 FKAF COc1cc(OC)c2c(c1O)C=C[C@](C)(CC[C@@]1(C)CCC=C(C)[C@@H]1C)O2 2356474951 KDDVGLFIPJEMAU-PBNUPURSSA-N 372.505 5.736 0 1 FKAF COc1c(O)c(C)c(CC=C(C)CCCCCCc2ccccc2)oc1=O 2356475174 RLHYLTRNTUTEBU-UHFFFAOYSA-N 370.489 5.344 0 1 FKAF CC(C)C=C[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 2356636525 LLZNEPOHLDVAHJ-LATHHOIISA-N 370.621 7.063 0 1 FKAF CC=C(C)C(=O)O[C@H]1CC=C(C)CCCC(C)(C)[C@H](OC(C)=O)C=C1C 2356679045 DJZAMDRFIUQAJH-VQTJNVASSA-N 362.510 5.289 0 1 FKAF COc1ccc2nc(Nc3ccccc3C)nc(N(C)c3ccccc3)c2c1 13742300 OUQBHHFZIJKKCY-UHFFFAOYSA-N 370.456 5.458 0 1 FKAF O=C([C@@H]1C[C@@H]1CCCCOc1ccc(-c2ccccc2)cc1)C(F)(F)F 13860574 ITSACUVEMJVYBM-PKOBYXMFSA-N 362.391 5.670 0 1 FKAF CCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2C)n1 82177064 WWLXXJPKWKDJKF-UHFFFAOYSA-N 352.507 5.404 0 1 FKAF S=c1oc(-c2ccc3ccccc3n2)nn1CNc1cccc(Cl)c1 95595707 GJVLPLFWSHNJAP-UHFFFAOYSA-N 368.849 5.144 0 1 FKAF Cc1cc(C)cc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1 96910023 RTRAQWFTPPYWRI-UHFFFAOYSA-N 356.513 5.293 0 1 FKAF C(=C/c1ccc(OCc2ccccc2)cc1)\CCn1cnc2ccccc21 96938227 BAYZYEONHVXHQF-SOFGYWHQSA-N 354.453 5.719 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(OCc2ccccc2F)nn1 103166772 RTUJXDORVLRQDB-UHFFFAOYSA-N 362.326 5.189 0 1 FKAF Cc1nc([C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)co1 118922709 MCSQKDICBVZIBS-HKZQYKGFSA-N 355.522 5.390 0 1 FKAF CN(C)Cc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 145611367 WNUIQEHUCRSVPA-IBGZPJMESA-N 366.486 5.063 0 1 FKAF O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCc2ccc3ccccc3c2O1 169348137 QBGITKGJDDDHHN-GOSISDBHSA-N 372.251 5.479 0 1 FKAF CCOC(=O)/C=C(C)\C=C/C=C(C)/C=C/C1=C(C)C2(CCC1(C)C)CC2 169365480 MXRBWFXNNUQGPW-LPDYRRIASA-N 354.534 6.471 0 1 FKAF C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@]12CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1 169367999 QJVGPUYCCNEQKK-GFLMMWILSA-N 369.549 5.534 0 1 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@H]2[C@@H](C)N(C)C)C1 257494079 NLOJUKSOUNWUSW-LTDRLOLDSA-N 360.630 5.183 0 1 FKAF COc1cccc(NC(=O)c2cccc(-c3ccc4ccccc4c3)c2)c1 299833378 KSJBRXDORYEEMC-UHFFFAOYSA-N 353.421 5.768 0 1 FKAF C[C@H](c1ccccc1)c1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586990757 GOQPVVKOGCLTTJ-CQSZACIVSA-N 351.405 5.304 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c(C)s2)cc1 587013233 KGBMCQKQOISGSE-UHFFFAOYSA-N 359.376 5.388 0 1 FKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3c(Cl)ccnc3[nH]2)c1 587093757 SPORCXWYWGAMGC-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF CCc1c(-c2ncccc2C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099010 YBNFKLDVXZSELY-UHFFFAOYSA-N 364.448 5.687 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc4ncccc4c3)nc3cccc1c23 587105572 DNBVVDZCNBEWNG-UHFFFAOYSA-N 358.400 5.661 0 1 FKAF Cc1ccc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c2n1 587147696 XZAIDERLXIVLRM-UHFFFAOYSA-N 351.812 5.701 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587160606 DRBQNXRWAQXQRC-MNOVXSKESA-N 371.284 5.022 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(-c3[nH]c4ccc(F)cc4c3Cl)nc2c1 587174010 BSKCRECWBPMPTH-UHFFFAOYSA-N 371.696 5.662 0 1 FKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(C(C)(C)C)c2[nH]1)C(C)(C)C 587204392 JFWFOWVLIDMATE-MRXNPFEDSA-N 373.541 5.342 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC1(CCCCC1)C3 587208182 QYTICYJKDZTHCY-UHFFFAOYSA-N 353.465 5.885 0 1 FKAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587234053 ZSKFNBGHJZMSCV-JQWIXIFHSA-N 370.280 5.031 0 1 FKAF CC(C)Oc1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587242917 YXNMFWQZQPVKBI-UHFFFAOYSA-N 359.429 5.466 0 1 FKAF COCC[C@@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362809 KZZADYGXQLCVQS-HNNXBMFYSA-N 373.452 5.723 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1ccccc1)(Cc1ccccc1)O2 587403781 QXFACXIVTUVDJU-VWLOTQADSA-N 371.480 5.157 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc(C(F)(F)F)c1)CC2=O 587464300 NRBOPEICBWIZEP-KRWDZBQOSA-N 368.326 5.209 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(C1(c3ccccc3)CCCC1)CC2=O 587477968 ACCYDGRKWAJMJN-HSZRJFAPSA-N 364.485 5.581 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccs3)cc1)CC2=O 587495568 RXLLZESZUVHTGF-FQEVSTJZSA-N 364.466 5.780 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)Sc2ccccc21 587496135 RUMFETKCNKTFSA-ASSNKEHSSA-N 354.471 5.090 0 1 FKAF Cc1ccc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 587522617 JIAMQKRDXHPSOZ-RUZDIDTESA-N 356.465 5.908 0 1 FKAF CC[C@H](C)c1ccc(OC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524894 NHWXWRDNAQOYKR-NPMXOYFQSA-N 364.485 5.794 0 1 FKAF CCOc1c(C)cc(C)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527559 XPWBCKLSUGDNKY-NRFANRHFSA-N 350.458 5.287 0 1 FKAF CCC[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587528109 ZQEALDYHUAFWJU-QHCPKHFHSA-N 350.458 5.235 0 1 FKAF Cc1[nH]c2cccc(F)c2c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 587634121 SYSKJCXUIBVEKE-UHFFFAOYSA-N 370.733 5.540 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(F)c3)c(CC(=O)O)c2c1 587641026 IGCQBGPZVBHSAL-LLVKDONJSA-N 359.828 5.768 0 1 FKAF Cc1ccc(-c2csc(-c3ccc(NC(=O)c4ccco4)cc3)n2)cc1C 587920899 QIOUYNZRONCMCO-UHFFFAOYSA-N 374.465 5.939 0 1 FKAF Cc1cc(Cl)cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587949383 DWSGZFLOISOHAT-VAWYXSNFSA-N 360.844 6.487 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](C[C@@H](C)CCCC(C)(C)OC)N1 962945787 GUVRXOTVVMQHKI-CSODHUTKSA-N 356.554 5.755 0 1 FKAF CC1=C2C[C@]3(C)CC[C@H](C(C)C)[C@@H]3CC2=C(CO)C2=CC[C@@H](C)[C@H]2CC1 2356750890 LTSIYRVKEJCFIW-XYEHVGARSA-N 354.578 6.450 0 1 FKAF C[C@@H](c1cc(Cl)cc(Cl)c1)c1ccc2c(c1)Nc1ccccc1S2 2382226068 HUCXFOZYVSLQRI-GFCCVEGCSA-N 372.320 7.353 0 1 FKAF CCCCc1c(-c2ccccc2OC)ncn1Cc1ccc(F)c(F)c1 198627207 BJQNIZSGUBKFQE-UHFFFAOYSA-N 356.416 5.228 0 3 FKAF O=P1(Oc2ccc(Cl)cc2Cl)Oc2cc3ccccc3cc2O1 1616877 VBRVCONQQWHIKQ-UHFFFAOYSA-N 367.124 6.105 0 1 FKAF Fc1cccc(F)c1[C@H]1SCc2nc3cc(C(F)(F)F)ccc3n21 5932883 FEWMJLHUMQWSNW-OAHLLOKOSA-N 356.319 5.127 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@H]1CCc2cc(O)ccc2O1 13480724 WSTGHGHPTQPFAP-IHPKNFMKSA-N 368.561 7.285 0 1 FKAF endogenous,in-man CC1(c2cc(-c3ccc4cc(C(=O)O)ccc4c3)ccc2O)CCCCC1 13745045 YTIUQMMDBNOKFS-UHFFFAOYSA-N 360.453 6.132 0 1 FKAF Clc1ccc(-c2cc([C@H]3CCCCN3Cc3ccccc3)n[nH]2)cc1 13763851 HZAQPOKTYPPOTH-OAQYLSRUSA-N 351.881 5.457 0 1 FKAF CC1(C)C2=CC[C@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@]4(C)O)[C@@]2(C)Cc2cnoc21 28008081 AXLOCHLTNQDFFS-SUMFRYMYSA-N 355.522 5.038 0 1 FKAF C[C@H](N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1 35049335 UBCANUJMHQFBRX-ORAYPTAESA-N 369.306 5.659 0 1 FKAF CC(C)=CCC/C(C)=C/CC[C@@H](C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 36351369 RGSSXFUDGRJQJF-JZWQPCAQSA-N 361.614 5.967 0 1 FKAF O=C1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1 53314465 IGGYRYMEBKBTEX-UHFFFAOYSA-N 372.346 5.162 0 1 FKAF CCc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccccc2C)s1 82177428 CPJWGZRFSDLHMD-UHFFFAOYSA-N 364.518 5.128 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1c(O)cc(O)c(C=O)c1C 85546692 GBEALZXDMSUKNN-VZRGJMDUSA-N 372.505 6.017 0 1 FKAF COc1cccc(C(=O)Nc2cc(C)c(Oc3ccc(O)cc3)c(C)c2)c1 96285791 CGWSHFPCZCSZNN-UHFFFAOYSA-N 363.413 5.062 0 1 FKAF C[C@@]12C=C(/C=C\C=C\c3ccco3)[C@@](C)(C1)[C@@H](/C=C\c1ccco1)CC2=O 169332500 UQMOFGNDJAVHLT-XIWXJIOBSA-N 360.453 6.087 0 1 FKAF OCCCCCCCCCCCc1nc2cc(Cl)c(F)c(F)c2[nH]1 586894914 YCQFIWXDOSUNNN-UHFFFAOYSA-N 358.860 5.540 0 1 FKAF Cc1ccc2c3c(cc(-c4c(O)cccc4Cl)nc13)-c1ccccc1C2=O 586993392 LOWAGEMZTXSWKB-UHFFFAOYSA-N 371.823 5.781 0 1 FKAF Clc1ccc(-c2cc(-c3nc4c(Cl)ccnc4[nH]3)ccc2Cl)cc1 587048841 ZBLCRYYNLVTSRC-UHFFFAOYSA-N 374.658 6.252 0 1 FKAF Cc1ccc2c3c(cc(-c4cnc5ccoc5c4)nc13)-c1ccccc1C2=O 587095875 CHOVAPOUIINQGG-UHFFFAOYSA-N 362.388 5.563 0 1 FKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1 587150906 URYBTCVFMAPDCQ-SFHVURJKSA-N 369.802 5.696 0 1 FKAF Cc1cc(Cl)cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 587204808 LRUDECLSUJPLPF-AWEZNQCLSA-N 365.905 5.007 0 1 FKAF CCCCc1ccc(-c2nc3cccc4c3c(c2CCC(=O)O)CC4)cc1 587215444 OLMZZDDSVZGAAD-UHFFFAOYSA-N 359.469 5.360 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2cc(Cl)c(F)cc2[nH]1 587240869 JZCGPKAWVHIJSD-UHFFFAOYSA-N 367.811 5.775 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C)cc4)cc1)[C@@H](C2)C3=O 587446145 URXHOGIUSYBQMK-GBXCKJPGSA-N 356.421 5.159 0 1 FKAF O=C1C[C@@](/C=C2/CCCO2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587530556 DKEQOSRKURZFOY-WTPZTIPBSA-N 360.453 5.120 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccccn3)c(-c3ccc(Cl)cc3)[nH]c12 587625034 ZOQNCORUYCEJKL-UHFFFAOYSA-N 353.252 6.512 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(F)c2)N1 587724005 DIHZOKOVZBKDNU-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF Cc1cc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2[nH]1 587801960 IZYVJDRQQFVLGJ-NSPYISDASA-N 373.269 5.002 0 1 FKAF Cc1ccc(C)c(C[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587821906 YPEDPGYXJJMEEJ-ORAYPTAESA-N 362.286 5.023 0 1 FKAF CC[C@@]1(Cc2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587853730 RETAESSJKUZMOL-DIFFPNOSSA-N 368.315 5.032 0 1 FKAF O=C(O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587949672 KNALZYIHWBSOJG-ACCUITESSA-N 356.381 5.224 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587952121 LZAMOAHPTJZGQH-CECAUBDESA-N 364.489 6.402 0 1 FKAF COc1ccc(Cl)c2c1CCN[C@H]2C1CCC(c2ccccc2)CC1 963257108 HIGOOKIATTXTHR-XWTGJVNOSA-N 355.909 5.509 0 1 FKAF COc1ccc2[nH]c3c(c2c1)CCN(c1nc2ccc(Cl)cc2s1)C3 1857559341 FXNNDZZJCURNQL-UHFFFAOYSA-N 369.877 5.002 0 1 FKAF COc1cc(C)c2c(c1)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)C(=O)O)O2 1857588498 AABSZBMLGKTAOK-YGWYNWFMSA-N 372.505 5.625 0 1 FKAF C[C@H](CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356456927 XAFQBISUIKGUJZ-DBYIJJBTSA-N 360.538 5.037 0 1 FKAF CCC=CCC=CCC=CC=C[C@H](O)CC=CCCCCCC(=O)OC 2356595300 ASDVBLDKFHDZRJ-QFIPXVFZSA-N 360.538 5.832 0 1 FKAF CCC[C@H](O)CC[C@@](C)(O)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356716542 QFNAZHJHBGQQAF-URXFXBBRSA-N 364.614 6.712 0 1 FKAF COC(=O)C[C@H](C)CCCC=C(C)CCc1coc(Cc2ccco2)c1 2356725536 OFHHQFBCPQSBJL-GOSISDBHSA-N 358.478 5.712 0 1 FKAF CCCCC[C@H](O)C=CCCCCC[C@@H](CCc1ccccc1)CC(=O)O 2356776415 HVWLGPCYLSPKLN-GOTSBHOMSA-N 374.565 6.158 0 1 FKAF CC[C@@H](C)CCCCCCCCCCCCC[C@@H](O)CC1=CC(=O)OC1 2356800002 POQVWCOTAJKMEE-IFMALSPDSA-N 366.586 6.338 0 1 FKAF CCCOc1ccc([C@@H](C)c2ccc3c(c2)Nc2ccccc2S3)cc1 2382236925 PSGFYBMYOFACRC-MRXNPFEDSA-N 361.510 6.835 0 1 FKAF c1ccc2c(NCCCCCCNc3ccnc4ccccc34)ccnc2c1 6117718 OYXLOBNKXFANLF-UHFFFAOYSA-N 370.500 5.867 0 1 FKAF CCCN(CCCc1ccccc1)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 13741769 YXESVSAQXNVTIV-QFIPXVFZSA-N 374.528 5.183 0 1 FKAF CSc1ccc2c(Cc3ccc(Cl)cc3)ccc([C@@H](C)C(=O)O)c2c1 26648833 BNUPVYGGLHTBCE-CYBMUJFWSA-N 370.901 5.994 0 1 FKAF CC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2cc(C(C)=O)ccc12 29488244 AKWTVXBFLXFAJA-UHFFFAOYSA-N 369.420 5.401 0 1 FKAF Cc1ccccc1-c1c(Cl)ccc2c1C=C(C(=O)O)[C@H](C(F)(F)F)O2 66259132 VRVDZPBFYOIWQP-MRXNPFEDSA-N 368.738 5.107 0 1 FKAF CC(C)c1ccccc1-c1ccc(O[C@H](Cc2ccccc2)C(=O)O)cc1 95597509 LGZFNUULAZCXCA-HSZRJFAPSA-N 360.453 5.552 0 1 FKAF in-vitro COc1cc2c(cc1[C@H](C)N(C)CCCc1ccccc1)C=CC(C)(C)O2 96932103 VPDDRYWFFSXXSV-SFHVURJKSA-N 365.517 5.505 0 1 FKAF CCCCC/C=C\C/C=C\CCCCCCCCCCCCC(=O)O 145982014 OGEMOELKNFXQBO-HZJYTTRNSA-N 350.587 7.835 0 1 FKAF Cc1ccc([C@H](C[C@H](N=O)c2ccncc2)c2ccc(N(C)C)cc2)cc1 169730239 MITMTGJJFPFSEA-GOTSBHOMSA-N 359.473 5.486 0 1 FKAF CC/C=C\C/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)OC)OC(C)=O 238739206 RFNFBBJIGIIGSS-IFJHIGKFSA-N 374.521 5.623 0 1 FKAF O=C1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 299806103 HTTRVPAJFFVJTE-MMEFYLPPSA-N 359.513 5.162 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(C)c(C)cc3[nH]2)c1 586882400 RQPRVAKNJDMPHL-UHFFFAOYSA-N 354.453 5.695 0 1 FKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 586885689 DBESZCYTXZHVHU-BZNIZROVSA-N 366.408 5.320 0 1 FKAF Cc1cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2cc1Cl 587075782 MDFCKYLNBNSWBD-UHFFFAOYSA-N 357.244 5.339 0 1 FKAF COC(=O)CCCC[C@@H](C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106112 IEZCRYISTVUEKZ-OAHLLOKOSA-N 373.452 5.283 0 1 FKAF CCc1ccc2nc(-c3ccc(-c4ccc(OC)cc4F)cc3F)[nH]c2c1 587151292 GXZPRGOMDMMDBO-UHFFFAOYSA-N 364.395 5.746 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3c(Cl)ccnc3[nH]2)c1 587158842 QZNJFODFCRIVPV-UHFFFAOYSA-N 367.811 5.017 0 1 FKAF COC(=O)Nc1ccc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc1 587244126 WZLNCWHCXSBFCR-UHFFFAOYSA-N 367.352 5.020 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CN(C(C)C)CC3)c1 587362147 CIVJYYPGDQOERF-UHFFFAOYSA-N 372.468 5.423 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccccn3)c1)CC2=O 587488761 JKQMINYOJJPLAO-JOCHJYFZSA-N 359.425 5.113 0 1 FKAF O=C1C[C@@H](c2ccc(F)c(OC3CCC3)c2)Oc2c1ccc1c2CCCC1 587509158 XKXKFJIPWBUSNQ-NRFANRHFSA-N 366.432 5.342 0 1 FKAF Nc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511267 OLHPKYCDVJOQNQ-VWLOTQADSA-N 369.464 5.057 0 1 FKAF CC1(c2ccccc2)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587521546 CTOQYZJCMNVOGN-UHFFFAOYSA-N 360.497 5.801 0 1 FKAF O=C1C[C@@]2(CCc3cc4ccccc4cc32)Oc2c1ccc1c2CCCC1 587524772 MWFQGKQHGIRBEE-RUZDIDTESA-N 354.449 5.526 0 1 FKAF O=C1C[C@@H](CCc2cnc3ccccc3c2)Oc2c1ccc1c2CCCC1 587528392 ZABLMNQZJZWGGG-LJQANCHMSA-N 357.453 5.080 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]1CCCC[C@H]1C2 587601595 DUNPQHKIXGKOJP-FJLFQLCHSA-N 364.441 5.083 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)c3ccc(Br)cc3)c2c1 587638730 JGORXUWEPWDQJF-GFCCVEGCSA-N 370.290 5.983 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)c(Cl)c3)c(CC(=O)O)c2c1 587640880 FSIKTMHTPWJFNS-LLVKDONJSA-N 359.828 5.768 0 1 FKAF CC[C@]1(Cc2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587850200 CPHYUHGCQAXDEF-APPDUMDISA-N 368.315 5.032 0 1 FKAF COc1ccc2c(c1)[C@]1(CCC[C@H](c3ncccc3C)C1)N(C(C)C)CC2 962090751 MUHDPXRYEGZQQO-GBXCKJPGSA-N 364.533 5.218 0 1 FKAF COc1ccc(-c2c(Nc3ccc(C)c(O)c3)c3ccccc3oc2=O)cc1 1772622583 KMXKEHYEVFRNMV-UHFFFAOYSA-N 373.408 5.226 0 1 FKAF CC(=O)OC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356830382 JHODWVUVWQQBHM-IJVLDRICSA-N 374.565 5.126 0 1 FKAF CC(C)C[C@@H](N)c1csc(NC(=O)Nc2ccccc2C(C)(C)C)n1 61897667 FDOCSWGFXDSARI-CQSZACIVSA-N 360.527 5.131 0 3 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@@]21C 118913785 KGXLWYQCBAUILI-OPTMKGCMSA-N 372.549 5.491 0 3 FKAF in-vitro CCCCOP(=O)(CCCSc1cccs1)OCCCC 13488975 KWYKZJHMNSLVTK-UHFFFAOYSA-N 350.486 6.057 0 1 FKAF CCCCCOC(=O)C[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1 28757869 RWCNBCAALKZWTQ-VXKWHMMOSA-N 370.489 5.499 0 1 FKAF CC1CCN(CCCCn2c3ccccc3c3nc4ccccc4nc32)CC1 31848153 OODNPOAJDQNGQJ-UHFFFAOYSA-N 372.516 5.250 0 1 FKAF CC[C@@H](COc1ccc(Cl)cc1Cl)OC(=O)NCc1ccccc1 38231064 RYMZRMGJRSZKBG-HNNXBMFYSA-N 368.260 5.077 0 1 FKAF Clc1cccc(Nc2ncnc3nc(Nc4ccccc4)sc23)c1 40892537 BZHGWJFQGLQTNX-UHFFFAOYSA-N 353.838 5.227 0 1 FKAF COc1ccc(C(=O)c2cc3ccccc3cc2-c2cccnc2)cc1F 40976995 LASPENKOVSEGST-UHFFFAOYSA-N 357.384 5.281 0 1 FKAF CCCO[C@@]1(C)CC[C@H]2[C@@H]3C[C@H](C)[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 45497300 VCXZJMYRKWGKAE-ATCDZYRISA-N 374.609 6.276 0 1 FKAF O=C(O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1-c1ccccc1 45497543 KCSKUPWTCFWQAL-FQEVSTJZSA-N 352.817 5.082 0 1 FKAF CC(=O)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1 66112743 MKGLHRUEIQCGEH-UHFFFAOYSA-N 358.228 5.076 0 1 FKAF CCCCN(CCCC)CCCNCc1coc(-c2ccc(C)cc2)n1 72183857 SPWQLJSFTHLDLV-UHFFFAOYSA-N 357.542 5.032 0 1 FKAF CC[C@@]12C=C(/C=C\c3ccccc3)[C@@](CC)(C1)[C@H](c1ccccc1)CC2=O 73067573 NLQQTNRSVHYIMW-LTOCYGLZSA-N 356.509 6.579 0 1 FKAF Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 95553271 LSLSCWLXHGWMDU-UHFFFAOYSA-N 363.432 5.430 0 1 FKAF Clc1ccccc1-c1nnc(SCc2nc3ccccc3[nH]2)s1 103185616 OEMANPJRSRINLH-UHFFFAOYSA-N 358.879 5.027 0 1 FKAF CCc1ccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2c1 587002862 DYGPHTXOMMKYKE-UHFFFAOYSA-N 355.235 5.609 0 1 FKAF Cc1cc(Br)c2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 587027304 AYNPRFZCYNLGDJ-UHFFFAOYSA-N 370.275 5.424 0 1 FKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C)cc2[nH]1 587034245 FTUNDNSPSQMEME-MRXNPFEDSA-N 363.486 5.357 0 1 FKAF FC(F)(F)c1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1Cl 587036787 NDXSVJZRISGSLY-ZDUSSCGKSA-N 374.840 5.675 0 1 FKAF CSc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587062036 APUXKOIDHHDNHW-UHFFFAOYSA-N 364.901 6.196 0 1 FKAF Cc1ccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1C(F)(F)F 587095429 YOPWRLZXXMOIKC-UHFFFAOYSA-N 360.166 5.183 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)CCCC3 587114867 XYAUMOSYXKZMBG-ZDUSSCGKSA-N 358.407 5.807 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCc1cc2c3c(cccc3n1)CC2 587212487 AYORMXQIVNZSBA-ZGRPYONQSA-N 373.584 7.685 0 1 FKAF COc1cccc(-c2cc(C3=NCCS3)nc3c2oc2ccccc23)c1 587367582 ZXSSCTMYKOITFT-UHFFFAOYSA-N 360.438 5.150 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587443478 ALEFIHAKZMWDPW-RDPSFJRHSA-N 356.421 5.025 0 1 FKAF CC(C)[C@@H]1CCc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527963 XYUAETPXYLZZRJ-OFVILXPXSA-N 360.497 5.645 0 1 FKAF Cc1ccc([C@]2(c3ccco3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587529370 AQJAOXDIGLXOCS-VWLOTQADSA-N 372.464 5.684 0 1 FKAF Fc1ccc(-c2csc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 587922769 UDXUOZUDODVWPF-UHFFFAOYSA-N 369.339 5.427 0 1 FKAF Oc1cc(C2CCCCC2)c(O)n1CCCc1ccc(Cl)c(Cl)c1 587943250 SBROYLHQJYFEQR-UHFFFAOYSA-N 368.304 5.887 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587954581 AYIJRPRTVCWBDE-UHFFFAOYSA-N 356.473 5.029 0 1 FKAF CN(C)c1cccc(CN2CC=C(c3c[nH]c4ccc(Cl)cc34)CC2)c1 1489875 CARZBYUSTQHASE-UHFFFAOYSA-N 365.908 5.177 0 1 FKAF CNCCN(C)c1cc(-c2ccc3cc(C)ccc3c2)nc2ccccc12 27316693 ZZHCHVOIGIIQIK-UHFFFAOYSA-N 355.485 5.019 0 1 FKAF CSc1ccc(-c2nc3n(c2-c2ccc(SC)cc2)CCS3)cc1 34079718 NUAVOZQGBFSTAS-UHFFFAOYSA-N 370.568 5.767 0 1 FKAF CN(/C=C1\C(=O)N(c2cccc(Cl)c2)c2ccccc21)c1ccccc1 40496280 XEBYWUVSROHRRR-HKWRFOASSA-N 360.844 5.496 0 1 FKAF CCCCCc1cc2c(c([S@](C)=O)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 45371624 VUCUVJOFUNNEBZ-QJMRKGMQSA-N 360.563 5.768 0 1 FKAF CC(C)c1ccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1 72107604 XCAIPNRGLQIZEN-DEOSSOPVSA-N 351.534 6.139 0 1 FKAF Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(Nc2cccc(Cl)c2)n1 72108115 WDDGPIPVHUVNNS-UHFFFAOYSA-N 369.255 5.984 0 1 FKAF O=C(Nc1cccc(C(=O)c2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2 84652609 VSDFRJXUYGQBEN-UHFFFAOYSA-N 374.484 5.008 0 1 FKAF COc1ccc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 95771540 AWZAITAUTLGGLM-UHFFFAOYSA-N 369.873 5.752 0 1 FKAF CC1(C)CC2=Nc3ccccc3N[C@H](c3ccc(F)c(F)c3)C2=C(O)C1 100639945 GWOMKSDEPDVLJG-HXUWFJFHSA-N 354.400 5.836 0 1 FKAF CCOc1cc(CN2CCCC2)cc(Cl)c1OCc1ccc(F)cc1 169303739 BPMFTZMIBCXOFX-UHFFFAOYSA-N 363.860 5.053 0 1 FKAF CC(C)CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169323467 UIRGBYWISWGYEM-HTZLUMBWSA-N 373.581 5.081 0 1 FKAF CSc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1 207254746 RKRGUZZZBFXEAG-UHFFFAOYSA-N 354.519 5.122 0 1 FKAF C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 299838555 VGAZUFHPGVCDDW-JRYNOBRTSA-N 362.598 5.415 0 1 FKAF CC1(C)[C@H]2CC[C@H](CNc3cc(Oc4ccccc4Cl)ncn3)[C@H]1C2 299887454 YWMBVCXILUAJCY-QLFBSQMISA-N 357.885 5.407 0 1 FKAF CCSC[C@H]([C@@H](OC)c1ccc(Cl)cc1)n1cnc2ccccc21 473108705 OGTKPBIJDMDGTA-MOPGFXCFSA-N 360.910 5.372 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)cc2)o1 586903371 OYSJYZJIPSAVKU-UHFFFAOYSA-N 358.376 5.123 0 1 FKAF CC1(C)COc2c(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cccc21 586912919 XUERTGYSLNQJSQ-UHFFFAOYSA-N 370.452 5.479 0 1 FKAF Cc1ccc2c3c(cc(CCCC(F)(F)F)nc13)-c1ccccc1C2=O 586991881 BFRLUJCLTBYAFB-UHFFFAOYSA-N 355.359 5.640 0 1 FKAF Cc1cc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2cc1C 586997489 YAMWQTWYYHGJRJ-UHFFFAOYSA-N 359.267 5.256 0 1 FKAF Brc1ccc(-c2ccc(/C=C\c3nc4ccccc4[nH]3)o2)cc1 586998732 OZGULXJFIVZHPZ-BENRWUELSA-N 365.230 5.756 0 1 FKAF COc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1F 587050672 QPNZPIGFYSJFEL-DTWKUNHWSA-N 351.208 5.289 0 1 FKAF CCc1cc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1Cl 587052971 WEMJUMYVAGINRJ-UHFFFAOYSA-N 355.652 5.665 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(=N)[nH]cc2[nH]1 587072205 OSUIWBRGOAMECJ-ZBFHTNGNSA-N 373.287 5.043 0 1 FKAF Cc1ccc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2c1 587075952 MVEDXBOLFCHYSA-UHFFFAOYSA-N 353.809 5.067 0 1 FKAF O=C1c2ccccc2-c2cc(CCc3ccc(F)c(F)c3)nc3cccc1c23 587104075 RJUNAICXGDWYAE-UHFFFAOYSA-N 371.386 5.510 0 1 FKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cccc(O)c4[nH]3)cc2F)c1 587143263 OTXQEDPISMTPLJ-UHFFFAOYSA-N 368.795 5.404 0 1 FKAF Cc1ccc(/C=C/c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1F 587146709 TWRXWJKGWYXMEK-FMIVXFBMSA-N 358.416 5.760 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C1(CCCCC1)CCC3 587206288 CDMUYHHFNWHABP-UHFFFAOYSA-N 353.465 5.984 0 1 FKAF C[C@H]1C[C@@]2(CC[C@H]1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348049 CDCOOQJPKXXQGW-DWXWKNJNSA-N 354.421 5.085 0 1 FKAF COc1cccc(-c2cc(-c3cc[nH]c(=N)c3)nc3c2oc2ccccc23)c1 587361855 AXLOJKMBUJUEDK-UHFFFAOYSA-N 367.408 5.131 0 1 FKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(C)ccc1C)[C@@H](C2)C3=O 587445661 LSOFGDSZQHTNCV-SQJMNOBHSA-N 370.448 5.003 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cc(O)cc1Cl)CC2=O 587462382 YTBFWEYCJBOKCU-MRXNPFEDSA-N 367.228 5.064 0 1 FKAF CCCCCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587476685 ACYVVNZWUYHDAD-QFIPXVFZSA-N 368.473 5.620 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccccc3)c1)CC2=O 587486237 XFLYQDPBHYFWCH-QHCPKHFHSA-N 358.437 5.718 0 1 FKAF CCCOc1cccc(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)c1 587570757 XXRXWARUHRTBCJ-UHFFFAOYSA-N 373.294 5.322 0 1 FKAF CCCC[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604290 SEDUDXJTIKYXRH-MPHOGZCYSA-N 352.430 5.083 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2ccsc12 587619902 VRJJGMFEDCOQLA-WIYYLYMNSA-N 374.417 5.310 0 1 FKAF Fc1ccc(-c2c(-c3ccc(Cl)cc3Cl)[nH]c3cccc(F)c23)cc1 587634633 NJCSTZMYNWEICR-UHFFFAOYSA-N 374.217 7.087 0 1 FKAF CCOc1ccc(OCC)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 587778751 SGYRWFWWCLHIQP-UHFFFAOYSA-N 350.340 5.046 0 1 FKAF COc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1F 587949452 GYWYPFLOAXUEOW-VAWYXSNFSA-N 360.388 5.673 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3ncsc3c2)n1 653679373 KWNBGQWPBRWXIF-GOSISDBHSA-N 372.497 5.551 0 1 FKAF Cc1[nH]c2ccccc2c1[C@H]1c2cccc(F)c2CCN1[C@@H]1CCSC1 962719035 VELSBRFIVBQPKB-IVZQSRNASA-N 366.505 5.068 0 1 FKAF Cc1cc(Br)ccc1[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963099572 ICANDZYHSOYDBP-HNAYVOBHSA-N 360.270 5.007 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1cc(C)ccn1)c1ccccc1C 963228617 MCDLRMPRTNUDHY-HFZDXXHNSA-N 370.540 5.647 0 1 FKAF O=C(COc1ccc(-c2cnco2)cc1)Nc1ccc(-c2ccccc2)cc1 1772614772 OCHXUBOZVDGXJI-UHFFFAOYSA-N 370.408 5.026 0 1 FKAF O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)[C@@H]1CCCC2(CC2)C1 1857649913 FPSRQAMOGQAEDV-SNVBAGLBSA-N 354.397 5.224 0 1 FKAF O=C(Nc1ccccc1-c1cccc2c1[nH]c1ccccc12)c1ccco1 1857759281 YJKLPZRHTOPRLC-UHFFFAOYSA-N 352.393 5.833 0 1 FKAF COC(=O)c1cc(O)c2c(c1)C=C[C@](C)(CCC=C(C)CCC=C(C)C)O2 2356643478 UERQNIPJAHMGOA-QHCPKHFHSA-N 370.489 5.816 0 1 FKAF CC[C@@H](C)c1ccc(N(C)C(=N)N(C)c2ccc([C@H](C)CC)cc2)cc1 13780669 LHPVHVWOZRZKAI-QZTJIDSGSA-N 351.538 6.221 0 1 FKAF C/C(=C\c1nc(C(=O)O)c[nH]1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 26653569 DYDVTRMDNGTYGL-GXDHUFHOSA-N 352.478 5.326 0 1 FKAF CCN(CC)Cc1ccc([C@@H](c2cccc(Cl)c2)n2ccnc2)cc1 29135506 UGTZYHNXVXRHPS-NRFANRHFSA-N 353.897 5.016 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1ccnc1C 45366167 CGMPVPXRJZJNIB-IRXDYDNUSA-N 352.931 5.653 0 1 FKAF Fc1ccc(-c2nc3ccccc3c3oc(NCc4ccccc4)nc23)cc1 49035602 QTRXDWGDLGMTHS-UHFFFAOYSA-N 369.399 5.794 0 1 FKAF CC1=CCCC(C)(C)[C@@H]1/C=C/c1cc(C(=O)Nc2ccc(Cl)cc2)no1 95580084 JDGNHQXUXMPYDJ-DOJUMQAQSA-N 370.880 5.976 0 1 FKAF COc1ccc2c(/C=C(\C)C(=O)Nc3ccc(C(C)(C)C)cc3)c[nH]c2c1 103271144 UJIXLSGMINOIBH-NTCAYCPXSA-N 362.473 5.516 0 1 FKAF OC1=C2C(=Nc3c(ccc4ncccc34)[C@@H]2c2ccc3c(c2)OCO3)CCC1 104108652 SCGGBAAVMTYJEI-NRFANRHFSA-N 370.408 5.178 0 1 FKAF COc1cccc([C@H](C)Nc2cc(-c3ccc4c(ccn4C)c3)nc(C)n2)c1 205824234 CEGUTGILILKPER-HNNXBMFYSA-N 372.472 5.125 0 1 FKAF CCCCCSCC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253636710 AIXODEBHLBBHQA-FXVYUMIJSA-N 354.556 5.295 0 1 FKAF Fc1ccccc1-c1nc2ccc(Nc3ncnc4ccccc34)cc2[nH]1 299830737 PLQAYLFONPHMJM-UHFFFAOYSA-N 355.376 5.056 0 1 FKAF Cc1ccc(F)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1F 586986420 MBLHUJFNCPDTMB-UHFFFAOYSA-N 373.358 5.405 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H]1CCCC[C@H]31 586992209 ZQAYMMMYQIFJFB-KGLIPLIRSA-N 355.437 5.372 0 1 FKAF CC(C)(C)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587049524 MIGLLIIYCAWUPQ-MNOVXSKESA-N 360.288 5.833 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccccc3-n3cccn3)nc3cccc1c23 587104304 GFQIRYORBLYUPN-UHFFFAOYSA-N 373.415 5.299 0 1 FKAF COc1ccc2c(c1)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587106212 HDUIAZQEHBWBNI-UHFFFAOYSA-N 363.416 5.220 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cc(F)c2[nH]1 587112353 GFFLIUQUENHAPN-SECBINFHSA-N 356.750 5.720 0 1 FKAF Cc1cc(F)c2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 587136800 NHNOQWYUUNNKAD-UHFFFAOYSA-N 357.585 5.232 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)(C(C)(C)C)CC2=O 587483133 VJCRTNPBVXVDJU-HSZRJFAPSA-N 368.473 5.260 0 1 FKAF Cc1cc(Cl)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587506637 NNVJPHJWUWLXCG-QFIPXVFZSA-N 354.877 5.716 0 1 FKAF CC(C)[C@H](c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602091 IURSHLCUELJNMY-LGVFNWMJSA-N 374.436 5.162 0 1 FKAF CCc1c(-c2ccc(Br)cc2F)[nH]c2ccc([C@@H](C)CC)cc12 587642494 OAWKHCCYQODSBY-LBPRGKRZSA-N 374.297 6.812 0 1 FKAF CC(C)C[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807458 CMSCGEWFCKRELR-SGTLLEGYSA-N 356.323 5.410 0 1 FKAF Fc1ccc(-c2csc(-c3ccc(OCc4ccccc4)cc3)n2)cc1 587922902 JEMMKYWLIWIRNW-UHFFFAOYSA-N 361.441 6.195 0 1 FKAF C(=C\c1ccccc1Oc1ccccc1)\c1nc2ccc3c(c2[nH]1)CCCC3 587950760 UMORBGCTAYBXOW-ICFOKQHNSA-N 366.464 6.404 0 1 FKAF FC(F)(F)c1cccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955284 GXKONDXWEUBSLP-KRWDZBQOSA-N 366.386 5.956 0 1 FKAF Cc1ccc(C)c([C@@]2(C3CCCCC3)NCCc3ccc(F)c(C)c32)c1 962093276 PKGYASFOVLKNHI-XMMPIXPASA-N 351.509 5.721 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CNc3cccc(O)c3)CCC[C@@]21C 1857545173 MOZKGGPPOCHUSV-NBABOCAUSA-N 371.609 7.099 0 1 FKAF CCCCCCOc1cc(Cl)c(C(=O)CC[N@]2C[C@@H]2C)cc1Cl 1857606399 FWEQPKVOKVCVSZ-YEJXKQKISA-N 358.309 5.229 0 1 FKAF CCCC/C=C\CCCCCCCCCCCc1cc2cc(O)ccc2o1 1911579561 ATEVVOZVELYRHJ-WAYWQWQTSA-N 370.577 8.328 0 1 FKAF CC(=O)OCC=C(C)CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356605443 GYGSQPMBVQQYCF-NPDDRXJXSA-N 350.543 5.270 0 1 FKAF CC(=O)OC[C@H](O)[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 2356669044 LKUWCXZFCSWEPD-KRXUUXHPSA-N 372.590 5.101 0 1 FKAF COc1ccc2c(c1)N=C(C1CC1)N(Cc1ccccc1)[C@H]2c1ccccc1 2382219480 CAWCZASAKJIMPY-DEOSSOPVSA-N 368.480 5.740 0 1 FKAF COc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1 13814603 NSTNECYNRLISOO-UHFFFAOYSA-N 356.421 5.752 0 3 FKAF aggregator COc1ccccc1Cc1c(-c2ccc(Cl)cc2)nc2ccc(C)cn12 199364123 YZBOBXLXZKUSAQ-UHFFFAOYSA-N 362.860 5.563 0 3 FKAF Fc1ccc(C(F)(F)F)cc1Nc1cc2[nH]c(-c3ccccc3)cc2cn1 205210111 QKVUOHIXHCPHHN-UHFFFAOYSA-N 371.337 6.131 0 3 FKAF C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CC(C)(C)S2 27443206 BSFZDTINSFODDJ-NTCAYCPXSA-N 366.526 6.497 0 1 FKAF Cc1c(Cl)c(-c2cccc3cc[nH]c23)cc2c1NC(C)(C)[C@H](O)[C@H]2C 34640800 HYZGNFIJTUJTBY-PRWKNARSSA-N 354.881 5.465 0 1 FKAF CCc1cccc2c(C3=CCN(CCc4coc5ccccc45)CC3)c[nH]c12 45369587 RPSQOMYJVGUUOS-UHFFFAOYSA-N 370.496 5.808 0 1 FKAF CC1(C)C[C@@H](c2nc(-c3cc4ccccc4oc3=O)cs2)CCS1 68588851 QNLPGUXHLTVCHZ-ZDUSSCGKSA-N 357.500 5.306 0 1 FKAF biogenic CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c2c1c(C)c1nc([C@@H](C)O)oc31 72122705 QWRZRUWNANXFQJ-UQFXTHDASA-N 353.506 6.260 0 1 FKAF c1ccc(-c2nccn2Cc2coc(-c3cccc4ccccc34)n2)cc1 72180077 UOYHRAGCCDNKDX-UHFFFAOYSA-N 351.409 5.407 0 1 FKAF Clc1ccc(C[C@@H]2Cc3ccccc3[C@H]2N2CCCCC2)c(Cl)c1 82150691 YIRNFGGDEBTYRM-UWJYYQICSA-N 360.328 5.935 0 1 FKAF Oc1nc(-c2ccccc2Cl)nc2c1oc1ccc(-c3ccccc3)cc12 84705923 MBTUCZBOCGASRD-UHFFFAOYSA-N 372.811 6.069 0 1 FKAF Cc1ccc(-c2cc([C@H]3[C@@H](c4ccc(C)cc4)C[C@@H]4CC[C@@H]3N4C)on2)cc1 101165915 IQNHMRJZPKQKFD-UPPNCUKMSA-N 372.512 5.692 0 1 FKAF C/C(=C\c1c[nH]c2cc(C(C)C)ccc12)C(=O)Nc1ccc(C(C)(C)C)cc1 103271146 AKIUWNKSHGKFKF-GHRIWEEISA-N 374.528 6.631 0 1 FKAF CCOC(=O)/C=C/c1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1 137946712 MKPHJXXMCBKSTI-LICLKQGHSA-N 362.469 5.735 0 1 FKAF in-vitro Cc1cc([C@H](C[C@@H](c2ccc(C(=O)O)cc2)c2ccccc2C)N=O)ccn1 169730217 GMZJHGZSQIVJEK-VXKWHMMOSA-N 374.440 5.426 0 1 FKAF COC(=O)/C(C)=C\CC/C(C)=C/CC[C@]1(C)CCc2c(C)cc(O)cc2O1 238767781 BPXVQJXAZDTYFP-IYMLSCDFSA-N 372.505 5.410 0 1 FKAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C 253850973 HUBQDSPJUPTEJO-PRIYMHJNSA-N 355.566 5.646 0 1 FKAF O=c1cc(/C=C/c2cccnc2)occ1Oc1c(Cl)cccc1Cl 473114369 NEWVMRIJDBEQET-VOTSOKGWSA-N 360.196 5.304 0 1 FKAF CCCCC1CCC(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC1 586888365 IRXNYROLTHJMNA-UHFFFAOYSA-N 374.834 6.579 0 1 FKAF Cc1oc2c(c1-c1nc3cc(Br)c(C)c(C)c3[nH]1)C(=O)CCC2 586903620 LXZZMBPUHRDHQH-UHFFFAOYSA-N 373.250 5.030 0 1 FKAF Cc1ccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586990747 GJRYSLAKABPFIJ-UHFFFAOYSA-N 351.405 5.051 0 1 FKAF Clc1ccccc1-c1ccc(Cc2nc3ccc4c(c3[nH]2)CCCC4)cc1 587063428 VBFIJMMZXQLRGM-UHFFFAOYSA-N 372.899 6.353 0 1 FKAF Cc1ccc2c3c(cc(C(C)(C)c4ccccc4)nc13)-c1ccccc1C2=O 587099915 XNPDPMLMZLDPHO-UHFFFAOYSA-N 363.460 6.081 0 1 FKAF FC(F)(F)c1cncc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587115249 KJGKBPDXJBMNTJ-UHFFFAOYSA-N 355.319 5.436 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(C)C)(c1ccc(Cl)cc1)O2 587379037 RGBOZSWNHOYXJU-OAQYLSRUSA-N 357.881 5.528 0 1 FKAF Cc1cc(C)cc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587407121 XIGJCEYBYVULRX-HSZRJFAPSA-N 357.453 5.568 0 1 FKAF CCCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1Cl 587462198 NLMGMIZWSRMEJT-HXUWFJFHSA-N 374.864 5.493 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(Oc3ccccc3)c1)CC2=O 587477698 IIBLAIAFSRHWOT-HSZRJFAPSA-N 374.436 5.844 0 1 FKAF COc1cc(Cl)cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587504598 XDNRGYQUONBXDZ-NRFANRHFSA-N 356.849 5.108 0 1 FKAF O=C1C[C@](CCc2ccccc2)(C(F)F)Oc2c1ccc1c2CCCC1 587507370 PUEUXZFPFJICIZ-JOCHJYFZSA-N 356.412 5.167 0 1 FKAF Cc1cc(C)c2[nH]c(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587525443 NEWGCMZREDWJKR-NRFANRHFSA-N 359.469 5.678 0 1 FKAF FC(F)(F)c1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Cl 587781600 XKNKZSXBNFLRLQ-QPJJXVBHSA-N 366.770 5.465 0 1 FKAF CC(C)CC[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587813661 DLEFBGZJIJEOOK-XIKOKIGWSA-N 354.307 5.164 0 1 FKAF Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587816290 WAFKXVPEZRZOHD-YJYMSZOUSA-N 362.286 5.003 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)CC2)N1 587818657 SABZJLGAOFKGDM-ZUOKHONESA-N 372.281 5.195 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(C)(C)C[C@H]2C)N1 587822659 LUMODXDHFOJYSD-SEDUGSJDSA-N 354.307 5.164 0 1 FKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccco3)n2)cc1 587923511 UOPIXMFIPHOVEZ-UHFFFAOYSA-N 360.413 6.358 0 1 FKAF CCC(C)(C)[C@]1(c2ccc(C)cc2C)c2c(F)cccc2C[C@@H]2CCCN21 963097914 OBNCTKHZPQGMBX-CPJSRVTESA-N 365.536 6.143 0 1 FKAF CCN(CC)C(=O)Oc1[nH]c2ccccc2c1-c1cccc2ccccc12 1857647592 XSCBMZWRIJRWHT-UHFFFAOYSA-N 358.441 5.829 0 1 FKAF CC(C)=CCC=C(C)[C@@H]1CC=C(CO)CCC=C(C)CCC=C(C)CC1 2356632773 SCIBCHJAENBOSA-VWLOTQADSA-N 356.594 7.461 0 1 FKAF CC(=CCC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1)CCC=C(C)C(=O)O 2356738682 QSRURDPJEKTSFH-QHCPKHFHSA-N 372.505 5.630 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC1=CCOC1=O 2356808551 YXWKQRPDGJTUFA-UHFFFAOYSA-N 370.577 7.396 0 1 FKAF CCCCNC(=O)[C@]1(C)CCCCN1Cc1ccccc1-c1ccccc1 61905302 PVDVAAVHEIHLJO-DEOSSOPVSA-N 364.533 5.015 0 3 FKAF Clc1cccc(CNc2ccn3nc(-c4ccccc4Cl)cc3n2)c1 61906303 FSDKBRMDZJGTSK-UHFFFAOYSA-N 369.255 5.315 0 3 FKAF Brc1ccc2nc(-c3ccco3)c(Cc3ccsc3)n2c1 95568713 MPFSIFRPGZMJHH-UHFFFAOYSA-N 359.248 5.009 0 3 FKAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCCC 4213798 QLTXZZHSWNEIAT-RTWAWAEBSA-N 374.525 5.016 0 1 FKAF Cc1ccc(C(c2ccc(C)o2)c2cc(Br)cc(C)c2O)o1 5547661 PUZZITXLWSNODI-UHFFFAOYSA-N 361.235 5.446 0 1 FKAF biogenic COc1ccc(-c2cc(-c3ccncc3)nc(N)c2-c2ccc(F)cc2)cc1 13220609 GEFHLMWQANYTHR-UHFFFAOYSA-N 371.415 5.208 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1cccs1)[C@@H]2O 13681727 IYTGJWGHMKHFSL-UUWSFPMNSA-N 366.526 5.364 0 1 FKAF O=C(CC1CCN(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 13729900 NBVKYCVNARXEHZ-UHFFFAOYSA-N 369.508 5.839 0 1 FKAF CC(C)C[C@@H](SC1CCCCC1)c1c(O)cc(-c2ccccc2)oc1=O 13740580 WSMLOMCZUGUJEP-HXUWFJFHSA-N 372.530 6.166 0 1 FKAF Cc1cc(C)c(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 26387815 CRIIESGQQIOAON-UHFFFAOYSA-N 358.485 5.846 0 1 FKAF CC1(C)CCC(C)(C)c2cc([C@H](O)c3cccc(/C=C/C(=O)O)c3)ccc21 26723325 PUGLQZHDZGVGSG-YVWYTEFXSA-N 364.485 5.215 0 1 FKAF CCc1ccccc1[C@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708194 KGIQHUIJGWLRHH-VWLOTQADSA-N 371.524 5.322 0 1 FKAF CCCCCCC1=C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 36441612 IAIPYQCHIOENDT-UFYKXHCUSA-N 368.561 6.204 0 1 FKAF C[C@H]1C[C@H](NCc2coc(-c3ccc(-c4ccccc4)cc3)n2)CC(C)(C)C1 72180468 GQDUWEFODKVNOL-AVRDEDQJSA-N 374.528 6.313 0 1 FKAF CCCCCCc1cn([C@H](C)c2ccc3sc4ccccc4c3c2)nn1 84671532 BKOJITXYEKIXDQ-MRXNPFEDSA-N 363.530 6.378 0 1 FKAF COc1ccc(-c2nc(SC)sc2-c2ccccc2)c(OC)c1OC 103248694 OMDRLYQUMVYFNB-UHFFFAOYSA-N 373.499 5.225 0 1 FKAF CCCCSc1nc([C@@H](CC)c2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352232 NQNSUKONKIZVTL-LBPRGKRZSA-N 368.905 5.305 0 1 FKAF C[C@H](Oc1ccc(Cl)c(Cl)c1)c1nnc(Nc2ccc(F)cc2)o1 169702771 MPJAVEPDLMYJRR-VIFPVBQESA-N 368.195 5.399 0 1 FKAF C[C@H](N=O)c1cccc(C(C)(C)NC(=O)Nc2ccc3ccccc3c2)c1 169728270 UBMMYVRXOOUOJB-HNNXBMFYSA-N 361.445 5.724 0 1 FKAF CC(C)N(CC[C@H](O)c1ccc2ccccc2c1)Cc1cc(F)cc(F)c1 200626870 ZVTPWGRFMFEXGM-QHCPKHFHSA-N 369.455 5.452 0 1 FKAF Cc1cc2c(cc1-c1ccc(NCc3ccccc3F)nc1)OC(F)(F)O2 207720743 WUNPDOLKYDVBIY-UHFFFAOYSA-N 372.346 5.130 0 1 FKAF Cc1cccc(OCCn2c(=S)[nH]c3ccc(C(F)(F)F)cc32)c1 211568800 RORCOEZRDICAOO-UHFFFAOYSA-N 352.381 5.105 0 1 FKAF CCc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2c1 586878246 AWEISEWIYBJMNH-UHFFFAOYSA-N 356.425 5.466 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(F)c(F)c4)nc13)-c1ccccc1C2=O 586997556 YZWFOVDKQWLRDK-UHFFFAOYSA-N 357.359 5.700 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Cl)cc(Cl)c2[nH]1 587010759 AXYJXOFMHXQZPZ-UHFFFAOYSA-N 374.296 5.892 0 1 FKAF Cc1nc(C2CC2)sc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587012119 OJQIBHHHGOOETA-UHFFFAOYSA-N 373.787 5.424 0 1 FKAF Cc1cc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1F 587072319 YKZDMNVNWNNSFG-UHFFFAOYSA-N 366.823 5.910 0 1 FKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(C)cnc4[nH]3)cc2F)c1 587143682 WDOBJDJEPRTVBG-UHFFFAOYSA-N 367.811 5.401 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(Br)c(F)cc2[nH]1 587155594 MQCIFNJVSUKTMO-CQSZACIVSA-N 367.193 5.134 0 1 FKAF Fc1ccc2[nH]cc(Cc3nc4cccc(OCc5ccccc5)c4[nH]3)c2c1 587175104 PYCUKQOPBFYANJ-UHFFFAOYSA-N 371.415 5.353 0 1 FKAF Cc1cc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C 587207274 PZTQRTCADGKHJO-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF Nc1c(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccc2ccccc12 587253607 DKTFAQJLLVUJKY-UHFFFAOYSA-N 372.653 5.381 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(CC/C=C(/C)CCC=C(C)C)[C@@H](C2)C3=O 587446517 YFGXKSZBDIBYDH-JSWUAYAASA-N 354.490 5.674 0 1 FKAF CC(C)[C@@]1(c2ccc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587503289 GCHSZIRBYJSLRF-JOCHJYFZSA-N 372.867 5.875 0 1 FKAF CC(=O)n1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515991 QCOLMVLGXGKFLO-DEOSSOPVSA-N 373.452 5.061 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccccc2Cl)N1 587692576 BIQUFESAVXFJJJ-BMLIUANNSA-N 368.677 5.060 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C3CC3)c2)N1 587816507 ZBFCYUYFGLGNTE-FKIZINRSSA-N 374.297 5.263 0 1 FKAF Cc1ccccc1C1CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587817305 JTUVSXBRKLUBPG-JUJQQSPASA-N 374.297 5.204 0 1 FKAF CCC1(C)CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587820139 YEDDCUMZOQJHFQ-RGZNSWCXSA-N 354.307 5.308 0 1 FKAF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 587827565 KMCFICSDIFZBDE-MLCYQJTMSA-N 374.253 5.266 0 1 FKAF c1ccc(-c2cccc3c2C2(C[C@@H]4CCC[C@H](C2)N4CC2CC2)NCC3)cc1 962673448 YQXBQVKNUBGMQB-XZQOPNAISA-N 372.556 5.122 0 1 FKAF CC(C)=CCC=C(C)[C@@H]1CC=C(C)CCC=C(CO)CCC=C(C)CC1 2356719981 MXTBBBIZYLWNIV-VWLOTQADSA-N 356.594 7.461 0 1 FKAF COC(=O)C[C@]12CCCC(C)(C)[C@H]1CCc1cc(C(C)C)c(OC)c(O)c12 2356767104 PEMXBDYXGOJWNI-UZUQRXQVSA-N 374.521 5.098 0 1 FKAF Cc1cc([C@@H](O)c2nc(-c3ccc(Oc4ccccc4)cc3)c[nH]2)ccc1F 61906541 OPYAAUDCPSWEAP-JOCHJYFZSA-N 374.415 5.398 0 3 FKAF CCCN(CC1CC1)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cccc12 2006260 XISLMRFZWRPSLA-UHFFFAOYSA-N 372.556 6.762 0 1 FKAF COc1ccc2c(Cc3cccc(Cl)c3)ccc([C@H](C)C(=O)O)c2c1 26652650 IGWCDVMVVLJUGA-ZDUSSCGKSA-N 354.833 5.281 0 1 FKAF CC1=CC[C@H]2[C@H](C1)c1c(O)cc([C@H](C)[C@H](C)C3CCCC3)cc1OC2(C)C 26671963 USDMFBBEDJJVQK-JWWGGVBKSA-N 368.561 6.933 0 1 FKAF O=C(O)[C@@H](CCC/C=C(\c1ccccc1)c1cccnc1)Cc1ccccc1 26737301 KAVOZZRQMUUEPE-OLCUMFGGSA-N 371.480 5.627 0 1 FKAF C[C@]12CC=C3[C@@H](CCC4=C(SCCl)C(=O)CC[C@]34C)[C@H]1CCC2=O 29342392 IJJJTAZQYVCQBF-BGXQRSTCSA-N 364.938 5.265 0 1 FKAF C[C@@H]1CN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)[C@H](C)CN1C 36093073 VPBCZFXEYITWLJ-UJECILHKSA-N 372.915 5.080 0 1 FKAF Cc1cccc(CNc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)c1C 63539760 PWIKZIKRKUUHRB-UHFFFAOYSA-N 362.864 5.507 0 1 FKAF Cc1cc([C@@H]2[C@H]3CC[C@@H](C[C@H]2c2ccc(Cl)c(Cl)c2)S3)on1 66111514 JHGFPQGHZNDWJN-IYVPYFHTSA-N 354.302 5.825 0 1 FKAF O=C1CCCC[C@H]1[C@H](Nc1cccc2ccccc12)c1cc2ccccc2o1 66262115 HGKWHIVQQLOUTG-NLFFAJNJSA-N 369.464 6.499 0 1 FKAF CCCC[C@@H](CC)COC(=O)NC(CC)(C(F)(F)F)C(F)(F)F 68573234 UNGGUDVTYJQGPU-SNVBAGLBSA-N 351.331 5.202 0 1 FKAF biogenic C[C@H](Cn1ncc2c(Nc3cccc(Cl)c3)ncnc21)c1ccccc1 71316461 XFCBZNMZGGDLOU-CQSZACIVSA-N 363.852 5.027 0 1 FKAF O=C(COc1ccccc1-c1cncc2ccccc12)c1ccc(Cl)nc1 73168525 RLTODLLIKLXRBF-UHFFFAOYSA-N 374.827 5.212 0 1 FKAF O=C(O)c1ccc2c(c1)nc(Nc1cc(Cl)ccc1F)c1ccsc12 167762663 QCDQNLULBZUZJN-UHFFFAOYSA-N 372.808 5.684 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)cc2)o1 586903982 WLXRSCRLWSZKOT-UHFFFAOYSA-N 360.310 5.956 0 1 FKAF CC[C@H]1OCCC[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586912425 OMUZJEXRCZCYHT-RDTXWAMCSA-N 363.486 5.512 0 1 FKAF Cc1cccc(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990715 FLFHSZZKBYMSRI-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF Cc1c(-c2ccc(F)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586996003 ONFOXDJLDJXJRM-UHFFFAOYSA-N 353.396 5.869 0 1 FKAF Fc1cc2[nH]c(-c3cccc(-c4ccsc4)c3)nc2cc1Br 587025428 KUCKAODFNMRSHT-UHFFFAOYSA-N 373.250 5.860 0 1 FKAF Cc1cccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587070096 FZXSGCVRHHQJID-WKIFUANRSA-N 371.311 6.544 0 1 FKAF FC(F)(F)Oc1cccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587084569 CKPARCKAUZJAAZ-UHFFFAOYSA-N 363.726 5.330 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(C(=O)O)cc4)nc13)-c1ccccc1C2=O 587100706 FHGHGCWGHKXGBV-UHFFFAOYSA-N 365.388 5.120 0 1 FKAF Fc1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1F 587129561 XUPLQIDHNXQDEO-UHFFFAOYSA-N 363.339 5.569 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3ccc(Cl)cc3)n1)O2 587415112 WYLZCSRDQQFCPH-QGZVFWFLSA-N 370.861 5.061 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)o1)(C1CCCC1)CC2=O 587479866 JSDMNLHSPZACJW-QFIPXVFZSA-N 354.446 5.297 0 1 FKAF C[C@@]1(c2cc(Cl)cc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504424 WJTODZJVJJWOFH-FQEVSTJZSA-N 361.268 5.753 0 1 FKAF CCCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601743 GVXBRKKFMWQADE-URXFXBBRSA-N 374.436 5.222 0 1 FKAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587813166 BRESGYDUVXCLEV-BFUOFWGJSA-N 362.286 5.003 0 1 FKAF C[C@H]1c2ccccc2CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587819228 UKKVTPNALFUIOZ-UVARLRKDSA-N 374.297 5.068 0 1 FKAF COc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1C 587951411 ZPIOZCYQYWTHAS-OUKQBFOZSA-N 356.425 5.843 0 1 FKAF C[C@]1(C2(c3ccccc3)CCCC2)NCCc2cccc(-c3ccccc3)c21 962673649 ZJMISCFWSYVKEV-SANMLTNESA-N 367.536 6.227 0 1 FKAF CN(C/C=C/c1ccc(C(F)(F)F)c(F)c1)Cc1coc2ccccc12 1772637716 CRFROTGVPYEIFS-SNAWJCMRSA-N 363.354 5.736 0 1 FKAF CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(-c3ccccc3)cc2)cc1 1857761775 XSJKEHLSQAPFRT-QGOAFFKASA-N 369.508 5.981 0 1 FKAF CC(=O)[C@@H]1CC[C@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@H]4CC3)CC[C@]12C 2356324616 KRGINONPUAFUGF-IZORYLLQSA-N 368.517 5.316 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CC[C@@]1(O)Oc2cccc(C)c2C1=O 2356512760 DATDTYFNUQUNEY-XMMPIXPASA-N 368.517 6.068 0 1 FKAF CCCCC=CCCCCCCCC(=O)CCCCc1ccc(O)cc1 2356556420 AHNNTEHYIRIWKP-UHFFFAOYSA-N 358.566 7.151 0 1 FKAF CCCC1CCC2(CC1)CC[C@@H]2OC(=S)Nc1ccc(Cl)cc1 205704443 RGVIKTLWFPFCNL-KGYZHSKHSA-N 351.943 6.193 0 3 FKAF CN(C(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)sc1C(=O)O 3648498 RYHAJFGPWHUPHK-UHFFFAOYSA-N 371.845 5.043 0 1 FKAF Fc1cccc(F)c1[C@@H]1SCc2nc3cc(Cl)c(Cl)cc3n21 13222657 UNWMWGMVLBGSJO-HNNXBMFYSA-N 357.212 5.415 0 1 FKAF COc1ccc(-c2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 29129983 XBFBQAVGQAEXQM-UHFFFAOYSA-N 353.636 5.132 0 1 FKAF COc1cc(/C=C/Cc2cc(OC)c3ccccc3c2)cc(OC)c1OC 40565312 ZEZCYUIBOGJHJP-VQHVLOKHSA-N 364.441 5.130 0 1 FKAF C[C@]1(C(=O)O)CCC[C@]2(C)c3cc(OCc4ccccc4)ccc3CC[C@@H]12 40829325 GCOHVGCNKUNLJF-JRFVFWCSSA-N 364.485 5.361 0 1 FKAF Cc1ccc(C2c3c(Cl)cccc3C(=O)c3cccc(Cl)c32)cc1 64448668 UPGMNIWVYOKZII-UHFFFAOYSA-N 353.248 6.026 0 1 FKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4)c(F)c3)c12 95582365 NYZYXHOIZDRDCM-UHFFFAOYSA-N 374.419 5.177 0 1 FKAF Cc1ccc(Oc2ccc(-c3nc(C4CCC4)n4ccnc(N)c34)cc2)cc1 95585618 JBCMMHOLMWQWMP-UHFFFAOYSA-N 370.456 5.347 0 1 FKAF Fc1cc(F)c(Cl)c(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1Cl 95592337 IJNSXDVGJQEXPC-BDJLRTHQSA-N 358.215 5.001 0 1 FKAF Cc1cccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2c2nc(O)cs2)c1 169728186 SLPGHOAUNUJDNQ-IBGZPJMESA-N 363.486 5.130 0 1 FKAF C1=C[C@@H]2CCCC[C@H]2[C@@H]2CNCCCNCC/C=C\CCCCC/C=C/[C@H]12 473125818 YMEPYIIXGBBSMO-XSGHGYHMSA-N 370.625 5.631 0 1 FKAF O=C(O)c1ccccc1/C=C\c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586879265 KJPDVXZHHVBOPH-WAYWQWQTSA-N 366.726 5.104 0 1 FKAF CC[C@@]1(C)C[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586892058 SYHCIPUBFHJIHQ-SDBXPKJASA-N 363.177 5.128 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 586899038 RKRZORUMUPTEGU-UHFFFAOYSA-N 354.331 5.621 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](C1CCCC1)CC3 586992420 WFSWJQNLQYMJKU-AWEZNQCLSA-N 355.437 5.372 0 1 FKAF COc1cc(/C=C/c2nc3cccc(C)c3[nH]2)cc(Cl)c1OCC(C)C 587047211 UDJKMASULMCISI-CMDGGOBGSA-N 370.880 5.739 0 1 FKAF COc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587048022 FNIPUAOBXYBMAY-BDAKNGLRSA-N 367.663 5.803 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(Br)cc2[nH]1 587061122 AVJLLZGUKPWBIV-CQSZACIVSA-N 365.658 5.509 0 1 FKAF Clc1ccc(CC/C(=C\c2nc3cncnc3[nH]2)c2ccccc2)cc1 587073223 HFLGWZLVHZRXJO-SFQUDFHCSA-N 360.848 5.180 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(C(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O 587441011 DNAVDGFGQMSWGN-NBGIEHNGSA-N 370.448 5.033 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(C3CCCC3)c1C)CC2=O 587471169 OKOSASWHRULLGN-JOCHJYFZSA-N 367.489 5.585 0 1 FKAF O=C1C[C@H](c2cnc(-c3ccccc3)s2)Oc2c1ccc1c2CCCC1 587536646 YLRONYYZDIENAR-LJQANCHMSA-N 361.466 5.395 0 1 FKAF C[C@H](CC1CCCCC1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602990 MBFSRLFSDRHVPB-XLHILCRZSA-N 366.457 5.329 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1-c1ccc(F)cc1Br 587624868 VRAQTEXVPGDFEY-UHFFFAOYSA-N 352.634 6.007 0 1 FKAF CC(C)c1c(-c2cccc(Br)c2)[nH]c2cc(Cl)c(F)cc12 587628320 KFRWEIPSWJVYMB-UHFFFAOYSA-N 366.661 6.513 0 1 FKAF C/C(=C\c1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587817413 BVLWSMRKQOFGER-FVYVFZTBSA-N 360.270 5.267 0 1 FKAF CC(C)[C@@]1(C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587817585 CTSDMFILKJHPLZ-YJYMSZOUSA-N 368.334 5.554 0 1 FKAF Fc1ccc(-c2csc(-c3ccc(Br)cc3F)n2)cc1F 587922409 OVZSCSINCRWOCV-UHFFFAOYSA-N 370.193 5.657 0 1 FKAF Brc1nccc2nc(/C=C/c3cccc4ccccc34)[nH]c12 587966756 CXQSUHNBJHUJHZ-CMDGGOBGSA-N 350.219 5.044 0 1 FKAF Cc1cc2ncn(CCCCn3c4ccccc4c4ccccc43)c2cc1C 1857570448 KBSWRMBXJNFZON-UHFFFAOYSA-N 367.496 6.241 0 1 FKAF CC(C)C=C[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356495020 BKWBRNDZAJHCMT-PXWLGMLSSA-N 370.621 6.775 0 1 FKAF COC1=CC2=NC1=Cc1ccc([nH]1)CCCCCCC[C@@H](C)c1ccc2[nH]1 2356698262 OSVAYRLEBVNTTC-MRXNPFEDSA-N 363.505 5.717 0 1 FKAF CC(C)=CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356701197 XSHOQEAJWUFKPE-IFXNPRIJSA-N 370.621 6.919 0 1 FKAF SC1=NC[C@H](CC2CCCCC2)N1CCc1cccc2ccccc12 15952542 CLASAYRVNJFDTB-FQEVSTJZSA-N 352.547 5.323 0 3 FKAF O=C(NCc1ccc(F)cc1)c1cc2c(s1)-c1ccccc1SC2 5141727 BTQBWTNOWWRTFJ-UHFFFAOYSA-N 355.459 5.090 0 1 FKAF aggregator Clc1ccccc1C1=NN(c2ccccc2)[C@@H]2c3ccccc3OC[C@H]12 5823907 QXZYQONISJXTPA-XMSQKQJNSA-N 360.844 5.314 0 1 FKAF CC(C)(C)OCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@H]21 13610551 OREHEHBDBIRYRU-KOZSAJOLSA-N 372.549 5.041 0 1 FKAF O=C(O)c1ccccc1Nc1ccc(CCCc2cccc(Cl)c2)cc1 40420790 JGMFZJQSBYICLJ-UHFFFAOYSA-N 365.860 5.957 0 1 FKAF CCC(=O)Nc1cc(/C=C/c2ccccc2)nc(/C=C/c2ccccc2)n1 66100171 MEVNUZRYNDETJH-WXUKJITCSA-N 355.441 5.166 0 1 FKAF O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1ccc(Cl)cc1Cl 72102229 JOIXDSPLNONJOO-SFHVURJKSA-N 364.659 5.326 0 1 FKAF CCCCCC[C@@H](C)NCc1coc(-c2ccccc2Br)n1 72103900 XVUWPLGEVFXFKU-CQSZACIVSA-N 365.315 5.553 0 1 FKAF O[C@H](CCc1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccccc1 87722480 RTHVBUZQNCNXHS-HSZRJFAPSA-N 368.480 5.211 0 1 FKAF CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(C(C)(C)C)cc1 95591173 WIPCLQSLBBGJGI-ODLFYWEKSA-N 350.433 5.926 0 1 FKAF CCCCOc1ccc2c3ccnc(C)c3n(CCCc3ccccc3)c2c1 95596234 XPBXSBBDXOITGD-UHFFFAOYSA-N 372.512 6.310 0 1 FKAF COc1ccc([C@@H]2c3cc(Cl)ccc3N[C@H](c3ccccc3)[C@H]2C)cc1 96913184 DCTUVBWTDIKCOW-BJQRDSPESA-N 363.888 6.283 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccccn2)C[C@H](c2ccccc2)C1 102563690 XVGNNWYEOHOOTA-BXKMTCNYSA-N 367.452 5.711 0 1 FKAF Cc1ccccc1-c1ccc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc1C 118842006 ZBRIGHQPOGLLIS-UHFFFAOYSA-N 366.424 5.564 0 1 FKAF COC1=CC2=N/C1=C/c1ccc([nH]1)CCCC/C=C/CCCc1ccc2o1 135984217 HJMNUBVHAOYKGT-TXKIYPADSA-N 362.473 5.587 0 1 FKAF Cc1cc([C@@H](C[C@@H](c2ccc(C(=O)O)cc2)c2ccccc2C)N=O)ccn1 169730216 GMZJHGZSQIVJEK-FCHUYYIVSA-N 374.440 5.426 0 1 FKAF Cc1csc(-c2ccc(C(=O)N[C@@H](C)c3ccc4ccccc4c3)cn2)c1 209593506 IFDDMYSYOAGMJB-INIZCTEOSA-N 372.493 5.763 0 1 FKAF C/C(=C/Cc1c[nH]c2ccccc12)CC/C=C(/C)CC[C@H](O)C(C)(C)O 238786614 UETBQCBTOMNFHW-WEKLFRCXSA-N 355.522 5.295 0 1 FKAF CCc1c(C(=O)NCCc2cccc(Cl)c2)[nH]c2ccc(Cl)cc12 299860584 GUOFMFIPVUTGED-UHFFFAOYSA-N 361.272 5.010 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1ccc(F)cc1CC4)-c1ccccc1C2=O 586995112 ILYPEIMTFUVXEE-UHFFFAOYSA-N 365.407 5.659 0 1 FKAF Cc1c(-c2cccc(N)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586997720 WJNJZJLXWIFVPG-UHFFFAOYSA-N 350.421 5.312 0 1 FKAF Cc1nc2cccc3c2c(c1Cc1c[nH]c2ccccc12)-c1ccccc1C3=O 587107243 QCKNKGYPEZAETB-UHFFFAOYSA-N 374.443 5.827 0 1 FKAF Fc1ccc(/C=C(\c2nc3cc(Cl)ncc3[nH]2)c2cccs2)cc1 587164262 OYULHQHLSYRTKR-JYRVWZFOSA-N 355.825 5.401 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@](C)(C(C)C)C3)c1 587364683 AJWTXWKSFHEIAS-RUZDIDTESA-N 371.480 6.418 0 1 FKAF COc1cccc(-c2cc(CC3CCCC3)nc3c2oc2ccccc23)c1 587366119 SAZHRCZWBYDXEV-UHFFFAOYSA-N 357.453 6.389 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@@H]3C2CC2)c1 587366356 LFHODWKDVIRGOD-GOSISDBHSA-N 369.464 6.487 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)c3ccccc13)O2 587390740 NRRGSHKIWDXPTD-QHCPKHFHSA-N 368.436 5.228 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3cc(C)ccc3C)cs1)O2 587413472 OKXNDKJIZRDPCN-LJQANCHMSA-N 364.470 5.024 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1ccc(C)cc1)[C@@H](C2)C3=O 587444593 VZOWMQLXXGVDRS-CYFREDJKSA-N 372.420 5.285 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(CC/C=C(/C)CCC=C(C)C)[C@@H](C2)C3=O 587446516 YFGXKSZBDIBYDH-IBXKAYHZSA-N 354.490 5.674 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3ccnc(Cl)c3c1)CC2=O 587459706 FROAVHUKGNLYDQ-IBGZPJMESA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(C)C)c2ccccc21 587484533 SRBOUBYXKMYWPQ-JPYJTQIMSA-N 350.458 5.349 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3cccs3)s1)CC2=O 587493771 GPZWZTUWJIBQFO-HNNXBMFYSA-N 371.483 5.236 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1sc3scc(C)c3c1C)CC2=O 587497608 XJRQNFYRQUZBCN-MRXNPFEDSA-N 372.511 5.944 0 1 FKAF O=C1C[C@H](c2cccnc2-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587505262 IARZIINTMPRCKN-JOCHJYFZSA-N 373.427 5.473 0 1 FKAF O=C1C[C@H](c2sc3ccccc3c2Cl)Oc2c1ccc1c2CCCC1 587536178 SZZCCMCKKGUHBV-QGZVFWFLSA-N 368.885 6.140 0 1 FKAF CC(C)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587604435 WRZQARACCKQCPG-QPPBQGQZSA-N 374.436 5.393 0 1 FKAF Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587699856 XWEICHYNSFFOES-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF CC(C)[C@@H]1CCC[C@@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587819253 UUBRZRVRXCIPFV-LPMFXHHGSA-N 368.334 5.554 0 1 FKAF Cc1ccccc1[C@@]1(c2ccc(Cl)cc2)NCCc2cc(Cl)ccc21 963391210 QFULMFFKNMOXEX-JOCHJYFZSA-N 368.307 5.739 0 1 FKAF Cc1cc(Nc2cc(Cl)cc(-c3cc4ccccc4s3)c2)nc(N)n1 1772616611 BHHHJZPZQFREGK-UHFFFAOYSA-N 366.877 5.646 0 1 FKAF Oc1ccc2c(c1)-c1nc(-c3ccccc3)cc(-c3ccccc3O)c1C2 1857566396 KWCOLTVFIGXEJD-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF COc1ccc(N(C)c2cc3oc(-c4ccco4)nc3c3ccccc23)cc1 1857745832 JKTLDUZYABWERD-UHFFFAOYSA-N 370.408 6.018 0 1 FKAF CC(C)Nc1nc(-c2ccccc2F)c2sc(-c3ccccc3)cc2n1 61905504 LXUOQBCZGZATKG-UHFFFAOYSA-N 363.461 5.985 0 3 FKAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774840 JIULEQWAUNKOLR-GFCCVEGCSA-N 358.825 5.029 0 1 FKAF CCN(C(=O)c1oc(=O)c2ccccc2c1-c1ccccc1)c1ccccc1 2939982 MPNAQLXKLWVOFQ-UHFFFAOYSA-N 369.420 5.127 0 1 FKAF CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(C)c(F)c1 4562957 VYRPMIWQOMEVSQ-UHFFFAOYSA-N 368.408 5.001 0 1 FKAF CCN(Cc1ccccc1)C(=O)c1cc2cc3ccc(C)cc3nc2s1 4886150 LFFJITJDBTXABK-UHFFFAOYSA-N 360.482 5.420 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@H]1CCC2=O 9212653 HKUKRSLIEVXDMS-FFHOAYQKSA-N 374.480 5.331 0 1 FKAF biogenic CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(Br)cc1-3 13490452 OFRWAMYYBARBJR-UHFFFAOYSA-N 374.253 5.755 0 1 FKAF CO[C@]1(c2cccc(OCc3ccc4ccccc4c3)c2)CCCOCC1 13725378 CFFDUDQFUWAZDZ-XMMPIXPASA-N 362.469 5.461 0 1 FKAF COc1ccc2c(Cc3ccccc3Cl)ccc([C@@H](C)C(=O)O)c2c1 26641175 VCKVNCFWRSDZRL-CYBMUJFWSA-N 354.833 5.281 0 1 FKAF CN1Cc2cc(N3CCCCC3)ccc2[C@@H](c2cc3ccccc3s2)C1 35876764 ULLMROULDBOCOZ-NRFANRHFSA-N 362.542 5.469 0 1 FKAF COc1ccc(Cn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)cc1 40874422 GXZPCEUXWVLCPQ-UHFFFAOYSA-N 359.425 5.085 0 1 FKAF Nc1nc(-c2ccccc2Cl)cc(-c2ccc(Cl)cc2Cl)n1 71977296 ZMWJJRKYMQJYCG-UHFFFAOYSA-N 350.636 5.353 0 1 FKAF Oc1ccc(-c2nc(CN(Cc3ccccc3)c3ccccc3)co2)cc1 72186553 HHHAICUBUPJYEC-UHFFFAOYSA-N 356.425 5.254 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CCC[C@@]43C)[C@@H]1CC=C2n1ccnc1 144221887 CLMTWSHTNIXTLF-CWMMHYCISA-N 350.506 5.256 0 1 FKAF CC/C=C\C/C=C\C/C=C\C=C/C/C=C/C/C=C\CCC(=O)NCCO 169345850 IKTSAEAKQWDQDU-QFFBTGJJSA-N 357.538 5.183 0 1 FKAF CN(C(=N)Nc1cccc2ccccc12)c1ccc(F)c(Br)c1 299839296 SDPVZAUQOXGRTN-UHFFFAOYSA-N 372.241 5.224 0 1 FKAF Brc1nc(-c2nc3cc4ccccc4cc3[nH]2)c(C2CC2)s1 587013266 QYKZXGDPABHWBM-UHFFFAOYSA-N 370.275 5.480 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(F)(F)F)cc2[nH]1 587062810 WLZJXBRBCRHITP-AWEZNQCLSA-N 354.759 5.765 0 1 FKAF Clc1ccccc1-c1ccc(Cc2nc3ccnc(Cl)c3[nH]2)cc1 587063023 LFNDIYVYSDAOEY-UHFFFAOYSA-N 354.240 5.523 0 1 FKAF COc1ccccc1Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096723 GPFZIBGCYXOLHJ-UHFFFAOYSA-N 365.432 5.354 0 1 FKAF CCc1c(-c2cccs2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101872 IUPRZIBUNJXUGR-UHFFFAOYSA-N 355.462 6.046 0 1 FKAF COc1c(F)cccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104549 YLJGTOPHZABGIF-UHFFFAOYSA-N 355.368 5.261 0 1 FKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccc(Cl)cc2[nH]1 587128779 QKEIUMVUGOGNNC-UHFFFAOYSA-N 361.804 5.944 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587161757 CKFYMSZLNYOTBO-RTBURBONSA-N 360.457 6.124 0 1 FKAF Fc1ccc(Br)c(Cl)c1-c1cc2c3c(cccc3n1)CC2 587210057 CLKFIVBPQBXQST-UHFFFAOYSA-N 362.629 5.555 0 1 FKAF CCC[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587375227 KOHRWQCNFXANPB-LJQANCHMSA-N 364.272 5.545 0 1 FKAF Cc1ccc(-c2cncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587515445 NWRRSEJBRXRFED-DEOSSOPVSA-N 369.464 5.642 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2C(F)F)N1 587713515 DKUJHQPACJPJQY-XXFAHNHDSA-N 370.212 5.149 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccsc2)N1 587851163 BDICSNUJUFUVDU-APPDUMDISA-N 368.315 5.032 0 1 FKAF Fc1ccc(-c2csc(C(c3ccccc3)c3ccccc3)n2)cc1F 587922422 PUAXHHCVIQEBMW-UHFFFAOYSA-N 363.432 6.269 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccnc(Br)c2[nH]1 587951786 QZKYLNRIRBDFEV-NSHDSACASA-N 368.234 5.014 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587952708 VWZJANOKHSAXTB-HCKVZZMMSA-N 358.379 5.767 0 1 FKAF c1ccc(-c2cccc3c2[C@H](c2cncc(-c4cccs4)c2)NCC3)cc1 962659364 GHLAGTHEXANEFX-DEOSSOPVSA-N 368.505 5.712 0 1 FKAF C[C@H]1C[C@@H](C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)CC(C)(C)C1 1857649419 QXUOVFNBNKFRES-WDEREUQCSA-N 370.440 5.716 0 1 FKAF O=C(c1ccccc1Cl)c1sccc1-c1ccc(Cl)c(Cl)c1 1857775024 JKWKHVDAYNCGRQ-UHFFFAOYSA-N 367.684 6.606 0 1 FKAF CCCC=CC=CCCCCC=CC=CCCc1cc(OC)cc(=O)o1 2356676215 PZAYALWUASATCU-UHFFFAOYSA-N 356.506 6.166 0 1 FKAF Cc1ccccc1-c1cnc(Nc2ccc3c(-c4cnco4)c[nH]c3c2)o1 13819529 FUCGOYKROUYEAY-UHFFFAOYSA-N 356.385 5.530 0 1 FKAF CCCCCC[C@H](C)CCCCCCCCCCC[C@@H]1N[C@@H](CO)[C@@H]1O 14638470 MXSVVKSZJQKNBC-CWBXHPNXSA-N 369.634 5.578 0 1 FKAF biogenic CCc1cccc([C@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)c1 15205512 WKIDGENURXTGJK-QFIPXVFZSA-N 374.436 5.004 0 1 FKAF biogenic CC/C(=C(\Cc1ccccc1)c1ccccc1)c1ccc(OCN(C)C)cc1 26019413 IJRJBMLZSVQEGB-QPLCGJKRSA-N 371.524 6.148 0 1 FKAF Cc1ccc2cc(NC(=O)c3ccccc3COc3ccccc3)ccc2n1 27523900 DKDGPIKKYBKKQQ-UHFFFAOYSA-N 368.436 5.375 0 1 FKAF Cc1cc(-c2ccsc2)cn2c(CSCCc3ccccc3)cnc12 28877349 XFBNERZKFXWEGN-UHFFFAOYSA-N 364.539 5.847 0 1 FKAF COC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(F)(F)F)ccc3o2)c1 29240465 UFGQKCYKVGZBFQ-UHFFFAOYSA-N 370.714 5.345 0 1 FKAF C[C@@H]1CCCN1CCc1ccc2nc(-c3nc4ccccc4s3)ccc2c1 34612596 JUQKBZXPODCAKJ-MRXNPFEDSA-N 373.525 5.538 0 1 FKAF c1ccc(COc2ccc(COc3ccc(Cn4ccnc4)cc3)cc2)cc1 45228661 XWVMAAGEKLYTRL-UHFFFAOYSA-N 370.452 5.089 0 1 FKAF Clc1ccccc1-c1nc(CN2CCC(Cc3ccccc3)CC2)co1 72102684 OFEFTJVGDKGAJW-UHFFFAOYSA-N 366.892 5.450 0 1 FKAF Cc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)cnc3sc(C)cc23)cc1 103251783 PVSQXVKCMKXSQV-SFHVURJKSA-N 369.486 5.521 0 1 FKAF CC(C)=CCOc1cccc2c1-c1c(c3c(n1C(C)C)CCCC3=O)C2=O 299830306 IGWUYWFNHIJBBD-UHFFFAOYSA-N 363.457 5.144 0 1 FKAF CC(C)c1cc(-c2nc3cccc(Br)c3[nH]2)c(O)c(C(C)C)c1 586896243 KZOJBWQSSLJKPR-UHFFFAOYSA-N 373.294 5.945 0 1 FKAF Cc1cc(Cl)cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 586901407 UHZGNEXGJWORNJ-UHFFFAOYSA-N 366.804 5.176 0 1 FKAF CC(C)Cc1c(C(C)(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990916 IAMWPXUAVLXVRR-UHFFFAOYSA-N 359.469 5.648 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587068903 FRUSOHFKQXWOTH-MRVPVSSYSA-N 368.651 5.295 0 1 FKAF FC(F)(F)Sc1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587088325 XGHISBDTPNNPGA-UHFFFAOYSA-N 367.783 5.977 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CCCC[C@H]41)-c1ccccc1C2=O 587101441 SVBARHQCYBWYFX-HOTGVXAUSA-N 353.465 5.975 0 1 FKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587195787 NFIPFTTXNFSYQM-LLVKDONJSA-N 365.424 5.393 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(Cl)sc1C3 587208774 ZVKNBZGCFQSVCX-UHFFFAOYSA-N 359.837 5.732 0 1 FKAF O=C(Cc1c(-c2cccs2)nc2cccc3c2c1CC3)c1cccs1 587361602 WVGUHSZPHVTKOI-UHFFFAOYSA-N 361.491 5.549 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(C(F)(F)F)c1)CC2=O 587463641 ZDRBSDXOVSFCTK-QGZVFWFLSA-N 368.326 5.209 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](CCc1c(F)cccc1Cl)CC2=O 587465034 FFTCLTFTHQYNSN-GFCCVEGCSA-N 362.828 5.104 0 1 FKAF Nc1cccc2c1-c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587509656 IJRGCYUSLBRCJC-VWLOTQADSA-N 367.448 5.037 0 1 FKAF COc1ccccc1-n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510513 AQYNWCZWLIFGBH-QHCPKHFHSA-N 373.452 5.071 0 1 FKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccnc1 587512890 PLTUVGDYMDETKX-HSZRJFAPSA-N 372.468 5.074 0 1 FKAF Cc1ccc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 587522618 JIAMQKRDXHPSOZ-VWLOTQADSA-N 356.465 5.908 0 1 FKAF Cc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547182 LCESTTNWTHXQPK-GHTZIAJQSA-N 366.800 5.057 0 1 FKAF C[C@]1(c2coc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616861 MWBYISIAKRBWKG-NFBKMPQASA-N 372.376 5.015 0 1 FKAF Cc1c(-c2ccc(F)c(Br)c2)[nH]c2cc(Cl)c(F)cc12 587628942 BYCJHXDBRAAUHF-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF Cc1ccc2nc(C)c(Cc3c(C)[nH]c4cc(F)ccc34)c(Cl)c2c1 587634243 VVOHRWKFKYRQDP-UHFFFAOYSA-N 352.840 6.025 0 1 FKAF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587696032 PBJLCXUDIPGQCL-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587951897 JOUXXVZLMOEVTH-MMPTUQATSA-N 358.379 5.767 0 1 FKAF Clc1cccc(-c2cc(-c3ccc(-n4cccc4)cc3)on2)c1Cl 653803264 DWPZUGOQJKWNGW-UHFFFAOYSA-N 355.224 6.106 0 1 FKAF CC(C)(C)c1ccc([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)o1 962694724 DZCZJNZTHOELDJ-NYHFZMIOSA-N 373.537 5.343 0 1 FKAF CC(C)c1cc(O)ccc1[C@H]1c2ccsc2CCN1Cc1cccnc1 962993276 AOSPDMQMCFFGIU-QFIPXVFZSA-N 364.514 5.120 0 1 FKAF CN1CCc2c(Br)cccc2[C@]1(C)c1ccc2ccccc2c1 963289294 LTBCBKZOQSIPHS-NRFANRHFSA-N 366.302 5.354 0 1 FKAF Cc1nc(-c2ccccc2)oc1-c1csc(-c2cccc(Cl)c2)n1 1772655366 VMTXOVBXRMWKGN-UHFFFAOYSA-N 352.846 6.094 0 1 FKAF CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCO)c(O)c1 2382216627 VFPCWTNMPKPKGR-FBBABVLZSA-N 362.554 5.267 0 1 FKAF CCC[C@H]1CCCC/C=C\CCCC(=O)OCCN1C(=O)OC(C)(C)C 34650088 XSXBVWWVGPNFHH-POZKEBTKSA-N 367.530 5.236 0 3 FKAF Clc1ccc2c(c1)[C@@H]1[C@@H](CO2)C(c2ccccc2)=NN1c1ccccc1 5823919 USZXMYNZUVAVQH-SIKLNZKXSA-N 360.844 5.314 0 1 FKAF Cn1c(-c2ccc(C(=O)O)cc2)nc2cc3c(cc21)C(C)(C)CCC3(C)C 13651734 DRIHGLOZTBNGQX-UHFFFAOYSA-N 362.473 5.288 0 1 FKAF C[C@H](C(=O)OC(C)(C)C)c1ccc(-c2cc(Cl)cc(Cl)c2)c(F)c1 13672549 TVDXFZAFRUSAOI-NSHDSACASA-N 369.263 6.245 0 1 FKAF Nc1nc(Nc2ccc(Cl)cc2)cc(-c2cc(Cl)ccc2Cl)n1 26386164 MWQCKNWBCFBOGD-UHFFFAOYSA-N 365.651 5.430 0 1 FKAF CCOC(=O)c1ccc(NCCCCCCc2ccc(Cl)cc2)cc1 29205347 PTFIUGZADZOZTD-UHFFFAOYSA-N 359.897 5.732 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCNC(=O)CCO 38146530 FYLOWTBDBGDCHK-MLFLMRJSSA-N 361.570 5.631 0 1 FKAF CC[C@]1(c2cccc(Br)c2)ON=C(c2cccc(Cl)c2)O1 40423165 FTOLXOIOWVJQIX-MRXNPFEDSA-N 366.642 5.074 0 1 FKAF O=C(O)c1ccc(Cc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 43208556 VWLUYSDMQNWPCW-UHFFFAOYSA-N 363.360 5.118 0 1 FKAF Cc1cc(C2=C(c3ccc(Cl)c(Cl)c3)C[C@@H]3CC[C@H]2S3)on1 66099447 UCZOFGRNAPWDMW-MEDUHNTESA-N 352.286 5.869 0 1 FKAF O=C(CCCN1CCC(c2ccccc2)CC1)c1nc2ccccc2s1 84723103 IAMJESJLDAFTKX-UHFFFAOYSA-N 364.514 5.139 0 1 FKAF Cc1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 113654019 UFWMQKLUNMFTTL-UHFFFAOYSA-N 353.469 5.315 0 1 FKAF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118922784 ZKGCEXPUCJDWMB-YCELMGRWSA-N 374.565 5.715 0 1 FKAF biogenic C1=N\c2ccccc2OCCCOc2ccccc2/N=C\c2ccccc2/1 169299945 COFXJALIKPUDAR-YFJQDTPYSA-N 356.425 5.349 0 1 FKAF CCCCCc1oc(/C=C\CCCCCCCCC(=O)OC)c(C)c1C 238789311 RUCZWPKXLJSUKH-VKAVYKQESA-N 362.554 6.936 0 1 FKAF CCCCCn1cc2c(=O)n(CCC3CCCCC3)nc-2c2ccccc21 299862187 MPTQSKVDQGUFJB-UHFFFAOYSA-N 365.521 5.463 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(F)c(F)ccc4[nH]3)cc2)CC1 586881949 XYRLYLYPROJMJE-WKILWMFISA-N 368.471 6.972 0 1 FKAF O=C1CCC[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CC1 586888011 VWHMMAZUTFCKOY-ZDUSSCGKSA-N 361.470 5.456 0 1 FKAF CC[C@]1(C)C[C@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 586891554 RWRSEPGBGGWWRQ-KPZWWZAWSA-N 365.315 5.654 0 1 FKAF Cc1oc2c(c1-c1nc3ccc(OCc4ccccc4)cc3[nH]1)C(=O)CCC2 586903384 JQKHWAPVHQTUMU-UHFFFAOYSA-N 372.424 5.229 0 1 FKAF Fc1cccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587049886 NCAOGEUZDGVJFQ-UHFFFAOYSA-N 372.830 6.843 0 1 FKAF N[C@@H](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccccc1Cl 587055924 FWVMUJJCHNJNJL-SFHVURJKSA-N 363.848 5.251 0 1 FKAF Cc1cc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2cc1Cl 587065720 WJQAJUNACZABCK-UHFFFAOYSA-N 371.271 5.648 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c([nH]c2ccccc12)CC3 587106753 MQJVUFHHEINTOT-UHFFFAOYSA-N 372.427 5.693 0 1 FKAF Cc1ccc(/C=C/c2nc3cc(Br)cc(Cl)c3[nH]2)cc1F 587146817 XPQSMRFQGYYMSF-SNAWJCMRSA-N 365.633 5.597 0 1 FKAF Fc1cc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1C(F)(F)F 587151998 JJAQKLALKACQSO-RKDXNWHRSA-N 356.269 5.270 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccncc3)cc1)CC2=O 587488314 ITUKTKNRXSRISR-DEOSSOPVSA-N 373.452 5.287 0 1 FKAF O=C1C[C@]2(CCc3cc(Cl)cc(Cl)c32)Oc2c1ccc1c2CCCC1 587501438 SDYKGXVMUYIPRI-NRFANRHFSA-N 373.279 5.679 0 1 FKAF Cc1c(-c2cc(F)cc(Br)c2)[nH]c2c(C)cc(Cl)cc12 587624598 NTVXXWAIJDCETQ-UHFFFAOYSA-N 352.634 6.007 0 1 FKAF CC[C@]1(C)C=C[C@@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587818982 TZVHGOHIYGCUKI-PJSAGSTRSA-N 352.291 5.084 0 1 FKAF Cc1ccc(-c2csc(-c3ccc(SC(C)(C)C)nc3)n2)cc1C 587920673 KLXFXEOUJYYXJD-UHFFFAOYSA-N 354.544 6.380 0 1 FKAF N[C@H](COc1cccc(F)c1Oc1ccc(Cl)cc1)c1ccccc1 1772618001 VAEYACTZFMBKNG-GOSISDBHSA-N 357.812 5.350 0 1 FKAF COc1cc2c(c(CC=Cc3ccccc3)c1)O[C@@H](c1ccccc1)C=C2 2356284405 ZHSVHVHIIAHCHX-XMMPIXPASA-N 354.449 6.098 0 1 FKAF C[C@@H]1CC=C[C@](C)([C@@H]2C[C@@H](Cc3cccc(O)c3)CC3(CCCC3)C2)C1 2356477104 OUOWUEBTLCCJKL-YJRNTSOCSA-N 352.562 6.904 0 1 FKAF FC(F)(F)C1(Cl)[C@](Cl)(c2ccccc2)[C@@]1(Cl)c1ccccc1 1613107 JHECBPQLNLDWBJ-KBPBESRZSA-N 365.609 5.809 0 1 FKAF O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@H](c2ccoc2)N1Cc1ccccc1 13661893 KSYOIXDDZBOZLY-LWSSLDFYSA-N 369.464 5.339 0 1 FKAF CN(C)CC[C@@H](OC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 13684613 NHZQSQXKZNYYSW-OAQYLSRUSA-N 367.876 5.343 0 1 FKAF Clc1ccc2c(c1)Oc1ccccc1[C@H]2SCCN1CCCCC1 25969482 JMUPGIFOBFKRCK-HXUWFJFHSA-N 359.922 5.754 0 1 FKAF CC1(C)CCC(C)(C)c2cc(-c3cccc4cc(C(=O)O)ccc34)ccc21 28758379 LVGJDYIUOCHZQN-UHFFFAOYSA-N 358.481 6.554 0 1 FKAF CC1(C)CCC(C)(C)c2cc(C(=C3CC3)c3ccc(C(=O)O)cc3)ccc21 28758393 IBMBPTSPCXVWFN-UHFFFAOYSA-N 360.497 6.330 0 1 FKAF Cc1ccc(-c2cc(OC(=O)NC3CCCC3)cc(-c3ccccc3)c2)cc1 40897542 LQTIPVWKMVGQEN-UHFFFAOYSA-N 371.480 6.360 0 1 FKAF CCCCCc1cc2c(c(O)c1C(=O)O)-c1cc(C)c(O)cc1C(C)(C)O2 43078831 DMVDJDMFQCOKJW-UHFFFAOYSA-N 370.445 5.132 0 1 FKAF biogenic O=C(Nc1ccc(Cl)cc1)c1cc(Cl)cc2nc(C(F)(F)F)[nH]c12 45191647 CTQVNRPFBFVUGG-UHFFFAOYSA-N 374.149 5.141 0 1 FKAF O=C1C[C@@H](c2ccc3oc(-c4ccc(O)cc4)cc3c2)Oc2cc(O)ccc21 59775505 FKAOXSDPCYTXNP-QFIPXVFZSA-N 372.376 5.218 0 1 FKAF biogenic Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2n1 68589242 IJNOEHOYRILIST-UHFFFAOYSA-N 352.437 5.314 0 1 FKAF biogenic CCCC[n+]1ccn([C@H](c2ccccc2)c2cc3ccccc3o2)c1CC 95589922 JBGRGAYVRBYTCT-XMMPIXPASA-N 359.493 5.522 0 1 FKAF CCN(CC)CC[C@@H](C)COc1c(Cl)cc(Cl)c2cccnc12 95595941 GXCNWDWFRWCAMG-CYBMUJFWSA-N 355.309 5.288 0 1 FKAF C[C@@H](N[C@@H]1CC[C@@H](c2ccc(C(=O)O)cc2)C1)c1cccc2ccccc12 145542126 RVOJEPPTKATVSU-MAODMQOUSA-N 359.469 5.525 0 1 FKAF CC(/C=C\C=C(C)\C=C\[C@@H]1[C@@H](C)CCCC1(C)C)=C/CN1CCOCC1 169300302 JGEUGBGGYLQOTH-YZKIAIIVSA-N 357.582 5.786 0 1 FKAF CCN(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21 169336956 RZKSCIPGCFHGQH-DVECYGJZSA-N 370.496 5.693 0 1 FKAF CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@@H](c2cccc(Cl)c2)C1 204303985 XJPGUVMMCPULQV-QGZVFWFLSA-N 356.853 5.392 0 1 FKAF Cc1cc(CN2CCCc3ccccc32)cc(C)c1NC(=O)CC(C)(C)C 207517919 RATDELIAIUZUJA-UHFFFAOYSA-N 364.533 5.631 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](Nc3ccc(O)cc3)CCC[C@@]21C 299866485 VXFKLMHFYSPAMR-CJNUZUDLSA-N 357.582 6.852 0 1 FKAF COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1 473114663 OIURMUZLFZOZIM-UHFFFAOYSA-N 366.424 5.091 0 1 FKAF CC(C)[C@@H]1CC[C@H](C)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992244 UMVBIKVKVCKFQC-KBPBESRZSA-N 357.453 5.789 0 1 FKAF CCCn1ncc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1C 587104261 FXARIDDGPJLFCN-UHFFFAOYSA-N 353.425 5.028 0 1 FKAF Cc1c(-c2c[nH]c3ccccc23)nc2cccc3c2c1-c1ccccc1C3=O 587105567 DIJWFNQUEYIHCV-UHFFFAOYSA-N 360.416 5.903 0 1 FKAF FC(F)(F)Sc1ccc(/C=C\c2nc3cncc(Cl)c3[nH]2)cc1 587124126 INLNLWDGIAUCQL-UTCJRWHESA-N 355.772 5.394 0 1 FKAF Cc1ccc2c(ccc3nc(-c4ccccc4-c4ccc(F)c(F)c4)[nH]c32)n1 587145667 QBQRJXSGEOOUDS-UHFFFAOYSA-N 371.390 6.032 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587153245 OFGMJLATGGHPCU-UHFFFAOYSA-N 372.321 5.935 0 1 FKAF CCCOc1cc2[nH]c(-c3ccc(CN=O)cc3)nc2cc1Br 587189377 AQQWRUDDBACQAO-UHFFFAOYSA-N 374.238 5.048 0 1 FKAF COc1cccc(-c2cc(-c3cccc(N)c3)nc3c2oc2ccccc23)c1 587361930 CGTYEOIJOKEALX-UHFFFAOYSA-N 366.420 5.906 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cn(C(C)C)c3ccccc13)CC2=O 587477788 VCYJARXDSBHKRE-QFIPXVFZSA-N 363.457 5.587 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(C)C)ccc1OCC)CC2=O 587480739 PCACWHZQKHDEAJ-QFIPXVFZSA-N 368.473 5.573 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cncc(-c3ccccc3)c1)CC2=O 587489623 MVIBXWCQNMUIDP-JOCHJYFZSA-N 359.425 5.113 0 1 FKAF O=C1C[C@@H](c2ccc3ccc(Cl)cc3n2)Oc2c1ccc1c2CCCC1 587501178 RAYWUXVVPGPENG-NRFANRHFSA-N 363.844 5.474 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccc(F)c(F)c3)c(-c3ccccc3)[nH]c12 587624642 OHSUEHHTIVBNSZ-UHFFFAOYSA-N 353.799 6.742 0 1 FKAF Cc1c(-c2c(C)n(CC(=O)O)c3ccccc23)[nH]c2ccc(F)c(Cl)c12 587632389 WCDMLYFJFJHMIA-UHFFFAOYSA-N 370.811 5.284 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C(F)F)N1 587718933 PEDVSSCTKVCMOX-FVMDXXJSSA-N 370.212 5.149 0 1 FKAF CCOc1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)ccc1C 587779261 ZSCHARIQTPFPOY-UHFFFAOYSA-N 358.441 5.516 0 1 FKAF COc1ccc(C)cc1C(=O)CCc1nc2cc(Cl)c(Cl)cc2[nH]1 587785865 DDQASUWXNDSOCX-UHFFFAOYSA-N 363.244 5.002 0 1 FKAF Oc1ccccc1-c1cc(-c2cccc(Cl)c2)c2oc3ccccc3c2n1 1772604224 MKSPVORSTMMLHR-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF Fc1ccc(CC[C@H]2CN(Cc3ccc(Cl)cc3)CCC2(F)F)cc1 1772605838 IAQBHCHWTSYAPD-KRWDZBQOSA-N 367.842 5.569 0 1 FKAF COC(=O)CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccccc1 1772621946 GJOOJSKMPRJUDY-UHFFFAOYSA-N 374.436 5.010 0 1 FKAF C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](OCc3ccccc3)CC[C@H]12 2356322389 ZSXQKJCUWHUJJR-URGBZLTBSA-N 364.573 6.781 0 1 FKAF CC1=C[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)CC[C@H](C(C)C)[C@@]2(O)CC1 2356502163 ZJMCLZQHFRSWIZ-KJBBBAAKSA-N 368.517 5.155 0 1 FKAF COC(=O)C[C@H](C)CCC=C(C)CCCc1coc(Cc2ccoc2)c1 2356665417 GOGZLXLTQRESLM-GOSISDBHSA-N 358.478 5.712 0 1 FKAF C[C@H]1C[C@@H](C)C[C@]2(C)[C@H](C)Oc3c(-c4ccc(O)cc4)cnc(O)c3[C@@H]12 2356874311 YUVRNJMVVICARN-NSQIJBQGSA-N 353.462 5.097 0 1 FKAF COc1ccc(-c2ccc(C(=O)Nc3ccccc3)c3occc23)c(C)c1 61926089 KRHTWCPOQZRCLV-UHFFFAOYSA-N 357.409 5.669 0 3 FKAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCS1 3610640 PZDFHHSXZRIAEF-CABCVRRESA-N 360.563 6.731 0 1 FKAF CCCC[C@@H]1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 3821097 HKKAPCOJXICOAX-FQEVSTJZSA-N 351.465 6.724 0 1 FKAF CCCCCC[S@](=O)c1cc(-c2ccccc2)c(-c2ccccc2)nn1 13470398 GJWUBEJVSBCJLF-AREMUKBSSA-N 364.514 5.499 0 1 FKAF O=C(O)CC/C(=C/c1cccc(OCc2ccccc2)c1)c1ccccc1 13780349 XKYSKEZOGQZDAD-JWGURIENSA-N 358.437 5.671 0 1 FKAF CC(C)(C)c1ccc(NC(=N)Nc2ccc(OCc3ccccc3)cc2)cc1 13780932 QGEFSNVVXMZQNJ-UHFFFAOYSA-N 373.500 6.022 0 1 FKAF CCCCN(CC)c1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 26172050 WGXFGOIOARMSLN-UHFFFAOYSA-N 356.901 5.293 0 1 FKAF CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNC[C@H]1CCCN1 26182618 LAHSBDBGBNBBCE-MJTJJFPGSA-N 368.609 5.162 0 1 FKAF CCCCc1nc2ccccc2c2nc(-c3ccc(C(F)(F)F)cc3)nn12 27209240 LMLTXGAUQANHND-UHFFFAOYSA-N 370.378 5.306 0 1 FKAF CCC(=O)c1cc2c(o1)C[C@@H]1CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@H]34)[C@@]1(C)C2 27429905 BRNOSSNGWQHLRG-MKVSWHATSA-N 370.533 5.191 0 1 FKAF O=C(O)/C=C/c1ccc(-c2cccc(C34CC5CC(CC(C5)C3)C4)c2)cc1 28825667 DSFYSUXTIWEYKC-RMKNXTFCSA-N 358.481 5.919 0 1 FKAF CC(C)Nc1nc2ccc(-c3ccnn3-c3cccc(Cl)c3)cc2s1 29041783 ANHXFJIJHVIQOX-UHFFFAOYSA-N 368.893 5.623 0 1 FKAF Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1ccc2ncsc2c1 40406663 ZDGSOZJFFXLCRP-UHFFFAOYSA-N 363.417 5.058 0 1 FKAF CCCCC[C@@H]1CN=C(CCCC/C=C\CCCCCCC(=O)OC)O1 43067390 WHVRXIVVBUMCTF-MWGFUINXSA-N 365.558 5.994 0 1 FKAF Cc1noc(C)c1-c1ccc(C(=C2CCCCCC2)c2ccc(O)cc2)cc1 45194586 OQAVAAMXESTSFG-UHFFFAOYSA-N 373.496 6.820 0 1 FKAF C[C@@H]1C[C@@H](NCc2coc(-c3ccc(-c4ccccc4)cc3)n2)CC(C)(C)C1 72180469 GQDUWEFODKVNOL-XMSQKQJNSA-N 374.528 6.313 0 1 FKAF C[C@@H](Nc1cc(-c2cccc(-c3ccccc3)c2)ncn1)c1ccccc1 82161333 DUNUYTQJCSUHKZ-GOSISDBHSA-N 351.453 5.984 0 1 FKAF NC1(c2ccc(-c3nc4cc(Cl)ccn4c3-c3ccccc3)cc2)CCC1 168151917 PMLIJZCWPLPZLY-UHFFFAOYSA-N 373.887 5.660 0 1 FKAF CN(C/C1=C\CCCCCC1)Cc1ccc(I)cc1 169292097 MEBVDVKSUCNCRJ-CHHVJCJISA-N 369.290 5.004 0 1 FKAF O=C(O)C[C@@H](c1cccc(-c2cccc(F)c2Cl)c1)c1nccs1 221096834 GDCXDWRLAKDAPD-AWEZNQCLSA-N 361.825 5.209 0 1 FKAF CCCCC/C=C\C/C=C\CCCCCc1cc(=O)c2ccccc2[nH]1 238743865 YUVGUUFSLOQITK-HZJYTTRNSA-N 351.534 6.714 0 1 FKAF O=C(CCC1CCCCC1)Nc1ncc(Cc2ccccc2Cl)s1 299859608 FZRYKOVVPHQZJR-UHFFFAOYSA-N 362.926 5.686 0 1 FKAF Cc1c(Br)cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1C 586884520 QOCRMHHTHVRVDN-MNUAXYBXSA-N 359.311 5.410 0 1 FKAF Cc1cncc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586975654 OYLJFUQBRBXHIW-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF Clc1ccc(CC/C(=C\c2nc3cccnc3[nH]2)c2ccccc2)cc1 587073548 KSHFCKUAMLPJIX-OBGWFSINSA-N 359.860 5.785 0 1 FKAF COc1cccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587095079 PBXKEMHETIWVBL-UHFFFAOYSA-N 360.257 5.276 0 1 FKAF Fc1cccc(-c2nc3cccc(Br)c3[nH]2)c1C(F)(F)F 587098605 UZHVCHITKNBIRA-UHFFFAOYSA-N 359.120 5.150 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2n1 587113281 VELZUJLFEHVPDK-UHFFFAOYSA-N 370.378 5.489 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cccc(F)c4[nH]3)c(F)c2)c(F)c1 587152863 SSBQFGPCGPFSTB-UHFFFAOYSA-N 354.331 5.323 0 1 FKAF O=C(Nc1cccc(-c2nc3cccc(Cl)c3[nH]2)c1)c1ccc(F)cc1 587162090 CIHUJHDULCVHOU-UHFFFAOYSA-N 365.795 5.275 0 1 FKAF O=C(/C=C/c1nc2ccc(Sc3ccccc3)cc2[nH]1)Nc1ccccc1 587245505 YNFRKEKSDWLFCF-BUHFOSPRSA-N 371.465 5.366 0 1 FKAF COc1cc2c3c(c1)O[C@@](Cc1cccc(Cl)c1)(CC(C)C)[C@@H](C2)C3=O 587421061 RMNLQRBPJWQRGO-PGRDOPGGSA-N 370.876 5.124 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3cc(Cl)ccc3o1)CC2=O 587459450 DOCBOGASLQPHKU-OAQYLSRUSA-N 370.832 5.625 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-n3cccc3)cc1)CC2=O 587470135 INHKHFVUMRJGFS-QHCPKHFHSA-N 361.441 5.016 0 1 FKAF Cn1c(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587500432 OUSARMQWQWIWLB-IBGZPJMESA-N 365.860 5.417 0 1 FKAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1C 587515402 MFYNRGZKJCHXLE-XMMPIXPASA-N 359.469 5.246 0 1 FKAF C[C@]1(C2(c3ccccc3)CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587522621 JJGOGMLXTPLANL-XMMPIXPASA-N 360.497 5.801 0 1 FKAF C=Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587815787 QFIZMNHLOZXIRT-BLVKFPJESA-N 360.270 5.029 0 1 FKAF CCCc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587821448 VCEBDVLQIDEUMH-CWTRNNRKSA-N 362.286 5.164 0 1 FKAF c1cncc(CN2CCc3sccc3[C@@H]2c2cccc3c2CCCC3)c1 962990966 CLFNIWRNYIKFMH-QHCPKHFHSA-N 360.526 5.170 0 1 FKAF CC(=O)C[C@@]1(c2cccc(Cl)c2)NCCc2c(Cl)cc(Cl)cc21 963120557 KCWJPRPPOOQWRK-SFHVURJKSA-N 368.691 5.015 0 1 FKAF Cc1ccccc1[C@]1(c2ccc(C(C)(C)C)cc2)NCCc2ccc(O)cc21 963341647 OGHZQNWDBINFJR-SANMLTNESA-N 371.524 5.436 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 2356395966 YEJNIBFGDXBKPG-AEPXPHGDSA-N 352.562 6.713 0 1 FKAF CC(C)=CCCC(C)=CCc1c(O)c(C=O)cc2c1[nH]c1c(O)cccc12 2356659402 AMGILDWXQUZPSP-UHFFFAOYSA-N 363.457 5.780 0 1 FKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)Cc1cc2scnc2cc1O 2356799248 UFIAWNHKMLLRGF-FJGOKHBRSA-N 355.547 6.343 0 1 FKAF CCCC1CCC2(CC1)CC[C@H]2OC(=S)Nc1cccc(Cl)c1 205704748 RRJGATUIKHKVMQ-LTCLLZNKSA-N 351.943 6.193 0 3 FKAF CCCC/C=C/[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 5977947 IBXMHGFEWDRXEA-UFUQCMIWSA-N 361.407 5.923 0 1 FKAF O=C(Nc1cccc(SC(F)(F)F)c1)Nc1cccc2ccncc12 13608722 URSJIZFOJPCCAB-UHFFFAOYSA-N 363.364 5.491 0 1 FKAF CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)O)cc3)c(F)cc21 13738444 WWPNKNDRIFQGQU-UHFFFAOYSA-N 354.421 5.104 0 1 FKAF CC(C)CCCCCCCC[C@@H](O)CC(=O)N1CCC[C@@H]1c1cccnc1 14684437 SHZBFDWXFJTSEI-FGZHOGPDSA-N 374.569 5.273 0 1 FKAF biogenic O=C(O)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 14978919 ABFWFUAKPRLLAW-YADHBBJMSA-N 359.425 5.279 0 1 FKAF Fc1ccc(Oc2cc(NCc3cccc(C(F)(F)F)c3)ncn2)cc1 38444801 MVWLKOXMFWYJDL-UHFFFAOYSA-N 363.314 5.039 0 1 FKAF Cc1csc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)n1 40408703 XWVYWIMKFIEORA-AJTFCVKESA-N 360.482 5.077 0 1 FKAF CCCCCC[C@@H]1C=CC=C(CO)C2=C3[C@H]1CCCC[C@@]31OC(C)(C)O[C@@H]21 64512995 FMIQTBFLGZMDLX-XICBGYMWSA-N 372.549 5.452 0 1 FKAF Fc1ccc([C@H]2C[C@H]3CC[C@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1 66100966 LSHLQBBAJNMIOH-UBBRYJJRSA-N 365.473 6.016 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(Oc3ccccc3)cc2)n1 72183760 JNUVAFMGBASYJZ-GOSISDBHSA-N 364.489 6.192 0 1 FKAF CCCCc1ccc(-c2cc(N[C@H]3C[C@@H](C)CC(C)(C)C3)ncn2)cc1 82162069 GYIMYFQJWRNBEO-XLIONFOSSA-N 351.538 6.113 0 1 FKAF CCC(=O)OC/C=C(\C)C[C@@H](O)[C@]1(C)[C@H]2CCCC(C)(C)C2=CC[C@H]1C 96932995 IKNWTYPWLJXJDD-MKPCVQRSSA-N 362.554 5.436 0 1 FKAF C[C@H]1Sc2ccc(Cl)cc2C(O)=C1C(=O)Nc1cccc(Cl)c1 101002058 IZACCOPDTVOHKX-SECBINFHSA-N 366.269 5.395 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2cccc(Br)c2[nH]1 586897163 ZJLZAXBWVZORPZ-UHFFFAOYSA-N 365.230 5.365 0 1 FKAF Clc1cc(Br)c2[nH]c(CSCc3ccsc3)nc2c1 587028690 ZAFLTWZXKWUVPP-UHFFFAOYSA-N 373.728 5.474 0 1 FKAF Fc1cc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2cc1Cl 587135300 WRGSQBPMUYOXRD-UPHRSURJSA-N 362.660 5.221 0 1 FKAF CC(=O)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151422 YFWCLMDOBAUHRS-OAQYLSRUSA-N 359.404 5.106 0 1 FKAF CC[C@@]1(c2cc(F)cc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587381389 HWCRNAYIKGOOCD-SFHVURJKSA-N 367.342 5.006 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(Cl)cc3F)o1)O2 587384811 JEVCYYCZTISDRM-LJQANCHMSA-N 371.795 5.336 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccccc3nc1Cl)CC2=O 587463062 VOBMULTZPQXDDZ-LJQANCHMSA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCC(C)C)c1)CC2=O 587483388 QHTFCNXJMPBKOF-JOCHJYFZSA-N 368.473 5.476 0 1 FKAF CC[C@@H](C)Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587522293 KPVTVPPKZSOMDM-QRQCRPRQSA-N 350.458 5.449 0 1 FKAF O=Cc1cc2ccccc2cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525382 OVNZRKYJBITAHC-QHCPKHFHSA-N 356.421 5.238 0 1 FKAF Cc1cccc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603982 SZFNAGBIZPTXBR-ZJSXRUAMSA-N 374.436 5.054 0 1 FKAF CC(C)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587604436 WRZQARACCKQCPG-URXFXBBRSA-N 374.436 5.393 0 1 FKAF C[C@]1(c2coc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616862 MWBYISIAKRBWKG-NZQKXSOJSA-N 372.376 5.015 0 1 FKAF Cc1c(-c2cc(F)cc(Br)c2)[nH]c2ccc(F)c(Cl)c12 587629657 VTXHBZCMMYWADG-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF O=C(O)c1cccc2c(Sc3ccccc3)c(-c3ccc(F)cc3)[nH]c12 587638058 KFJCJVPMYOAONH-UHFFFAOYSA-N 363.413 5.823 0 1 FKAF CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2ccc([C@H](C)CC)cc12 587642282 MNPFQJVQROFONN-CQSZACIVSA-N 353.437 5.588 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2Cl)N1 587734111 SSPJVMBZJJJXBF-ZKANADHPSA-N 372.640 5.004 0 1 FKAF COc1cccc(OCc2ccc(-c3nc4c(F)cc(C)cc4[nH]3)cc2)c1 587780897 LIEBMFJLMKABFS-UHFFFAOYSA-N 362.404 5.265 0 1 FKAF COc1ccc(-c2ccc(-c3nc4c(C)c(F)ccc4[nH]3)cc2)cc1OC 587928780 LGBFOIQSPIKICA-UHFFFAOYSA-N 362.404 5.362 0 1 FKAF CC1([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)CCCCCC1 962624738 ANXPNGRSMYWPRR-ZCYQVOJMSA-N 374.572 5.835 0 1 FKAF C[C@H]1CCC[C@]2(O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 2356741416 JWJBVPQUZFTTKO-XVBKDQRHSA-N 358.566 5.087 0 1 FKAF CC(C)Oc1cccc([C@H](C)c2ccc3c(c2)Nc2ccccc2S3)c1 2382221118 JRQSDZTWMPUGEF-INIZCTEOSA-N 361.510 6.834 0 1 FKAF Cc1c(C)c2c(c(C)c1N)C[C@@](C)(CSc1nc3ccccc3s1)O2 13652087 XKSUANJVVUGPKT-FQEVSTJZSA-N 370.543 5.290 0 1 FKAF COc1cc(/C=C/c2ccccc2)cc(O[C@@]2(C(C)C)CC=C(C)CC2)c1 14589845 FHNNVZMWQSSCHB-VSFTXHECSA-N 362.513 6.769 0 1 FKAF O=C(CCCCCCCCc1ccccc1)c1nnc(-c2ccccn2)o1 28119740 XVAJXVDVOFTPGR-UHFFFAOYSA-N 363.461 5.288 0 1 FKAF C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)CSC(c1ccccc1)c1ccccc1 28221568 OCNUIQXAVRCMGG-WOIUINJBSA-N 369.574 5.133 0 1 FKAF CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 59529647 OXOAFCTVSCEACA-DZFVFWAGSA-N 366.542 5.140 0 1 FKAF O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccc(O)cc1)C1CCCCCCC1 64539456 YZQOTLPLSCZECK-QFIPXVFZSA-N 371.427 5.269 0 1 FKAF CCC(=O)Nc1nc(/C=C/c2ccccc2)cc(/C=C/c2ccccc2)n1 66104697 GYFHZTLFNMVEDV-WXUKJITCSA-N 355.441 5.166 0 1 FKAF CC[C@H]1CCCCN1c1cc(Oc2ccc(OC)c3ccccc23)ncn1 82067396 MKARJBHSUFPKFV-INIZCTEOSA-N 363.461 5.200 0 1 FKAF COc1ccc(Cl)cc1-c1cc(NC[C@H](C)c2ccccc2)ncn1 82161297 QCKOPYGKZYYLAN-AWEZNQCLSA-N 353.853 5.021 0 1 FKAF Cc1ccc2c3c(ccc2n1)N=C1CCCC(O)=C1[C@@H]3c1ccc(O)cc1 104049050 IJRCRMHKCIHIPX-OAQYLSRUSA-N 356.425 5.463 0 1 FKAF OCCCCCCCCCCCc1nc2ccc(OC(F)(F)F)cc2[nH]1 586894605 OAWRCCNCFWYDAP-UHFFFAOYSA-N 372.431 5.507 0 1 FKAF Oc1ccc(C2(c3nc4ccc(Sc5ccccc5)cc4[nH]3)CC2)cc1 586899097 SXDFEEQIPCVPQP-UHFFFAOYSA-N 358.466 5.500 0 1 FKAF Clc1cccc(/C=C\c2nc3cc(Br)cnc3[nH]2)c1Cl 587053746 HVCMXOVAZZVBCX-PLNGDYQASA-N 369.049 5.198 0 1 FKAF Cc1ccc2[nH]c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)nc2c1 587105478 AFORGPCXHKBXLR-UHFFFAOYSA-N 361.404 5.298 0 1 FKAF C[C@H](Oc1cccc(F)c1-c1cc2c3c(cccc3n1)CC2)c1ccccc1 587210170 HZIQBJKKZLCCEJ-INIZCTEOSA-N 369.439 6.280 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(SC3CCCC3)cc1)O2 587410515 OKWMITZXCLRHDR-JOCHJYFZSA-N 367.514 5.493 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)oc3ccccc13)CC2=O 587460369 IAEWRPMOALOLSL-QGZVFWFLSA-N 356.805 5.451 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ncc3ccccc13)CC2=O 587462560 RCCHAYVUGJQOBF-SFHVURJKSA-N 367.832 5.253 0 1 FKAF O=C1C[C@@H](c2cnc(-c3cccs3)s2)Oc2c1ccc1c2CCCC1 587535864 OWFRXWFENPUIEE-INIZCTEOSA-N 367.495 5.457 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)N(C)Cc3cccc(Cl)c3)c2c1 587639775 CNFCLHPENZFPLJ-AWEZNQCLSA-N 368.908 5.915 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cc(Cl)ccc3OC)c2c1 587642343 RGUATFVADLWMAN-GFCCVEGCSA-N 370.880 5.904 0 1 FKAF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587696033 PBJLCXUDIPGQCL-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF COc1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(OC)c1C 587788249 SRFWRJOYNKILGY-UHFFFAOYSA-N 374.440 5.135 0 1 FKAF CC(C)CC[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587813658 DLEFBGZJIJEOOK-KZULUSFZSA-N 354.307 5.164 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3CCCC[C@@H]32)N1 587820393 ABYWZBHHURUGGD-QUHUKJRKSA-N 366.318 5.308 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 587959967 TXIPZWOIIODGAN-UHFFFAOYSA-N 368.267 5.831 0 1 FKAF COc1cccc2c3c(cnc12)CCN[C@@H]3[C@H](C)[C@H](C)CCC=C(C)C 963046492 JKNAEWOUNMDGAF-DRSNIGMVSA-N 352.522 5.449 0 1 FKAF CCCCCC[C@]1(O)C(=O)Nc2ccc(Nc3ccc(Cl)cc3)cc21 1857578927 ZYNUCSNDHPAZHC-HXUWFJFHSA-N 358.869 5.194 0 1 FKAF CCC1=C[C@H](C)[C@@H]2C(C)=C[C@](C=Cc3ccccc3)(CC)[C@@](C)(C(=O)O)[C@@H]12 2356778769 DGVIYEMUVWSVTP-HLEJILCDSA-N 364.529 6.366 0 1 FKAF CC(C)Cc1ccc([C@@H](C)C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 2382240915 FTSOZLRZUPIBAC-GOSISDBHSA-N 351.534 5.603 0 1 FKAF CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)cc1 600953 HDUQKBUHXYJBEX-UHFFFAOYSA-N 362.429 5.932 0 1 FKAF CCCCCc1c(CCCC)c(=O)[nH]c2nc(NC(=O)CCCC)ccc12 13219278 YWJGXQKPPGQLIE-UHFFFAOYSA-N 371.525 5.127 0 1 FKAF CC(C)(C)c1ccc(-c2ccc(C(=O)NCc3ccccc3)cc2)c(O)c1 13603818 SAFPJGKFMZQYOO-UHFFFAOYSA-N 359.469 5.287 0 1 FKAF C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C(=O)C4CC4)cc3)ccc2o1 13606787 POAWKGPFNHDXRG-QGZVFWFLSA-N 373.496 5.719 0 1 FKAF CCCCCCC(=O)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 13779273 QJSPAMOJYVCLHT-QZTJIDSGSA-N 356.506 6.156 0 1 FKAF O=C(O)c1ccc(NCCCc2ccc(OCc3ccccc3)cc2)cc1 29205438 PIQREAVHKGMYGB-UHFFFAOYSA-N 361.441 5.009 0 1 FKAF O=C(O)c1ccc(-c2ccc(-c3cc4cccc(Cl)c4o3)[nH]2)c(F)c1 29466513 GXAREALMCGFLRN-UHFFFAOYSA-N 355.752 5.586 0 1 FKAF CC1(C)CCC(C)(C)c2cc([C@]3(C)O[C@@H]3c3ccc(C(=O)O)cc3)ccc21 34110894 MJVVETLXZJGUTO-YKSBVNFPSA-N 364.485 5.721 0 1 FKAF FC(F)(F)Oc1ccc(-c2ccc3[nH]cc(C4=CCNCC4)c3c2)cc1 63539553 GVPOWKVWVGYUKF-UHFFFAOYSA-N 358.363 5.110 0 1 FKAF Oc1ccc(-c2nc(CNC3CCCCCCCCCCC3)co2)cc1 72180316 MEFRTQQMTABDAP-UHFFFAOYSA-N 356.510 5.810 0 1 FKAF Oc1ccc(/C=C/c2c(-c3ccc(O)cc3)noc2-c2ccc(O)cc2)cc1 84725428 UMGHCVJISXFBNK-LZWSPWQCSA-N 371.392 5.296 0 1 FKAF CCCN(C)Cc1cn(C/C=C(\C)CCC=C(C)C)c2ccc(F)cc12 140661937 AXFWLLSQFWRRMW-XDHOZWIPSA-N 356.529 6.315 0 1 FKAF N=c1sc(=S)[nH]c2c1cc(-c1ccc(Cl)cc1)n2-c1ccccc1 169313039 YWRDFFPRVFGPEZ-UHFFFAOYSA-N 369.902 5.549 0 1 FKAF COc1ccc(-c2ncn(C[Si](C)(C)C)c2-c2ccc(OC)cc2)cc1 195452569 UTVVFZUUMJWAHR-UHFFFAOYSA-N 366.537 5.112 0 1 FKAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299821126 UIRGBYWISWGYEM-CCDNWQPMSA-N 373.581 5.081 0 1 FKAF CC(C)(C)S[C@H](C(=O)c1ccc(Cl)cc1)n1cnc2ccccc21 473108263 LSJYFAFQUBWBEL-GOSISDBHSA-N 358.894 5.603 0 1 FKAF CC(=O)Nc1ccc(Oc2ccccc2-c2nc3ccncc3s2)cc1 584904762 OPOGWEXFOKBMCJ-UHFFFAOYSA-N 361.426 5.109 0 1 FKAF in-vitro COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 586918106 WKKXWBIPDLYNBC-HXOBKFHXSA-N 362.473 5.077 0 1 FKAF Cc1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2cc1F 587067697 LPNNQORHISTNJY-UHFFFAOYSA-N 366.823 5.490 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc5c(c4)CCN5)nc13)-c1ccccc1C2=O 587097785 SRPXJGAATHILRZ-UHFFFAOYSA-N 362.432 5.390 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc4ccccc4n3)nc3cccc1c23 587106025 KFBUVYWAKOLXGK-UHFFFAOYSA-N 358.400 5.661 0 1 FKAF Fc1ccc(-c2ccccc2-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1F 587144577 AOGVICGQKZPXKP-UHFFFAOYSA-N 374.312 6.194 0 1 FKAF Oc1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587159018 KWCBJYRKKKLMBG-LJQANCHMSA-N 368.795 5.229 0 1 FKAF CC[C@@]12CC[C@@H](C1)c1c2nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587365886 JMMJOIMDQVEOJQ-IVCQMTBJSA-N 369.464 6.586 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc([C@@H](CC)OC)cc1)CC2=O 587482928 KUKQWLYYAKEFEG-GGAORHGYSA-N 368.473 5.323 0 1 FKAF CCCC[C@H](CC)C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604566 WUXWGGZRVYPWID-YSSFQJQWSA-N 354.446 5.329 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(-c3ccc(F)cc3)c2c1 587641861 KJQQXPLHVFJHRH-QGZVFWFLSA-N 357.472 7.463 0 1 FKAF CCCCCC[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587812641 KCIVMPXVTXPHPY-FZKQIMNGSA-N 356.323 5.698 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587817751 ATAKSFXTICDOLC-IZSNYMMISA-N 368.334 5.410 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=CC[C@H]3C[C@@H]2C3(C)C)N1 587824144 UUNHCFBJULFAHY-QZVGHKLESA-N 364.302 5.156 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2c(C)c(Br)cnc2[nH]1 587950998 FXPHEPYIFFZJBM-SUHUHFCYSA-N 366.303 5.075 0 1 FKAF CCCC[C@@H]1CCCC[C@@]12c1ccsc1CCN2Cc1cccn1C 962373957 KSDDQZGJPKGMBF-GCJKJVERSA-N 356.579 5.721 0 1 FKAF Cc1[nH]c2c(Cl)cccc2c1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963115745 XMGIYNBTONLXEW-VFNWGFHPSA-N 354.856 5.379 0 1 FKAF Clc1nc2ccccc2cc1[C@H](OCc1ccccc1)c1cccs1 1857594692 OATMKOLMJXDPQQ-FQEVSTJZSA-N 365.885 6.256 0 1 FKAF COc1ccc(-c2cccc3ccccc23)cc1C12CC3CC(CC(C3)C1)C2 2382232431 FBRRARJJNXOVMH-UHFFFAOYSA-N 368.520 6.983 0 1 FKAF CC(C)Cc1ccc([C@@H](C)C(=O)NCc2ccc(Cl)c(Cl)c2)cc1 2382239329 IPIXYYNFWIBWRE-CQSZACIVSA-N 364.316 5.612 0 1 FKAF COc1cc([C@H](O)c2nc(-c3cccc(C(C)C)c3)cs2)ccc1F 61907192 XTUBTSQGWSKAGK-IBGZPJMESA-N 357.450 5.163 0 3 FKAF O=C(Nc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1)C1CC1 11180815 RBHLOLDEEJUWQQ-UHFFFAOYSA-N 354.862 5.479 0 1 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@@H](C)N(C)C)=CC[C@H]32)C1 14678486 ODQOCJVSQCAFKC-OGMBKRQPSA-N 358.614 5.104 0 1 FKAF biogenic C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccncc1 26495089 XAAZZZPPMNDFEH-OULXOOISSA-N 351.534 5.489 0 1 FKAF C[C@@H](CNCCOc1ccc(OCc2ccccc2)cc1)c1ccccc1 26504085 MDMYMJUIQIOGGF-FQEVSTJZSA-N 361.485 5.038 0 1 FKAF in-vitro N=C(N)c1ccc2cc([C@@H]3C[C@@H]3c3ccccc3)cc(Br)c2c1 28366601 PDOPCKAPHCDUPT-SJORKVTESA-N 365.274 5.157 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)N[C@@H](C)C(=O)O)C(C)(C)CCC1 29567110 JSNAKIATBRGNKG-YGGUCYLRSA-N 371.521 5.107 0 1 FKAF Cc1ccc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)cc1 36124542 ZCAYXHUYLXZVMK-UHFFFAOYSA-N 352.455 5.595 0 1 FKAF c1ccc([C@H](c2ccc(Nc3ccc4c(c3)CCC4)cc2)n2ccnc2)cc1 40873073 GVCAGSUKJPDAPR-RUZDIDTESA-N 365.480 5.753 0 1 FKAF CCCOC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(CC)CC 66112748 POAUDUUVRRBSRI-UHFFFAOYSA-N 372.513 5.415 0 1 FKAF O=C(O)Cn1cc(Sc2ccc(Cl)cc2)c2cc(Cl)ccc21 73196619 YTGIJKGBSQTBIO-UHFFFAOYSA-N 352.242 5.184 0 1 FKAF COc1ccc(Nc2nccc3c2cc(-c2ccsc2)n3C)c(OC)c1 74387125 MCAACACXAIGOAM-UHFFFAOYSA-N 365.458 5.063 0 1 FKAF CCCSCCCCCCCCCCCOc1ccc(C(=O)O)cc1 169344820 VUKYRQUSCMPCOH-UHFFFAOYSA-N 366.567 6.418 0 1 FKAF Clc1ccc(-c2csc(Nc3ccc(N4CCOCC4)cc3)n2)cc1 299835532 WYWWLOWSRITKOF-UHFFFAOYSA-N 371.893 5.044 0 1 FKAF FC(F)(F)C(F)(F)c1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cn1 586884159 OJRKNXSVGADPSY-ZGNZKYAMSA-N 371.353 5.080 0 1 FKAF Clc1ccccc1OCc1ccc(-c2nc3c(Cl)nccc3[nH]2)o1 587064207 FBUZPYCAARYHDR-UHFFFAOYSA-N 360.200 5.104 0 1 FKAF CCC[C@@H](C(=O)OCC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096348 CYXYXHARVPQFKF-QGZVFWFLSA-N 373.452 5.201 0 1 FKAF CC[C@H](C)[C@@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100372 ICBWRHHNFOIZST-HOCLYGCPSA-N 355.481 6.221 0 1 FKAF Fc1ccc(S)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587140137 COSCSBZCWKWQIT-UHFFFAOYSA-N 357.635 5.074 0 1 FKAF Oc1cccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587159022 LBMIBZDQLDETHR-IBGZPJMESA-N 368.795 5.229 0 1 FKAF Cc1ccc2nc(C)c(Cc3c(C)nc4cccc5c4c3CC5)c(Cl)c2c1 587209357 OBRSVTBKMALXRZ-UHFFFAOYSA-N 372.899 6.051 0 1 FKAF Cc1cccc2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355368 USWUWPUPEAXAKX-ISKFKSNPSA-N 374.411 5.040 0 1 FKAF Cc1coc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358237 WFZXNSPKXXSVJD-IFMALSPDSA-N 366.388 5.015 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C)CC(C)(C)C3)c1 587365118 FAKDBBMCDRJNCU-OAHLLOKOSA-N 371.480 6.733 0 1 FKAF CC[C@H]1CC(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587366819 NCKSKKJJGBRRDI-AWEZNQCLSA-N 371.436 5.666 0 1 FKAF COc1cccc(-c2c(CC3CCOCC3)cnc3c2oc2ccccc23)c1 587367670 YLUBVIZNORYGJX-UHFFFAOYSA-N 373.452 5.626 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)ccc(Cl)c1Cl)CC2=O 587462925 SRHFUAABVPBVDZ-OAHLLOKOSA-N 367.228 5.064 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)noc1C)CC2=O 587485171 PYTBFMVDQLKAOR-LJQANCHMSA-N 363.413 5.015 0 1 FKAF O=C1C[C@]2(CCCNc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587499152 HREFOYLNGJDYAY-QFIPXVFZSA-N 367.876 5.285 0 1 FKAF O=C1C[C@H](c2c(F)cccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587502828 BKLXFHPLPZRUGC-QGZVFWFLSA-N 364.338 5.430 0 1 FKAF O=C1C[C@H](c2cc(F)c(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587504307 ITOMPTVMVFNWSK-QGZVFWFLSA-N 365.231 5.718 0 1 FKAF CC[C@]1(c2cc(F)c(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587507648 RQEHBLJDKAYSHZ-OAQYLSRUSA-N 360.375 5.253 0 1 FKAF O=C1C[C@@H](c2cccc(Oc3ccccn3)c2)Oc2c1ccc1c2CCCC1 587513321 CIBMDZPVQQGOJV-QFIPXVFZSA-N 371.436 5.459 0 1 FKAF COc1cc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(C)C 587527557 WVLBPQPNJKHZAN-HSZRJFAPSA-N 364.485 5.712 0 1 FKAF CC(C)(C)Sc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533362 SIFCHOZJZCEWOW-OAQYLSRUSA-N 366.526 6.163 0 1 FKAF CC(C)(C)Sc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587534553 ZYJSHDRBFKCCON-FQEVSTJZSA-N 366.526 6.163 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(C(F)(F)F)cc1 587630319 YOUZHGFHIOIYMO-UHFFFAOYSA-N 355.718 5.519 0 1 FKAF CC[C@@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814887 WNAODQYZZFOTMJ-YJYMSZOUSA-N 362.286 5.084 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587931583 KPLHXALLDUOVIQ-UHFFFAOYSA-N 372.321 5.462 0 1 FKAF CC1(C)[C@@H]2CC[C@@](C)(C2)[C@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962693170 AFRHZRPNHNXLDF-DJDZNOHASA-N 359.554 5.231 0 1 FKAF C[C@]1(Cc2cccc(Cl)c2)c2ccsc2CCN1Cc1ccco1 962701937 FHRIGIUQIVKOAP-FQEVSTJZSA-N 357.906 5.511 0 1 FKAF COc1cccc2c3c(cnc12)CCN[C@]3(CCC1CCCC1)C(C)(C)C 963049880 BNEXUVMMLDBWFP-DEOSSOPVSA-N 366.549 5.601 0 1 FKAF CN(C/C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCCC2 1772635030 KTCZQLBPTDQBPE-FNORWQNLSA-N 369.508 5.824 0 1 FKAF CC1=C(CCc2nn[nH]n2)c2ccccc2/C1=C\c1ccc(C(C)(C)C)cc1 1857616082 QYXBYTOITCTIJW-JCMHNJIXSA-N 370.500 5.458 0 1 FKAF CCCCC[C@@H]1O[C@H](CCCCCCCCCCC(=O)OC)[C@@H](C)[C@H]1C 2356428398 KIBWZJMHKVHAES-CLAROIROSA-N 368.602 6.680 0 1 FKAF COc1ccc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)cc1 6317581 SJTKCKFOQWYBCQ-UHFFFAOYSA-N 368.436 5.471 0 1 FKAF CC(C)CCC[C@H](C)CCC[C@@H](C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 13545972 YSACNAXEZHCMEQ-DVZKKUMJSA-N 365.646 6.127 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)NC(C)C 13797948 WBSLDSCOACRTJM-GKFVBPDJSA-N 360.586 6.450 0 1 FKAF CC(C)=CCc1c(CCc2ccc(O)cc2)cc2c(c1O)C=CC(C)(C)O2 14455459 MFEIBPYIBMVWSL-UHFFFAOYSA-N 364.485 5.576 0 1 FKAF biogenic C/C(=C/CC[C@H](C)/C=C/C=C(\C)CCCc1ccoc1)C[C@@H](O)C(=O)O 14691168 SVMYQJZZVIQHRV-MBFVSLGSSA-N 360.494 5.303 0 1 FKAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2C[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(C)C 27554492 PSDQYGKBECOLJX-HMHRCUFHSA-N 362.554 5.593 0 1 FKAF C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(-c4ccccc4)nc3[C@@H](C)[C@H]21 28645078 JCLIBCWLCJTQSB-REVYWNAUSA-N 367.514 5.064 0 1 FKAF CSc1ccc(Oc2ccc(Br)cc2CN(C)C)cc1 40846268 WPGUQXCZGQYNLZ-UHFFFAOYSA-N 352.297 5.025 0 1 FKAF CC1(C)CC(CCNc2cccc(F)c2)(c2ccccc2)CC(C)(C)N1 72110151 SFZKVBDIDHPWLQ-UHFFFAOYSA-N 354.513 5.506 0 1 FKAF Cc1ccccc1-c1nc(C)c2c(C)nc3c(OC(F)F)cc(F)cc3n12 73159098 OJPMZYKWMBETBC-UHFFFAOYSA-N 371.362 5.215 0 1 FKAF c1ccc(CCNc2cc(-c3cccc(-c4ccccc4)c3)ncn2)cc1 82167816 YQNPXJIHSADSQN-UHFFFAOYSA-N 351.453 5.465 0 1 FKAF CSc1ccc(/C=C2\C=C(CC(=O)OC(C)C)c3cc(F)ccc32)cc1 84727984 GISPKHWWCHLBST-MHWRWJLKSA-N 368.473 5.827 0 1 FKAF CCCCCCOc1cc(NC(=O)N[C@@H](C)c2ccccc2)ccc1OC 95562109 ZPJYRSCOGNMDRK-KRWDZBQOSA-N 370.493 5.537 0 1 FKAF CCC[C@H](C(=O)O)c1c(C)nc2sc(C)cc2c1-c1ccc(C)cc1 113125525 OUJQSMWEYAGFDN-INIZCTEOSA-N 353.487 5.857 0 1 FKAF CCc1nn(-c2ccccc2)c2cc(-c3ccc([C@@H]4CCNC4)cc3)ccc12 147350618 USYFUDSWWLXJIZ-OAQYLSRUSA-N 367.496 5.332 0 1 FKAF CC[C@H]1C(=O)N(C2CCN([C@@H]3CCCc4ccccc43)CC2)c2ccccc21 169341818 AJLIYNOOTFOYSN-NFBKMPQASA-N 374.528 5.069 0 1 FKAF Cc1ccc2c(c1)nc(CCc1nc(C)c3ccccn13)n2-c1ccccc1 169349796 LYGYNRYVCVISDE-UHFFFAOYSA-N 366.468 5.075 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(C)cc(F)c3[nH]2)c1 586879002 NPUQZPPERBEZML-UHFFFAOYSA-N 358.416 5.525 0 1 FKAF Cc1nccc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc12 587015209 GONJBXMKDBIIME-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2c(Cl)cnc(Cl)c2[nH]1 587066853 SRGPVFSMPRYONC-MRVPVSSYSA-N 356.640 5.367 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587070348 SEHUVXAMNMFIPJ-SECBINFHSA-N 367.663 5.900 0 1 FKAF Cc1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cc1Cl 587085611 WSIOYQGRKLMBNX-UHFFFAOYSA-N 355.228 5.302 0 1 FKAF Cc1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1F 587128294 IWCQWXROGOAQHZ-UHFFFAOYSA-N 359.376 5.739 0 1 FKAF CCC[C@]1([C@H](C)CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354050 MNITUDOFYIFEAU-JEWAVWJGSA-N 356.437 5.475 0 1 FKAF CC[C@H](C)[C@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587364838 DHEIWPIDDBVYBO-MAUKXSAKSA-N 371.480 6.733 0 1 FKAF COc1cccc(-c2cc(-c3sccc3N)nc3c2oc2ccccc23)c1 587367017 WJBOHJPXSBUGBD-UHFFFAOYSA-N 372.449 5.967 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C)[C@@H](C)CC3)c1 587367838 XRPULMUQYXUREI-GJZGRUSLSA-N 357.453 6.342 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(Oc3ccccc3)c1)O2 587381663 KWVRFUZMOAPOQT-HXUWFJFHSA-N 363.388 5.215 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)Cc1ccccc1-3)O2 587404372 FPASGPWAQWEIDM-DEOSSOPVSA-N 355.437 5.029 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ccc(Cl)cc13)CC2=O 587462135 NNZHWYNGMLBRIN-IBGZPJMESA-N 355.821 5.186 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(F)(F)F)c1)CC2=O 587464649 VHGIHZXPNGWTFK-QGZVFWFLSA-N 350.336 5.070 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccccc1SC)CC2=O 587491548 KXXSGZIVGBHIMV-OAQYLSRUSA-N 356.487 5.033 0 1 FKAF O=C1C[C@@H](c2cccc(-c3cccnc3O)c2)Oc2c1ccc1c2CCCC1 587518119 BBIKQZVIBIKKIE-QFIPXVFZSA-N 371.436 5.040 0 1 FKAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C)cc(Cl)cc23)cc1 587624996 YDMJQLKBSUEMHL-UHFFFAOYSA-N 351.755 5.688 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccn3)c(C(=O)c3ccccn3)c2c1 587644309 UFRWZIXDWLYOOO-HNNXBMFYSA-N 355.441 5.369 0 1 FKAF Cc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Cl 587784916 WAXOEEPYVLZYBX-FMIVXFBMSA-N 374.871 6.274 0 1 FKAF CCCCC(CCCC)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587819301 LQNCAHBEKZBGJN-BFUOFWGJSA-N 370.350 6.160 0 1 FKAF CC[C@H](C)[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587823951 SPQYTEPIEFGNMY-NGOJXBLDSA-N 368.334 5.554 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C[C@@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587824804 YTXMIYAQMSWPEP-QRDCCXFBSA-N 368.334 5.410 0 1 FKAF CC[C@H](C)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923228 WPBPCCDOCQCDFJ-ZDUSSCGKSA-N 350.462 6.611 0 1 FKAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(Oc5ccccc5)cc4[nH]1)(C3)C2 587970055 XTHALZCTXKZWBO-YVZKWSQKSA-N 358.441 5.002 0 1 FKAF CCCCCc1ccc(C(=O)Nc2ccc3[nH]c(=N)n(C(C)C)c3c2)cc1 1857536499 YMPBSVUJHHEUTQ-UHFFFAOYSA-N 364.493 5.015 0 1 FKAF Cc1cc(N(C)c2ccc3c(c2)c2cc(N)ccc2n3C)c2ccccc2n1 1857614064 KIWYZWWGWJWSNC-UHFFFAOYSA-N 366.468 5.538 0 1 FKAF Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1C1CCC1 1857652369 KEGBUZFZVKXMJD-UHFFFAOYSA-N 352.522 5.144 0 1 FKAF COC(=O)C[C@H](C)CC[C@@]1(C)[C@@H]2C[C@@H](OC)C=C(C)[C@@]2(C)CC[C@H]1C 2356397563 FBXQLGSYECWVHN-IMLMONIGSA-N 350.543 5.390 0 1 FKAF Cc1ccc(-c2cccc(C(=O)NCCc3ccccc3)n2)c2ccccc12 8680108 XNGLXEKHVMBYDZ-UHFFFAOYSA-N 366.464 5.183 0 3 FKAF Clc1cccc(-c2ccc3ncnc(NCc4cccs4)c3c2)c1 36380608 XDDCFDWSERYUBD-UHFFFAOYSA-N 351.862 5.624 0 3 FKAF CCCC[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc(C(C)C)cc2)O1 95571495 GALYNGNUCHMSIQ-XLIONFOSSA-N 358.478 5.394 0 3 FKAF O=C(C1CCCCC1)N1CC[C@H]2C[C@H]1c1cc(N3CCCCC3)ccc12 103115811 WKXYMIIZKYQVJX-AVRDEDQJSA-N 352.522 5.018 0 3 FKAF CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774841 JIULEQWAUNKOLR-LBPRGKRZSA-N 358.825 5.029 0 1 FKAF CC(=O)Nc1ccc2c(/C=C/c3ccc4cc(Cl)ccc4n3)cccc2c1 13560090 DXMUQWKOVWSCPA-VMPITWQZSA-N 372.855 6.170 0 1 FKAF Clc1ccc(OCc2sc3ccccc3c2CN2CCCCC2)cc1 27526902 YIFFWUWGIPXPGW-UHFFFAOYSA-N 371.933 6.120 0 1 FKAF CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)s2)CC1 28472239 GXJHBCUFQMAYSK-UHFFFAOYSA-N 352.478 5.425 0 1 FKAF FC(F)(F)c1cc(-c2ccccc2)nn1-c1ccnc2cc(Cl)ccc12 28568401 PQPDTTAOLPXNEK-UHFFFAOYSA-N 373.765 5.760 0 1 FKAF CCCCCc1nnc(C)c2c(C)n(-c3ccc(OCC)cc3)c(C)c12 28757086 YEHRCHDUUNSBJA-UHFFFAOYSA-N 351.494 5.477 0 1 FKAF CCCCOc1ccc(NC(=S)Nc2ccc(SCCC)cc2)cc1 35001293 FLOBDKYCGGGEJI-UHFFFAOYSA-N 374.575 6.177 0 1 FKAF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cccs1 36474188 GYJMVNLSSDYLEA-UHFFFAOYSA-N 373.953 5.664 0 1 FKAF CC[S@@](=O)c1ccc(-c2coc3ccc(-c4ccc(C)o4)cc23)cc1 45283527 NCGGCRHITOMNJS-VWLOTQADSA-N 350.439 5.796 0 1 FKAF CCCCC(C)(C)[C@@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 59840755 OXOAFCTVSCEACA-SNMIKRDISA-N 366.542 5.140 0 1 FKAF FC(F)(F)Oc1ccc(Nc2cc(-c3ccc4[nH]ccc4c3)ncn2)cc1 64540172 BHEMWXASQSITGI-UHFFFAOYSA-N 370.334 5.267 0 1 FKAF CN(C)[C@@H]1CC=C(c2c[nH]c3ccc(CC(=N)c4cccs4)cc23)CC1 96177594 XTVSKCSLCHZXSY-QGZVFWFLSA-N 363.530 5.337 0 1 FKAF COc1ccc(NC(=S)Nc2nc3c(ccc4ccccc43)s2)cc1 103293698 MVJDWQKRXSWJQE-UHFFFAOYSA-N 365.483 5.267 0 1 FKAF CC1(C)[C@H]2C[C@H]1CC[C@@H]2CNc1cc(Oc2cccc3ccccc23)ncn1 104930743 ONLLDIMFIZFCOL-GGPKGHCWSA-N 373.500 5.906 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)C[C@]34C)[C@@H]1CC=C2c1cncc(F)c1 169268069 ODFCIEVQPDCQMI-PFPCVJQDSA-N 355.497 5.228 0 1 FKAF Clc1cc(Br)cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586883967 FOBCIRRZNXKNKW-FZKQIMNGSA-N 373.681 5.350 0 1 FKAF C(=C\c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)\c1ccsc1 587025087 FZZXQXLJAVEZRF-YVMONPNESA-N 359.479 6.072 0 1 FKAF Cc1cc(Br)c2[nH]c([C@H]3SCCc4sccc43)nc2c1 587037510 WCUUJLSUCKCCQZ-AWEZNQCLSA-N 365.321 5.074 0 1 FKAF c1ccc(Sc2ccc3nc([C@H]4Cc5ccccc5S4)[nH]c3c2)cc1 587041991 RDOZKRUJKFAKRJ-HXUWFJFHSA-N 360.507 6.104 0 1 FKAF Fc1c(Cl)cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1F 587084584 CSPRKAKLCVUWLV-UHFFFAOYSA-N 350.155 5.363 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc(F)c(F)cc3F)nc3cccc1c23 587103230 ISHBOYCWZXEEGZ-UHFFFAOYSA-N 361.322 5.531 0 1 FKAF CC(C)(C)Oc1cc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c(N)cc1F 587135733 CBIFKBKPKMNHLF-UHFFFAOYSA-N 355.457 5.426 0 1 FKAF COc1cc(Cl)ccc1-c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587209324 NNCGLNZHDXEUIP-UHFFFAOYSA-N 371.867 6.329 0 1 FKAF CC(C)n1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587514145 FXQQYLRMIUYMBL-OAQYLSRUSA-N 360.457 5.203 0 1 FKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCCC1 587516189 ZWARQKRIXLZPKB-QHCPKHFHSA-N 361.485 5.181 0 1 FKAF O=C1C[C@H](c2ccc3c(c2)Cc2ccccc2-3)Oc2c1ccc1c2CCCC1 587522734 GRHJZNQGSWPFJT-RUZDIDTESA-N 366.460 5.843 0 1 FKAF CC[C@H](C)c1ccc2[nH]c([C@H](C)NC(=O)OC(C)(C)C)c(C(C)C)c2c1 587642118 JKKDKJKEXNPJLF-GJZGRUSLSA-N 358.526 6.391 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)c(F)c3)c(CN(C)C)c2c1 587642267 MBDLPLSGIJOGGD-AWEZNQCLSA-N 354.469 5.558 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C\c2ccccc2)N1 587815182 KKYGRVSXGQMRCZ-BUQDYYEQSA-N 360.270 5.051 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C[C@H]2c2ccccc2)N1 587816132 URDKEYGAZHQLET-IEGSVRCHSA-N 374.297 5.141 0 1 FKAF CC(C)Cc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923110 PCNFEEBNZCWMNA-UHFFFAOYSA-N 350.462 6.296 0 1 FKAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 587935730 UVFAAXFMSVYWLL-UHFFFAOYSA-N 374.362 5.042 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(F)c(F)c2)(C(C)(C)C)N1 962948900 ORIGCWKAGLIPEI-WNSKOXEYSA-N 368.471 5.660 0 1 FKAF CCc1ccccc1[C@@]1(c2cccc(Cl)c2)NCCc2ccc(O)cc21 963352122 JCEHTHLZIZTLSE-HSZRJFAPSA-N 363.888 5.046 0 1 FKAF CN(C(=O)c1sc2nc(-c3cccs3)ccc2c1N)C1CCCCC1 1857629756 XZOOFQAIOZEDHU-UHFFFAOYSA-N 371.531 5.012 0 1 FKAF CC(C)=CCCC(C)=CCC[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 2356609430 ABWKPQNPNVWXDB-DEOSSOPVSA-N 356.550 6.874 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@H]3CCC4=CN(CC(=O)O)C=C[C]4[C@]3(C)CC[C@H]12 2356865540 NKXDUWNOFBRCSE-CQIJRDABSA-N 356.530 5.401 0 1 FKAF Cc1c(C(=O)N(C)Cc2ccccc2)cc2ccccc2c1-c1ccccc1 13525328 UELDSWZQWLSAOP-UHFFFAOYSA-N 365.476 6.087 0 1 FKAF CC(C)c1ccc(O[C@@](C)(Cc2ccccc2-c2ccccc2)C(=O)O)cc1 13604819 GPSMFTJRDQOPNB-VWLOTQADSA-N 374.480 5.942 0 1 FKAF COc1ccc([C@H]2Sc3ccc(Cl)cc3-n3cccc3C2=O)cc1 13739843 NXHRTAAEAHLYHU-LJQANCHMSA-N 355.846 5.169 0 1 FKAF Cc1ccccc1[C@](O)(CCCN1[C@@H](C)CCC[C@@H]1C)c1ccccc1 40374643 CSEFBNLLZLOJNN-HFMPRLQTSA-N 351.534 5.274 0 1 FKAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)c1cnccc1-2 45196047 NJJWRIIXAACDRY-CVEARBPZSA-N 353.506 6.402 0 1 FKAF COc1cc2c(cc1Cl)CCN[C@@H]2Cc1ccc(Cl)cc1Cl 45259662 KURLGTMWNJTVCR-MRXNPFEDSA-N 356.680 5.085 0 1 FKAF Clc1cccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1 73169957 OXAZPVDJCIJPFP-UHFFFAOYSA-N 371.227 5.801 0 1 FKAF COc1cccc(-c2csc(-c3ccc(C)cc3Br)n2)c1 95561918 JMWWKANCGLZLNE-UHFFFAOYSA-N 360.276 5.557 0 1 FKAF Cc1cccc2cc3c(nc12)SC(Nc1cccc(Cl)c1)=NN=C3 98083628 AHWOVESRUBTVMW-UHFFFAOYSA-N 352.850 5.104 0 1 FKAF CC[C@@H]1CCC[C@@]23CCN(CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 100800687 KAOWEHFUQIEFQN-LZQXYRQZSA-N 353.550 5.190 0 1 FKAF CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)NC(C)C 101250931 IUGPHUFZBTZFMM-XMMPIXPASA-N 374.446 5.691 0 1 FKAF C[C@@H](c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CC(C)(C)C3 147127979 CKQDMLAIFBUVML-LBPRGKRZSA-N 359.300 6.077 0 1 FKAF CN(C)C1(c2ccccc2)CCC(CO)(CCCCc2ccccc2)CC1 204184231 BROMZAHMHRNILO-UHFFFAOYSA-N 365.561 5.409 0 1 FKAF CC(=O)N1CCC[C@@H]2[C@@H](C[C@H]3CCC[C@@H]4C[C@@H](C)C[C@@H](C)N43)C[C@@H](C)C[C@H]21 238731643 HFNMGMIQDABDGI-ZVJILXNOSA-N 374.613 5.091 0 1 FKAF Fc1ccc([C@@H]2C[C@H]3CC[C@@H](S3)[C@H]2c2cc(-c3ccccc3)no2)cc1 254012093 LSHLQBBAJNMIOH-GMQQQROESA-N 365.473 6.016 0 1 FKAF FC(F)(F)C(F)(F)c1cc2[nH]c(-c3ccc(C4CCC4)cc3)nc2cn1 586881285 SFZJMHBFLYVULG-UHFFFAOYSA-N 367.321 5.547 0 1 FKAF Cc1ccc(-c2nc(-c3nc4ccc(Cl)c(C)c4[nH]3)c(C)s2)cc1 587012720 FSJAZBJYDMNIEV-UHFFFAOYSA-N 353.878 5.932 0 1 FKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(OC(C)C)ccc2[nH]1 587066307 KVVQJCANVISIGJ-UHFFFAOYSA-N 365.864 5.770 0 1 FKAF Cc1cc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2cc1F 587074959 CCRITAURIKIVPU-UHFFFAOYSA-N 371.799 5.206 0 1 FKAF Cc1c(-c2nc3ccc4c(c3[nH]2)CCCC4)cnn1-c1ccc(Cl)cc1 587075098 BBRDZLKOJBQFTC-UHFFFAOYSA-N 362.864 5.256 0 1 FKAF Cc1cc(Cl)cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083314 NMSMQCWJRFPQTF-UHFFFAOYSA-N 362.647 6.047 0 1 FKAF CCCCC[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587100387 IRMFEBZNOSYITK-KRWDZBQOSA-N 369.508 6.440 0 1 FKAF Cc1ccc2c(c1O)-c1nc3c(C)ccc4c3c(c1C2)-c1ccccc1C4=O 587102315 VMTYMCXKBWUTDJ-UHFFFAOYSA-N 363.416 5.340 0 1 FKAF O=C1c2ccccc2-c2c(Cc3ccccc3)c(C(F)F)nc3cccc1c23 587104564 YTOBBRGXPKJTLR-UHFFFAOYSA-N 371.386 5.975 0 1 FKAF CC(C)(C)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587208072 YFSCDOIOFJQKOZ-UHFFFAOYSA-N 363.460 6.411 0 1 FKAF COc1cccc(-c2cc(-c3cccn3C)nc3c2oc2ccccc23)c1 587363073 NLTLPOOAZHCZQE-UHFFFAOYSA-N 354.409 5.662 0 1 FKAF COc1cccc(-c2cc(-c3ncccc3C)nc3c2oc2ccccc23)c1 587364557 WPTLDYMJRYFLFE-UHFFFAOYSA-N 366.420 6.027 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)c(Cl)cc1F)CC2=O 587465750 KELZTVKDGSPQFJ-IBGZPJMESA-N 366.791 5.157 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1Nc1ccccc1)CC2=O 587468302 DZRYLDWGEKRNEY-GMAHTHKFSA-N 365.473 5.103 0 1 FKAF O=C1C[C@@H](c2cccc(-c3ccc(F)cc3)c2)Oc2c1ccc1c2CCCC1 587509456 RZXWUJGYZFHOIH-DEOSSOPVSA-N 372.439 6.078 0 1 FKAF Cc1ccc(OCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 587565918 WZRLFEWIMBXTRY-UHFFFAOYSA-N 374.284 5.488 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)c3cccc4ccccc34)c(C(F)F)[nH]c12 587624032 BNFWRNMXQRHXHE-UHFFFAOYSA-N 369.798 6.452 0 1 FKAF O=C(Nc1ccccc1)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587630365 ZIQWRKCHNNTXRF-UHFFFAOYSA-N 356.706 5.232 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)Nc1ccc2ccccc2c1 587631454 MTOWZTBMFZRCJR-UHFFFAOYSA-N 352.796 5.674 0 1 FKAF CC(C)CC[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587809647 ASWBTEGOQVBKAL-BFUOFWGJSA-N 370.350 5.800 0 1 FKAF Cc1ccc(C2CC3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 587818397 RIRYUTPMVZRMBE-CZTOGXCSSA-N 374.297 5.204 0 1 FKAF CC1=CC(C)(C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587819626 WFEBDPKAHDIUAX-KPZWWZAWSA-N 352.291 5.084 0 1 FKAF CCCc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587820072 OOGXSVGWTBVPHQ-HXPMCKFVSA-N 362.286 5.164 0 1 FKAF CC[C@@H](C)c1ccccc1OCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873922 PQLPHLDRNOCRMT-CYBMUJFWSA-N 366.392 5.028 0 1 FKAF Cc1ccc(-c2cc3c(cc2O)CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)cc1 1772621519 MOIAZCOCSFMAMG-AJDBGRLRSA-N 360.497 5.793 0 1 FKAF CCCCC/C=C\C/C=C\[C@@H](C)/C=C\C/C=C\CCCC(=O)NCCO 1857647410 RPETZHYPYCZCDS-RMAGAVIQSA-N 361.570 5.487 0 1 FKAF Cc1ccc(-c2cc(C(=O)Nc3ccccc3C)c3ccccc3n2)cc1C 5943177 WDTWJVCWUATXBY-UHFFFAOYSA-N 366.464 6.079 0 1 FKAF CCCCc1c(C(C)C)nc(C(C)C)c([C@H](C)O)c1-c1ccc(F)cc1 13437765 SGSPDHQGPCJISU-INIZCTEOSA-N 357.513 6.530 0 1 FKAF FC(F)(F)c1ccc(-c2cc(Oc3nccc4ccccc34)ncn2)cc1 14974097 ZUHBJVZDIGOZKR-UHFFFAOYSA-N 367.330 5.503 0 1 FKAF Cc1cccc(-c2ccc(C(=O)N3CCc4c([nH]c5ccccc45)C3)cc2)c1 40866392 RNAWFBYFURAHKK-UHFFFAOYSA-N 366.464 5.342 0 1 FKAF CCc1cnc(-c2cnc(N[C@H](C)CC)nc2-c2ccccc2F)s1 82175963 ZTFIKDOUYVDJSU-GFCCVEGCSA-N 356.470 5.179 0 1 FKAF Cc1ccc([C@@]23Sc4cc(C)ccc4N=C2c2ccccc2C3=O)cc1 84704626 FLFVUJLXVHSBJL-HSZRJFAPSA-N 355.462 5.622 0 1 FKAF FC(F)(F)c1ccccc1Cn1ccc2nc(-c3ccccc3)nc-2c1 100065459 KMLSWQHKGJLUQH-UHFFFAOYSA-N 353.347 5.117 0 1 FKAF COc1ccc(C(=O)[C@H]2C(c3ccc(OC)cc3)=CCc3ccccc32)cc1 169318351 IQHYZNUYZWQBLJ-XMMPIXPASA-N 370.448 5.310 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(Cl)nc(Cl)c2[nH]1 586878377 GGTOPCICKNRDIY-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF Cc1oc2c(c1-c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)C(=O)CCC2 586904405 VGDZPEWGDJCEMD-UHFFFAOYSA-N 368.742 5.323 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587062976 YPDMTMQKHAPWNN-KRWDZBQOSA-N 370.815 5.071 0 1 FKAF Cc1cc(Br)c(-c2nc3cc(Cl)cc(C)c3[nH]2)cc1F 587137738 IUZDHLCUMGUPAH-UHFFFAOYSA-N 353.622 5.402 0 1 FKAF COc1cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2cc1Cl 587145144 JHQPHEPCQIGDDQ-UHFFFAOYSA-N 370.786 5.837 0 1 FKAF Cc1c(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166457 SGEWBWBTHGMDFU-UHFFFAOYSA-N 362.452 5.375 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2cc(Cl)cnc2[nH]1 587241038 OWLZXHFAZJEICO-UHFFFAOYSA-N 350.809 5.031 0 1 FKAF O=C1c2ccc(O)cc2OC2(CC(c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 587355108 SPBOXPOLRFVHBJ-XAHYOPIXSA-N 374.411 5.207 0 1 FKAF CCC1(C)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355774 WAINHBSIILNKKM-RBKXMNCYSA-N 368.448 5.619 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccccc3C)c1)CC2=O 587486020 WRHFEYPDFLNGGW-DEOSSOPVSA-N 372.464 6.027 0 1 FKAF Cc1c(Br)cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501168 WHQODMFZIMTGKO-LJQANCHMSA-N 371.274 5.343 0 1 FKAF O=C1C[C@@H](c2cccn2-c2ccccc2F)Oc2c1ccc1c2CCCC1 587508534 ZDZKZABMVGHNFL-QFIPXVFZSA-N 361.416 5.202 0 1 FKAF CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2ccc([C@H](C)CC)cc12 587639841 DUMMUCMZRAPECX-CYBMUJFWSA-N 355.865 6.179 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Cl)c2)N1 587698672 IXQLYMHJJPBLOG-DYZYQPBXSA-N 368.677 5.039 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCCC(F)(F)F)N1 587708996 GZHAPIPGORVELR-XPTSAGLGSA-N 368.212 5.070 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(F)c2)N1 587724007 DIHZOKOVZBKDNU-ZKANADHPSA-N 372.640 5.004 0 1 FKAF COc1cccc(OCc2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)c1 587780957 NHWUXUHYBJAZQB-UHFFFAOYSA-N 358.441 5.434 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C=C2CCCCC2)N1 587815664 OMRUCGFCHXDEII-KZULUSFZSA-N 352.291 5.228 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2coc3ccccc23)N1 587827571 KOWYKHLZVHNNAG-WYRIXSBYSA-N 374.253 5.132 0 1 FKAF COc1cccc(C(=O)c2ccc(-c3nc4c(C)c(C)ccc4[nH]3)cc2)c1 587932924 RXCBFAWIVGYOBM-UHFFFAOYSA-N 356.425 5.086 0 1 FKAF CCC[C@@H](c1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(C)C 587955290 MNACWSPMARKNSV-GFCCVEGCSA-N 353.304 5.652 0 1 FKAF Cc1cccc(-c2cccc(-c3noc(Cc4c[nH]c5ccccc45)n3)c2)c1 653706017 OAVHUARNXZTWIV-UHFFFAOYSA-N 365.436 5.784 0 1 FKAF CCC(CC)c1ncc([C@H]2N[C@H](CC)Cc3c2[nH]c2ccccc32)s1 962962554 YAKGWZJQYSVADV-JLTOFOAXSA-N 353.535 5.542 0 1 FKAF COc1ccc2cc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)ccc2c1 963113538 RMRGQTAIDYJEHU-FQEVSTJZSA-N 358.268 5.390 0 1 FKAF O=C(O)c1ccc(Nc2nc(-c3ccc4sccc4c3)cs2)cc1 1857601353 HGWOFJVGHNLNGG-UHFFFAOYSA-N 352.440 5.467 0 1 FKAF O=C(O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)C1CCCCC1 1857603057 BNIFMKXARDHDNA-QGZVFWFLSA-N 367.276 5.055 0 1 FKAF CC(C)=CCCC(C)=CC=C[C@]1(C)CCc2c(c3ccccc3oc2=O)O1 2356648610 JNURFPIUZYYCNC-XMMPIXPASA-N 364.485 6.126 0 1 FKAF CC(=O)OC=C1C[C@H](C)[C@](O)(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]12 2356773546 BYUMYSPTNUHTMR-CISPJPAASA-N 374.521 5.263 0 1 FKAF Brc1ccc2nc(-c3ccccc3)c(Cc3ccsc3)n2c1 72121970 NLGCWPMVITZXOL-UHFFFAOYSA-N 369.287 5.416 0 3 FKAF CC(C)(CCCCCc1sccc1CCCc1ccccc1)C(=O)O 1533882 QMXLXSYXJOJQSN-UHFFFAOYSA-N 358.547 6.137 0 1 FKAF investigational COc1cc(C(=O)O[C@@H]2CC(C)=C3CC=C(C)[C@H]3C[C@@H]2C(C)C)ccc1O 5645193 YDLFKPPITJZFOQ-SFHLNBCPSA-N 370.489 5.275 0 1 FKAF biogenic CC[C@@]1(c2ccccc2)Oc2cc3ccccc3cc2-n2cccc2C1=O 5846271 SYSCETALAQDPEZ-DEOSSOPVSA-N 353.421 5.511 0 1 FKAF CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13863316 BVLBVQUFUDMCEW-NRFANRHFSA-N 374.484 5.964 0 1 FKAF CC[C@@H](C)Nc1nc2ccc(-c3ocnc3-c3ccccc3F)cc2s1 29041799 DQNOLGWQCCASLA-GFCCVEGCSA-N 367.449 5.968 0 1 FKAF CCCCc1ccc(-c2cc(C(=O)O)cc(-c3ccc(Cl)cc3)n2)cc1 29416750 NVBCATDOLBSLLJ-UHFFFAOYSA-N 365.860 6.110 0 1 FKAF aggregator Fc1ccc2[nH]cc(C3CCN([C@H]4Cc5cccc6cccc4c56)CC3)c2c1 36221528 KSNSVNQHQZZXOD-DEOSSOPVSA-N 370.471 5.937 0 1 FKAF Cc1[nH]c(C)c(-c2ccc(CCc3ccc(F)cc3F)cc2)c(=O)c1Cl 45229247 QOJSZFCSTDTFRK-UHFFFAOYSA-N 373.830 5.376 0 1 FKAF CCOC(=O)c1sc2c(c1C)[C@@H](c1cccs1)C1=C(O)CCCC1=N2 102710451 ZYQDQCQYVMWGED-MRXNPFEDSA-N 373.499 5.509 0 1 FKAF c1cncc(CN2CCCc3ccc(-c4csc5ccccc45)cc3C2)c1 473131334 OUIYQRYTMPYCJH-UHFFFAOYSA-N 370.521 5.912 0 1 FKAF CCc1ccc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)cc1CC 586878127 ABGBAIWKOJALKQ-UHFFFAOYSA-N 357.295 5.734 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCCCCCCC3 586989544 AZWYFHZCTYSCES-UHFFFAOYSA-N 357.453 5.591 0 1 FKAF CCCc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586991730 PVYMSSJVEKZFCO-UHFFFAOYSA-N 365.432 5.771 0 1 FKAF Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1 586992314 VKQBIBJHMMOGMK-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1cc(F)ccc1C4)-c1ccccc1C2=O 586995684 NHWVPKNFHGSTKV-UHFFFAOYSA-N 351.380 5.465 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(Cl)nc2[nH]1 587014696 OWUJTPBIBVKUPK-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF Cc1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 587054850 CMQYKMVQCKTGNH-UHFFFAOYSA-N 373.239 6.017 0 1 FKAF Fc1c(F)c(F)c2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2c1F 587076957 ODRKACSELYAQSX-UHFFFAOYSA-N 354.734 5.243 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587085230 NUNKBIMTAULGHU-UHFFFAOYSA-N 362.864 5.638 0 1 FKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccnc(Cl)c3[nH]2)cc1F 587152364 ZLQOHYGBSMBSFP-KRWDZBQOSA-N 371.774 5.058 0 1 FKAF Cc1cc(Cl)cc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587168510 YPWUUTHMESZRHS-MRXNPFEDSA-N 372.831 5.033 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)CCCC4)nc3cccc1c23 587207978 PHOGYIKZEJBILR-UHFFFAOYSA-N 361.444 5.992 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2C[C@@H](C3)C2(C)C)c1 587367419 PSMBANWUCIOZLQ-DNVCBOLYSA-N 369.464 6.342 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1C(C)C)O2 587378547 VGAIDNMVKIEALN-GOSISDBHSA-N 374.278 5.170 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1csc(-c3ccccc3)n1)CC2=O 587497334 VOQCZUWJQMGTEK-LJQANCHMSA-N 365.454 5.175 0 1 FKAF Cc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504306 QXHJPYDMRNLESW-IBGZPJMESA-N 371.274 5.343 0 1 FKAF O=C1C[C@H](c2ncc(-c3ccccc3)s2)Oc2c1ccc1c2CCCC1 587535500 LSHNXWKKGLXTAV-LJQANCHMSA-N 361.466 5.395 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCCCCCCCC2 587602958 KDPQUDOAWVRDDF-HXUWFJFHSA-N 366.457 5.617 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)Cl)c(-c3ccc(F)cc3)[nH]c12 587624927 WIZJCMBMOVIKTM-UHFFFAOYSA-N 372.173 5.950 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1[C@@](O)(c1ccccc1)C(F)(F)F 587630226 WJYYGPQEXMPCGC-INIZCTEOSA-N 357.734 5.067 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2F)N1 587713198 BSXMPRLSCZUAOB-VPTHRUTESA-N 372.640 5.004 0 1 FKAF CC(C)=CCC/C(C)=C\[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821454 VDDZJNABHFXLAN-AMHCJQIMSA-N 366.318 5.856 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C)cc(Br)c2[nH]1 587949980 HOMYJKBCOWFYMF-KFNAQCHYSA-N 365.315 5.680 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cc3ccccc3n2C)n1 653667753 VELFJXLLKMLVSY-HXUWFJFHSA-N 368.484 5.433 0 1 FKAF C1=CC=C([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)CC=C1 963832348 OOSVXGXKGHCOHC-DEOSSOPVSA-N 368.480 5.376 0 1 FKAF COP(=O)(OC)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 1857656631 OHAYSLNFGLLXKE-UHFFFAOYSA-N 354.346 5.225 0 1 FKAF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@@]3(C)O)C(C)=CC[C@@H]12 2356359653 PNRUVGYCBDDNBW-GGHBYBEPSA-N 370.577 5.874 0 1 FKAF CCCCCC=CC=C[C@H](O)CC=CCC=CCC=CCCCCC(=O)O 2356421821 WCPFNHAOKQUJEV-QHCPKHFHSA-N 374.565 6.524 0 1 FKAF COc1ccc(-c2nc(Nc3cccc(OC)c3)c3ccccc3n2)cc1 5658302 KJEUQFPLDBBMBM-UHFFFAOYSA-N 357.413 5.058 0 1 FKAF Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)[C@@H](O)C2(C)C 38214970 VWTXAIVZMCQYKU-FQEVSTJZSA-N 368.908 5.639 0 1 FKAF CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C=C[C@@H]1c1ccccc1 52566339 LACDEMZVQFKJDD-LJQANCHMSA-N 353.849 5.295 0 1 FKAF COc1ccc(C(=O)N2c3ccccc3Sc3ccc(OC)cc32)cc1 72107485 NICSWFSRGKZRGI-UHFFFAOYSA-N 363.438 5.147 0 1 FKAF Fc1ccc(CCCCN2CCCN(c3ccc(Cl)cc3)CC2)cc1 73197118 FVMDOYQNOWAVCQ-UHFFFAOYSA-N 360.904 5.014 0 1 FKAF COc1ccc(Oc2cc(NCc3cccc4ccccc34)ncn2)cc1 82067807 OCNLEMQZCAAFRU-UHFFFAOYSA-N 357.413 5.043 0 1 FKAF CCCCCCCCCCCCCC[C@@H]1C(=O)O[C@@H](C)[C@@H]1OC(C)=O 85966516 GOOFLQFKCQQJMT-IHPCNDPISA-N 354.531 5.571 0 1 FKAF biogenic O=C(c1ccccc1-c1ccccc1)N1CCc2c([nH]c3ccccc23)C1 140812199 UCWAWBWZKYMCRY-UHFFFAOYSA-N 352.437 5.033 0 1 FKAF COc1cccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)c1 169326129 ZNPMPVBLJKHNSN-UHFFFAOYSA-N 364.376 5.395 0 1 FKAF O=C(Nc1cc2ccc(-c3c(F)cc(F)cc3Cl)cc2cn1)C1CC1 169700098 ARIUDROBLRPSSD-UHFFFAOYSA-N 358.775 5.182 0 1 FKAF FC(F)(F)c1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Cl 586885468 VBSHEMWWXMUCDS-IJZKUYQOSA-N 354.803 5.703 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Cl)cnc2[nH]1 587014154 HOVPULGGMVXODF-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(Br)cc(C)c4[nH]3)cs2)o1 587016993 QMADQOOBQFGRRJ-UHFFFAOYSA-N 374.263 5.326 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4c(C)cccc4[nH]3)cc2)n1 587022402 WTSRVJREVRDYNX-UHFFFAOYSA-N 351.500 5.596 0 1 FKAF Fc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587040579 OMDVLLGQFJIJSF-UHFFFAOYSA-N 361.445 5.547 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 587069985 NTUKZFFJRQEMTG-SECBINFHSA-N 351.208 5.385 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccnc2[nH]1 587072278 QGCBNQMBCVUTIG-JYESXXLSSA-N 358.272 5.631 0 1 FKAF Cc1ccc(C)c(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)c1 587099343 FINKREKBPZUJQQ-UHFFFAOYSA-N 363.460 6.347 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](C1=CCCCC1)CCC3 587207566 NLUWZCFNTQQCCZ-QGZVFWFLSA-N 365.476 6.367 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C)C(=O)CC3)c1 587366803 NBOJAZLHDXPAIU-CYBMUJFWSA-N 357.409 5.275 0 1 FKAF CCCCCCOc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401162 QMOJXZHDHJELGU-OAQYLSRUSA-N 353.462 5.243 0 1 FKAF CC(C)(C)[C@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587500322 BCHLSCBNOKPPIT-HSZRJFAPSA-N 352.449 5.611 0 1 FKAF O=C1C[C@]2(CCCOc3cc4c(cc32)CCC4)Oc2c1ccc1c2CCCC1 587530097 AZBKDSJQBVVDSO-VWLOTQADSA-N 374.480 5.087 0 1 FKAF Cc1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547185 LCESTTNWTHXQPK-WIYYLYMNSA-N 366.800 5.057 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 587628464 LIFMGYZEQXQRQY-UHFFFAOYSA-N 352.192 5.458 0 1 FKAF O=C(O)c1cccc2c(-c3ccccc3F)c(Cc3ccccc3F)[nH]c12 587638317 WSNYOSMNSLMWCZ-UHFFFAOYSA-N 363.363 5.402 0 1 FKAF CCOC(=O)c1c(-c2ccc(F)c(C)c2)[nH]c2ccc([C@H](C)CC)cc12 587641838 KJFHGNZEVBXJFS-CYBMUJFWSA-N 353.437 5.973 0 1 FKAF CC/C(=C\c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(C)cc1 587965612 CFRNJYQNUXTDDR-CSKARUKUSA-N 366.774 5.236 0 1 FKAF Fc1ccccc1-c1ccc([C@H]2c3c(F)cccc3C[C@H]3CCCN32)s1 963094279 CGQLQSPQBYHSBU-QRQCRPRQSA-N 367.464 5.803 0 1 FKAF CCc1c([C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)oc2ccc(C)cc12 963102875 GFUKUHRMTJNQAR-XDHUDOTRSA-N 363.476 5.727 0 1 FKAF CCCCCc1cc(O)cc(C[C@@H]2CCC[C@H]([C@@]3(C)C=CC[C@@H](C)C3)C2)c1 2356371576 LVMUEERNEAZUSV-IDUITOIPSA-N 368.605 7.466 0 1 FKAF CCCCCn1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1C(C)(C)C 2382251697 BPPWXNZELNDCBF-UHFFFAOYSA-N 371.569 5.069 0 1 FKAF COc1ccc(CCN(C)CCCn2c3ccccc3c3ccccc32)cc1 1906856 KRPJRSKNMKEXQB-UHFFFAOYSA-N 372.512 5.368 0 1 FKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCS1 3610638 PZDFHHSXZRIAEF-HUUCEWRRSA-N 360.563 6.731 0 1 FKAF C=C1OC(=O)C(CCCCCC/C=C\C/C=C\C/C=C\CCO)=C1OC 15274062 QFJHTSVAVAZSBZ-SROLTFPKSA-N 360.494 5.129 0 1 FKAF CCCC[C@]1(O)CCN2C[C@@H](c3ccc(Cl)cc3Cl)CC[C@@H]2C1 29464292 BGGZDLQOLSQXLA-GMBSWORKSA-N 356.337 5.257 0 1 FKAF CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(OC(C)=O)c1O 42988722 NQWZDPKQSSITCN-GHRIWEEISA-N 374.521 5.991 0 1 FKAF Cc1ccc(N(Cc2nc3ccccc3[nH]2)Cc2ccccc2Cl)cc1 96922632 OZOBIMHXHYDJDF-UHFFFAOYSA-N 361.876 5.732 0 1 FKAF c1ccc(-c2cccc(-c3cnc4ccc(-c5ccsc5)cn34)c2)cc1 96927442 CQTLRPKYPWEYCL-UHFFFAOYSA-N 352.462 6.397 0 1 FKAF CC(C)(C)C1=NN(c2ccc(C(F)(F)F)cc2)[C@@H](c2ccc(O)cc2)C1 299832918 UPXOKDCKOSAUBE-QGZVFWFLSA-N 362.395 5.765 0 1 FKAF c1ccc2c(c1)oc1ccc(Cc3cncc4cc5c(cc34)OCCO5)cc12 584615449 IUVUVBMGAXQCLI-UHFFFAOYSA-N 367.404 5.496 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc(F)c3F)nc3ccc(O)c1c23 586989125 XVLFIAZGMVNNQW-UHFFFAOYSA-N 359.331 5.097 0 1 FKAF Cc1ccc2c(ccc3nc(-c4coc(-c5ccccc5Cl)n4)[nH]c32)n1 587061297 URHQPNDWAXHDFI-UHFFFAOYSA-N 360.804 5.395 0 1 FKAF Cc1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587071645 MGBNPXWQZHRUQR-RSZMZCDYSA-N 371.311 6.544 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](C(F)(F)F)C3 587102646 CKSWFMJXLBEOEK-LLVKDONJSA-N 353.343 5.113 0 1 FKAF Cc1cnc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc2c1 587141394 QHCHASUWSXLZAI-UHFFFAOYSA-N 367.424 5.504 0 1 FKAF Fc1cc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2cc1C(F)(F)F 587151995 JJAQKLALKACQSO-IUCAKERBSA-N 356.269 5.270 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587154991 IBPKTVCQXXCITF-AWEZNQCLSA-N 356.294 5.390 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587161754 CKFYMSZLNYOTBO-MOPGFXCFSA-N 360.457 6.124 0 1 FKAF CCc1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587162158 DRUCRGBTDCSULU-UHFFFAOYSA-N 359.404 5.184 0 1 FKAF Cc1cc(Cl)cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587162940 DBFMAHVPPZBEDE-MHWRWJLKSA-N 368.864 6.314 0 1 FKAF O=C1c2ccc(O)cc2OC2(C3CCCC2CCC3)[C@H]1c1ccc(F)cc1 587351582 KFXPINGHERGNPG-KWDKSXIYSA-N 366.432 5.229 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccccc3)c(C)c1)O2 587403986 SKWLJKPVRIKHKC-JOCHJYFZSA-N 359.425 5.384 0 1 FKAF CCOc1ccc(Cl)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587499447 JGCYWAPOZPWATJ-JOCHJYFZSA-N 370.876 5.498 0 1 FKAF O=C1C[C@H](c2cc(F)ccc2OCC2CC2)Oc2c1ccc1c2CCCC1 587502077 IDKSQUMRNBFNME-JOCHJYFZSA-N 366.432 5.200 0 1 FKAF Nc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1-2 587507270 BSGNJOHJPPBZGT-RUZDIDTESA-N 367.448 5.037 0 1 FKAF C[C@@]1(c2cc(Cl)sc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587531495 LGBXVAWARUIKRA-SFHVURJKSA-N 367.297 5.814 0 1 FKAF C[C@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 587627920 FSGODYOAMXJUOS-QMMMGPOBSA-N 352.192 5.469 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587951857 JACCESAAUIXLHX-WQGACYEGSA-N 372.456 6.221 0 1 FKAF Clc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2nc1Cl 587955452 JFTGMCQAVQGMMC-OAHLLOKOSA-N 368.267 5.639 0 1 FKAF CC/C(=C/c1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(C)cc1 587966552 IXLNFGZMAPSZED-SDXDJHTJSA-N 370.521 6.973 0 1 FKAF FC(F)(F)Sc1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587967555 IBVHYPCREJEKIJ-FLIBITNWSA-N 370.399 6.498 0 1 FKAF Fc1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1Br 587970191 ZRVZBBBHPLECDI-FLIBITNWSA-N 367.221 5.788 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(C)(C)C)c1cccc(OC)c1 963235039 FKACSGZNTCKJKS-KBMIEXCESA-N 365.561 6.032 0 1 FKAF COc1ccc(-c2cc(C(C)=O)c3[nH]c(-c4ccc(F)cc4)cc3c2)cc1 1857609532 GMCCGTBMGOJOJI-UHFFFAOYSA-N 359.400 5.852 0 1 FKAF CC1=CCCC(C)(C)[C@@H]1Cc1cc(C=Cc2cc(O)cc(O)c2)ccc1O 2356436445 MEWJXXAKBKFVOS-JOCHJYFZSA-N 364.485 5.899 0 1 FKAF CC(=O)OCC=C(C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)O)[C@@H]2CC[C@@H]1C 2356616965 MHVXKXKLJNXBPK-NHRGSCSFSA-N 362.510 5.140 0 1 FKAF CN[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1 5763286 NLOJUKSOUNWUSW-HLSPMNIASA-N 360.630 5.183 0 1 FKAF CC1=CCCC(C)(C)[C@@H]1Cc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O 14825137 MEWJXXAKBKFVOS-XYXUZSOXSA-N 364.485 5.899 0 1 FKAF C=C[C@](C)(O)CCC1=C(C)CC[C@H]2C(C)(C)[C@H](Br)CC[C@]12C 14861010 ANWHCRZHFKQLIE-KVPLUYHFSA-N 369.387 6.020 0 1 FKAF biogenic CCCS[C@H]1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 27079366 GKVFDSTWCKBSBV-OAQYLSRUSA-N 369.505 6.634 0 1 FKAF CC(C)C[C@@H]1CN2C(=NC[C@H]2C2CCCCC2)N1CCCC1CCCCC1 27201225 HTFJOMKEAGRTSJ-PKTZIBPZSA-N 373.629 5.698 0 1 FKAF CC1(C)C[C@H](NC(=S)Nc2ccccc2Cl)c2cc(F)ccc2O1 40893946 MVSPVXRQYUJBGF-HNNXBMFYSA-N 364.873 5.068 0 1 FKAF CC[C@H](C)Nc1cc(-c2nc3ccccc3nc2-c2ccc(F)cc2)ccn1 45252941 GOHDKZNWABSQCM-HNNXBMFYSA-N 372.447 5.708 0 1 FKAF COc1ccc2[nH]cc([C@@H](c3ccc(C)cc3)N(C)c3ccccc3)c2c1 71334230 KNBBFBWTFCAUNZ-XMMPIXPASA-N 356.469 5.711 0 1 FKAF COc1cccc(C(=O)N2c3ccccc3Oc3ccc(Cl)cc32)c1 72110212 CDFFUKVXMJQWFY-UHFFFAOYSA-N 351.789 5.433 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(SC(F)(F)F)cc2)n1 72181911 BOGUTLXLPFSCDU-CYBMUJFWSA-N 372.456 6.012 0 1 FKAF CC1=C[C@H]2c3c(O)cc(CCCCC(F)(F)F)cc3OC(C)(C)[C@@H]2CC1 87722500 HYLCCTSXTJQKBY-HZPDHXFCSA-N 368.439 6.278 0 1 FKAF Cc1c(Cl)ccc2cc3c(nc12)SC(Nc1ccccc1F)=NN=C3 98081991 BAWCOPPROTXASJ-UHFFFAOYSA-N 370.840 5.243 0 1 FKAF Clc1ccc(COC2(c3ccc(Cl)cc3)C[C@H]3CC[C@H](C2)N3)cc1 101300619 MHCNDBUONARPSD-RTBURBONSA-N 362.300 5.320 0 1 FKAF CN1[C@H]2CC[C@@H]1C[C@H](O[C@@H](c1ccccc1)c1ccc(C(C)(C)C)cc1)C2 103267898 IGNVGOLMZFBAMQ-KEZOAJOQSA-N 363.545 5.715 0 1 FKAF COc1cccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1 142946408 IKXJOEAHXPIXTE-UHFFFAOYSA-N 366.424 5.530 0 1 FKAF Cc1ccc2c(c1)CCCN2C(=O)c1sc2cccc(C)c2c1Cl 144736353 HWHCCMJVDOXVCD-UHFFFAOYSA-N 355.890 5.765 0 1 FKAF CC(C)COc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1 169325726 WRPCMMUXHGQTKF-UHFFFAOYSA-N 352.455 5.387 0 1 FKAF Cc1ccc2c(c1)CCCN2C(=O)c1sc2cccc(F)c2c1Cl 204928323 FFTBTAVHSPXQQV-UHFFFAOYSA-N 359.853 5.595 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586883394 IXZZRZZVWIEFIC-ZEMPLXOASA-N 356.469 5.262 0 1 FKAF CC(C)c1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(O)c(C(C)C)c1 586895998 FUUYHCATMPTZQL-UHFFFAOYSA-N 362.395 6.201 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 586896829 QWCRQFRCESVGNB-UHFFFAOYSA-N 370.330 5.501 0 1 FKAF Cc1c(-c2ccnc(Cl)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586991825 AZJBFZWTOWNMJH-UHFFFAOYSA-N 370.839 5.778 0 1 FKAF CC(C)Oc1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587015492 FQIGDDHCSPILMT-UHFFFAOYSA-N 369.877 5.794 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2c1 587077657 WIVJMVREDWNIJC-UHFFFAOYSA-N 368.761 5.844 0 1 FKAF Nc1ccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(C(F)(F)F)c1 587095626 NMFIMYXVNUXETM-UHFFFAOYSA-N 369.346 5.623 0 1 FKAF CC/C=C\CCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587101941 XONSGEJLDKCBSG-PLNGDYQASA-N 355.481 6.434 0 1 FKAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc3ccccc3cc2[nH]1 587109411 OTVKSIBAFXZZHB-UHFFFAOYSA-N 356.303 5.100 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cccc(F)c3[nH]2)c1 587159742 WIYSKKJQWQKFQD-UHFFFAOYSA-N 350.368 5.108 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(F)c(F)cc4[nH]3)c2)c1 587160081 FTBQCCPQHIQYPU-UHFFFAOYSA-N 354.331 5.323 0 1 FKAF CCC[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352453 JHJWLVAHNUYZNE-QPJICYPMSA-N 354.421 5.229 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1cccc4c1sc1ccccc14)[C@@H](C2)C3=O 587450083 DGNHYAUDORMZSU-HTAPYJJXSA-N 372.445 5.552 0 1 FKAF O=C1C[C@@H](c2nc(-c3ccccc3)cs2)Oc2c1ccc1c2CCCC1 587535117 IJERLIDVVVNDON-FQEVSTJZSA-N 361.466 5.395 0 1 FKAF Cc1cc(C)cc(OCc2nc3cc(Cl)cc(Br)c3[nH]2)c1 587564360 JRLVAIPCUSWQGU-UHFFFAOYSA-N 365.658 5.175 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(Br)cc1F 587629465 QYTWQPJUIVDRSE-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF Fc1cccc2[nH]c(Cc3ccc(Cl)cc3)c(CCc3ccccc3)c12 587633105 SBHOHFHINWQUIP-UHFFFAOYSA-N 363.863 6.336 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c([C@@H](C)NC(=O)OC(C)(C)C)c(CCOC)c2c1 587641900 IJDFTUVDPIKECW-HUUCEWRRSA-N 374.525 5.456 0 1 FKAF CC[C@H](C)c1ccc(NC(=O)c2c(C)[nH]c3ccc([C@@H](C)CC)cc23)cc1 587642913 PXYAJIABPCRMNM-HOTGVXAUSA-N 362.517 6.756 0 1 FKAF Cc1cccc(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815669 OMXUUGBYBZJZFV-ORAYPTAESA-N 362.286 5.003 0 1 FKAF Cc1ccccc1C1CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587817306 JTUVSXBRKLUBPG-LMVFOVOHSA-N 374.297 5.204 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CC3CCC2CC3)N1 587819083 KXVAJPNSFYDGON-SVPGUONWSA-N 366.318 5.164 0 1 FKAF CC(C)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587821057 SQKVKTBAPKIVOI-HXPMCKFVSA-N 362.286 5.335 0 1 FKAF O=C(CSCc1ccccc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587876329 NRESSRJAWUUYBJ-UHFFFAOYSA-N 374.824 5.022 0 1 FKAF C/C(=C/c1nc2cccc(I)c2[nH]1)C1CCCCC1 587967087 GXNLFYPEWNLIAR-KHPPLWFESA-N 366.246 5.151 0 1 FKAF C[C@]1(c2ccc(O)c3ncccc23)NCCc2cccc(-c3ccccc3)c21 962670553 RHMDGCJIVVMPMG-RUZDIDTESA-N 366.464 5.017 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cc3cc(O)ccc3s2)N1 962956535 YIPWKKGYVSJFMK-PEBXRYMYSA-N 362.498 5.276 0 1 FKAF CCCc1sc([C@H]2NCCc3cc(Cl)ccc32)cc1Br 963381075 OULDQOQAHATFRR-INIZCTEOSA-N 370.743 5.352 0 1 FKAF CCC=CCC=CCC=CCC=CCC=CCCCc1cc(O)cc(O)c1 2356610014 RSALAWVRGTZYEZ-UHFFFAOYSA-N 366.545 7.172 0 1 FKAF COc1ccc(C=C(CCCN2CCCCC2)c2ccc(OC)cc2)cc1 2356874990 ZXYRJSONMMEXEV-UHFFFAOYSA-N 365.517 5.511 0 1 FKAF O=C(O[C@@]12CCCN(C1)/C(=C/c1ccc(Cl)cc1)C2)C1CCCCC1 96018939 KROOORWNNMEDIT-UBXANZILSA-N 359.897 5.043 0 3 FKAF CCCC[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3cccc(F)c3)C2)[C@H]2CCCCN12 203468271 NLGXZKDMUNJFNH-YNUHATHGSA-N 374.500 5.196 0 3 FKAF Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1 3814669 CFMPDXYFWIFIRY-UHFFFAOYSA-N 358.409 5.011 0 1 FKAF CN(C)CC[C@H](OC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1 13684972 RKDJEJLCQXYZOG-NRFANRHFSA-N 367.876 5.343 0 1 FKAF COC1(c2cccc(OCc3ccc4ccccc4c3)c2C)CCOCC1 13725450 NIMSKIKBLQYWBG-UHFFFAOYSA-N 362.469 5.379 0 1 FKAF CC[C@H](C)c1ccc(N(C)C(=N)N(C)c2ccc([C@@H](C)CC)cc2)cc1 13780668 LHPVHVWOZRZKAI-ROUUACIJSA-N 351.538 6.221 0 1 FKAF CC[C@@H](Nc1ncnc2ccc(-c3c(C)noc3C)cc12)c1ccccc1 13828588 LWLCGOSCHJPTQG-LJQANCHMSA-N 358.445 5.465 0 1 FKAF Cc1nn(C(=O)C2(c3ccc(Cl)cc3)CCCC2)c2c1[C@@H]1[C@H](C2)C1(C)C 16040494 DPHIZSSZIKDKFW-LPHOPBHVSA-N 368.908 5.293 0 1 FKAF biogenic CCCN(CCC)[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 29486286 LBQHPPISBXXENG-WIYYLYMNSA-N 362.344 6.692 0 1 FKAF COc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccccc3)c3ccccc32)cc1 40897527 NBZOYKBEWQYQCV-HXOBKFHXSA-N 372.468 5.145 0 1 FKAF O=C(O)c1ccccc1Nc1ccc(CCc2ccc(F)c(F)c2)cc1 40935499 JXMJUVIMCOZQNT-UHFFFAOYSA-N 353.368 5.192 0 1 FKAF CCNC(=O)CC1=C/C(=C/c2ccc(SC)cc2)c2ccc(F)cc21 71296800 NWCDEVPOADRSSY-GDNBJRDFSA-N 353.462 5.011 0 1 FKAF Cc1ccc(CNc2nc(NCc3ccc(C)cc3)c3ccccc3n2)cc1 72183081 RSECDCWURJAUPV-UHFFFAOYSA-N 368.484 5.471 0 1 FKAF O=C(O[C@H](Cn1ccnc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 73199938 RYYLZOUXUDQNJZ-HSZRJFAPSA-N 368.436 5.148 0 1 FKAF CC(C)N(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2cc(Cl)ccc2n1 84688099 JHKSCJYXNSUFJV-UHFFFAOYSA-N 374.271 5.084 0 1 FKAF CC(C)c1ccc(/C=C/C(=O)Nc2ccnc3cc(Cl)ccc23)cc1 84713122 DQUFEXPOFYGTFS-BJMVGYQFSA-N 350.849 5.664 0 1 FKAF CCCCCOc1ccccc1-c1cc(C(=O)Nc2ccccc2)no1 96913502 ZQTDNXLQNAYLMA-UHFFFAOYSA-N 350.418 5.163 0 1 FKAF Cc1cc(C(=O)O[C@@H]2Cc3cccc4cccc2c34)ccc1Br 98084810 QPYZLTLQGISONP-GOSISDBHSA-N 367.242 5.365 0 1 FKAF Clc1ccc(-c2nncn2-c2ccc3nc(-c4ccccc4)oc3c2)cc1 103290529 FKEXLJLRMFVIAP-UHFFFAOYSA-N 372.815 5.396 0 1 FKAF Cc1nc(-c2ccccc2)sc1-c1ccn2ncc(-c3ccccc3)c2n1 140860428 ZDLFIZVYMPDPPU-UHFFFAOYSA-N 368.465 5.495 0 1 FKAF C1=CCSC(C2=CC=C(c3ncncc3/C=C/c3ccccc3)CS2)=C1 169327632 UOQLMEKUAIGZSO-MDZDMXLPSA-N 374.534 5.848 0 1 FKAF CO[C@@H]1CCC[C@@H](c2cc(N)c3c(c2)OC(C)(C)C2=C3C[C@H](C)CC2)C1 299849153 SDLGIEWKBSPTDG-BFYDXBDKSA-N 355.522 5.686 0 1 FKAF Clc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1Cl 587018312 YPXYIXMFMGRBPL-UHFFFAOYSA-N 350.230 5.177 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(CCO)cc2[nH]1 587073406 DZHFLACGKHEYRU-UHFFFAOYSA-N 362.860 5.394 0 1 FKAF Cc1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1Br 587087184 IRYBDLVKNSACLE-UHFFFAOYSA-N 360.642 5.436 0 1 FKAF Cc1ccc2c3c(cc(CN4CCCCCC4)nc13)-c1ccccc1C2=O 587095928 AFLSXQGHMCMUFM-UHFFFAOYSA-N 356.469 5.131 0 1 FKAF FC(F)(F)Sc1ccc(/C=C\c2nc3cc4cn[nH]c4cc3[nH]2)cc1 587124176 IYIZPUMKQQTHMS-UTCJRWHESA-N 360.364 5.222 0 1 FKAF CC(C)[C@H](c1nc2cccc(C(F)(F)F)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197601 JYMAZAKMKJMPJG-CQSZACIVSA-N 371.403 5.146 0 1 FKAF CCCCC[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587206714 HCDMBDUORHGLRL-MRXNPFEDSA-N 355.481 6.131 0 1 FKAF Cc1cncc(Oc2ccc(C(=O)c3coc4ccc(Cl)cc34)cc2)n1 587278423 MQRWEZUBFHHETN-UHFFFAOYSA-N 364.788 5.208 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]32)c1 587365235 FZKILTFMUUQZAT-IQGAEYHTSA-N 367.448 6.267 0 1 FKAF CC[C@@]1(c2ccc(C3CCCCC3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587402772 HORBKXBWHRIZSV-DEOSSOPVSA-N 363.501 5.896 0 1 FKAF CC1(C)CCc2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587528232 ZGTSHOIGZGGMNO-VWLOTQADSA-N 360.497 5.789 0 1 FKAF COc1cccc(NC(=O)c2c(-c3ccccc3)[nH]c3cccc(F)c23)c1 587635299 JRJBDUDQMZTGMG-UHFFFAOYSA-N 360.388 5.235 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC2CCCC2)N1 587813235 NLJMZVMFVAENOA-XIKOKIGWSA-N 354.307 5.308 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC2CC2)(c2ccccc2)N1 587814684 IBZRFWQOYPZQAC-RBZFPXEDSA-N 374.297 5.166 0 1 FKAF CC(C)[C@]1(C2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587819320 LSWHUGYVDYHTMU-BFUOFWGJSA-N 368.334 5.554 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(Cl)cc(C)c3[nH]2)cc1 587932554 GFVWNPSZOXUEPE-FQEVSTJZSA-N 362.860 5.714 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587950413 AWPGCDPOWVDDNN-NSHDSACASA-N 374.337 6.014 0 1 FKAF O=C(CCc1ccccc1)c1nc2cc(Sc3ccccc3)ccc2[nH]1 587954072 AVUKLWPZPKEJNU-UHFFFAOYSA-N 358.466 5.530 0 1 FKAF Fc1cccc(Cl)c1CN1CCC(F)(F)[C@@H](CCc2ccccc2)C1 1772584194 WRMURLFIIDCIFU-INIZCTEOSA-N 367.842 5.569 0 1 FKAF Fc1ccc2c(CN3CCC(F)(F)[C@@H](CCc4ccccc4)C3)c[nH]c2c1 1772640328 PFOWCBUJJWGNHA-SFHVURJKSA-N 372.434 5.397 0 1 FKAF C[C@H]1C[C@H](C(=O)Nc2nc3cc(C(F)(F)F)ccc3s2)CC(C)(C)C1 1857767238 FJBMFFFOSCWZTA-QWRGUYRKSA-N 370.440 5.716 0 1 FKAF CC(C)Cc1ccc([C@H](C)C(=O)NCc2c(Cl)cccc2Cl)cc1 2382223681 ARIICVGTQHFGGZ-AWEZNQCLSA-N 364.316 5.612 0 1 FKAF COCc1cc(O)c2c(c1O)[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2 13431946 APGZBIKZXBYIEJ-FJDVCKPCSA-N 358.522 5.301 0 1 FKAF biogenic C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C5CCCCC5)CC[C@@]43C)[C@@H]1CCC2=O 13671507 OQRFDBKHTMVKBO-SMUKYFJDSA-N 372.593 5.910 0 1 FKAF O=C(O)C1(c2ccc(-c3ccc(-c4ccc(F)cc4)c(F)c3)c(F)c2)CC1 13672567 PYLGXNLJVJXKBA-UHFFFAOYSA-N 368.354 5.554 0 1 FKAF Clc1ccc(-c2cc([C@@H]3CCCN(Cc4ccccc4)C3)[nH]n2)cc1 13763842 RKWDQZZKDQAENU-GOSISDBHSA-N 351.881 5.110 0 1 FKAF C/C(=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)C(=O)O 14691397 YBTAYKPEYLOHDQ-JMNUVGBPSA-N 358.478 5.322 0 1 FKAF CCCCCC[C@@H]1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 27078613 GFRGGNGHBUJYSJ-QFIPXVFZSA-N 361.529 7.365 0 1 FKAF Cc1[nH]c2ccccc2c1CCCN1CCC(c2noc3ccccc23)CC1 27868920 CXXRRYAUMLWNFU-UHFFFAOYSA-N 373.500 5.430 0 1 FKAF CN1CCC2(CC1)S[C@H](c1ccc(Cl)c(Cl)c1)c1ccccc12 27880861 MDFWWOQSMCSSKP-GOSISDBHSA-N 364.341 5.751 0 1 FKAF C/C(=C(/C)c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)cc1 29320768 COVRQNZMQZYWMG-WUKNDPDISA-N 362.513 6.684 0 1 FKAF O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N(CC1CC1)C[C@@H]1CCCO1 40914429 LRVFSGYUCXZPOA-NRFANRHFSA-N 369.892 5.038 0 1 FKAF CC[C@@H](C)NC(=O)c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1 84688369 ZUIBEJUGHHQBGW-LLVKDONJSA-N 374.271 5.132 0 1 FKAF CN1[C@@H]2CC[C@@H]1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100897386 USTUNSNQMDWSMK-FGZHOGPDSA-N 371.471 5.334 0 1 FKAF CC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1c(O)c2ccccc2oc1=O 105509074 NJJDBBUWWOAOLD-PCCVJEDISA-N 366.501 6.460 0 1 FKAF Cc1cc2c(cc1N)N(c1ccccc1C)c1cc(N(C)C)c(C)cc1N2 163402548 XDBAUVLPZLJDGY-UHFFFAOYSA-N 358.489 5.787 0 1 FKAF CCc1c(O)c(C)c(/C=C/CCCCCCCCC(C)=O)c(O)c1OC 169721944 YKQVXNDYQIEFJO-FYWRMAATSA-N 362.510 5.700 0 1 FKAF CC(=O)O[C@H]1C[C@@H]2C(C(C)C)=CC[C@@]2(C)C/C=C(/C(=O)O)CC/C=C/1C 238735456 PGLAOOCIGQLYBN-POUUCFIZSA-N 360.494 5.058 0 1 FKAF CCCOc1cc(NC(=O)c2c(F)cccc2F)cc(C(F)(F)F)c1 299838980 PDWWLZDXBCJAAF-UHFFFAOYSA-N 359.294 5.025 0 1 FKAF CC/C(=C(/c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccccc1 299862724 NSKWBORNQLSSGY-IZHYLOQSSA-N 357.497 5.653 0 1 FKAF CC[C@@]1(C)C[C@@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 586887300 FZRRUJIDGSMDLO-DIFFPNOSSA-N 351.288 5.264 0 1 FKAF C[C@@H]1c2ccccc2Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989521 AKJBOKXPRRJOCX-CYBMUJFWSA-N 363.416 5.208 0 1 FKAF CCCCCC1=C(C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991701 VSLQSRIPNOKEDT-UHFFFAOYSA-N 369.464 6.062 0 1 FKAF Cc1cc(N)c(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 586995897 KGYZRXRRYVQSLT-UHFFFAOYSA-N 366.420 5.018 0 1 FKAF Fc1cc(Cl)cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587084950 JVRYAMWTGINTCC-UHFFFAOYSA-N 359.191 5.133 0 1 FKAF Cc1nc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)s1 587101743 MASXPLYANSCJNC-UHFFFAOYSA-N 356.450 5.495 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]3c1ccc(Cl)cc1 587104873 YCDYBNMMXLXBNC-GOSISDBHSA-N 367.835 5.788 0 1 FKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cccc(F)c4[nH]3)c(F)c2)c1 587139018 ZRLOZHPTOIEIHK-UHFFFAOYSA-N 368.314 5.012 0 1 FKAF COc1ccc(C(=O)c2ccccc2-c2nc3cc(C)cc(C)c3[nH]2)cc1F 587144949 SIEPOCXQXNCRJQ-UHFFFAOYSA-N 374.415 5.225 0 1 FKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 587241852 JIVSEFAGYGLSBW-UHFFFAOYSA-N 359.832 5.397 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4Cl)o1)[C@@H](C2)C3=O 587421592 USRLOUZQHJVGQU-LHSJRXKWSA-N 366.800 5.097 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)c3ccccc13)CC2=O 587471973 NQGMUHZVYQNTLK-HSZRJFAPSA-N 364.416 5.518 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC3CC3)c(C)c1)CC2=O 587480155 NPIMDWRHOMEXQM-QFIPXVFZSA-N 366.457 5.148 0 1 FKAF O=C1C[C@](Cc2ccncc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587515808 RUAHAMUDMLBRJI-RUZDIDTESA-N 369.464 5.064 0 1 FKAF O=C1C[C@H](c2cccc(Oc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587520638 AZZUVIYEQLBQQP-XMMPIXPASA-N 370.448 6.064 0 1 FKAF CCC(CC)c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535045 HSWYWHICIVIGJD-GOSISDBHSA-N 355.503 5.632 0 1 FKAF C[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2S1 587538305 OYLHUVVXFIKSAO-PEBXRYMYSA-N 350.483 5.310 0 1 FKAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)cc1 587629478 RQLZCHGNXXTROG-UHFFFAOYSA-N 353.727 5.084 0 1 FKAF CC[C@H](C)c1ccc2[nH]c([C@H](C)NC(=O)OC(C)(C)C)c(CCOC)c2c1 587641899 IJDFTUVDPIKECW-GJZGRUSLSA-N 374.525 5.456 0 1 FKAF CCCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587820753 QTDWRYZUPKZVFJ-BLVKFPJESA-N 362.286 5.164 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2cccs2)N1 587853718 QZXYRCNJUHRQIF-MCLOOOIOSA-N 366.299 5.113 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4c(C)cnc(Cl)c4[nH]3)ccc2c1 587934328 JPPCCFRQRWOHAU-GFCCVEGCSA-N 351.837 5.233 0 1 FKAF CC(C)=CCCC(C)=CCOc1cc(O)c(C(=O)c2ccccc2)c(O)c1 2356624454 CPWFSCYLMXLCDK-UHFFFAOYSA-N 366.457 5.400 0 1 FKAF CCCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356677769 YDLVZJHEMPUSFL-WKOKZOKJSA-N 358.610 6.753 0 1 FKAF CCc1ccc2c(c1)C(C1=C[C@H](C)N(C)CC1)=Nc1cc(Cl)ccc1N2 2382235353 VSQDOVCYPJDCLP-AWEZNQCLSA-N 365.908 5.731 0 1 FKAF Cc1cccc(Nc2ncnc3onc(-c4cccc(Cl)c4)c23)c1C 15924614 AMHJPPXPNHAKGU-UHFFFAOYSA-N 350.809 5.299 0 3 FKAF CCc1c(-c2cccc(F)c2)ncn1Cc1cccc(-c2ccccc2)c1 199393179 OSHDSMVOUBLOQI-UHFFFAOYSA-N 356.444 5.967 0 3 FKAF COc1ccc(C2=Nc3cc(C)c(C)cc3N[C@@H](c3ccccc3)C2)cc1 5552878 PSIQDUJCLJWDIA-OAQYLSRUSA-N 356.469 5.990 0 1 FKAF CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H](C)c1ccccc1 28956230 SINICVYFWKASAP-INIZCTEOSA-N 362.477 5.270 0 1 FKAF O=C1C[C@H](Cc2ccccc2)c2c(ccc3cc(Br)ccc23)O1 29135863 MYXOQQAXLFMDAL-HNNXBMFYSA-N 367.242 5.238 0 1 FKAF CCCCNc1ncnc2c1N=C(c1ccccc1)c1cc(C)ccc1S2 38279225 NZLURVWOZYNTLQ-UHFFFAOYSA-N 374.513 5.631 0 1 FKAF CCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(Cl)cccc1Cl 40893140 NMHGDENMXGDMSF-UHFFFAOYSA-N 372.635 5.076 0 1 FKAF CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1Cc1ccccc1F 72122908 WDWQMEVYADKWMN-JOCHJYFZSA-N 364.851 6.134 0 1 FKAF CC(C)c1cc(C(C)(C)C)cc(-c2cccc(-c3ccccc3)c2)c1CO 73295311 SBFDLYXSRSOVMF-UHFFFAOYSA-N 358.525 6.934 0 1 FKAF C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccccc2)nn1 84758602 VXFRIVMISAHKLG-OAHLLOKOSA-N 355.466 5.922 0 1 FKAF CCCCCCCCCCCCCCCCCCCC[C@@H](OC)C(=O)O 85845621 WPWAEVSBFNBQSU-JOCHJYFZSA-N 370.618 7.518 0 1 FKAF biogenic COc1ccc2c(c1)C(=O)c1ccc(Nc3ccccc3Cl)cc1CC2 95573032 CKMOSVVHCJYVNV-UHFFFAOYSA-N 363.844 5.422 0 1 FKAF Cc1cc(C2=NN[C@H](c3cc4cccc(C)c4nc3Cl)C2)c(C)s1 103205149 WXXHNOOHMOGPNY-KRWDZBQOSA-N 355.894 5.314 0 1 FKAF Fc1ccc(C(CCCNCCc2ccccc2)c2ccc(F)cc2)cc1 103229527 UCEVHIATVNSYMI-UHFFFAOYSA-N 365.467 5.709 0 1 FKAF CCOc1ccc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1 103523386 OTAAQKCWSSLKJP-JOCHJYFZSA-N 362.473 5.957 0 1 FKAF CC/C=C/C/C=C/C/C=C\CCCCCCCCCc1ccc(C=O)[nH]1 209607590 VEOUIFWXVMDSPJ-KYNNUBNZSA-N 355.566 7.349 0 1 FKAF CCc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1Br 586977984 UWBUHDXELTWZSZ-UHFFFAOYSA-N 351.247 5.708 0 1 FKAF Cc1cnc2[nH]c([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 587068568 BBIFHRITOLEEBQ-VNHWOPEZSA-N 372.299 5.939 0 1 FKAF Cc1c(Br)ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587085834 KCIMRBMNOPFYKS-UHFFFAOYSA-N 372.653 5.502 0 1 FKAF CCn1cccc1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363127 QDEKHBIAJJUJQN-UHFFFAOYSA-N 368.436 6.145 0 1 FKAF CCCCc1ccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587389388 HYLRKLXLLZNULG-QHCPKHFHSA-N 374.484 5.417 0 1 FKAF CCCOc1ccc2ccccc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587399733 LPRWZFSAANVOAM-NRFANRHFSA-N 361.441 5.226 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccccc3C)cc1)O2 587400907 SIWNGPHYUUZQLK-HSZRJFAPSA-N 373.452 5.171 0 1 FKAF CCCCCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587476674 ACYVVNZWUYHDAD-JOCHJYFZSA-N 368.473 5.620 0 1 FKAF COc1ccc2c(c1)CCCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522550 FNMGSTFSQSXGHC-XMMPIXPASA-N 362.469 5.161 0 1 FKAF COc1ccc([C@@H](C)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524225 KPTWLFGVLGTNCP-IQMFZBJNSA-N 350.458 5.102 0 1 FKAF Cc1cc(C)cc(OCc2nc3cc(Br)c(C)c(C)c3[nH]2)c1 587564668 OFSZXKQJYBLYLM-UHFFFAOYSA-N 359.267 5.138 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cc(OC)ccc3OC)c2c1 587642840 PDKSWNOIYSMCDP-CYBMUJFWSA-N 366.461 5.259 0 1 FKAF Cc1ccccc1/C=C\[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817907 FLANSMGNPZKXTA-JOJJOWAYSA-N 360.270 5.185 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587932296 NFRPRTBIQMXUQT-UHFFFAOYSA-N 369.251 6.212 0 1 FKAF C[C@@]1(c2csc3ccccc23)c2ccsc2CCN1Cc1ccco1 962701759 DRFMCAXFDXMYGQ-NRFANRHFSA-N 365.523 5.878 0 1 FKAF COc1ccc(CNc2cccc(N(C)C)c2)cc1-c1cccc(Cl)c1 1857589212 GAGKHFYWMJLTGZ-UHFFFAOYSA-N 366.892 5.694 0 1 FKAF Nc1oc2c(-c3ccccc3)nccc2c1Nc1cccc(C(F)(F)F)c1 1857772200 RQBIBQMLBKIBMY-UHFFFAOYSA-N 369.346 5.839 0 1 FKAF CN(C)c1ccc([C@H](C=C2C=Cc3ccccc3N2)c2ccccc2)cc1 2356453801 MIKIJJDATHBDEV-XMMPIXPASA-N 352.481 5.907 0 1 FKAF CCCC=CC[C@H](O)CCCCCCCCCCCCCCCCCO 2356484860 JYZDOSWMZPZDMV-DEOSSOPVSA-N 368.646 7.328 0 1 FKAF Clc1ccc([C@@H](c2c[nH]cc2-c2ccccc2)n2ccnc2)cc1Cl 5974745 QDEDFXAQPPQYEW-FQEVSTJZSA-N 368.267 5.823 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 13437713 NIDVFKIOOJTTCI-UHFFFAOYSA-N 357.513 6.360 0 1 FKAF Fc1ccccc1O[C@H](CCN1CCc2ccccc2C1)c1ccccc1 13530613 QKURRGIUBRBIHH-HSZRJFAPSA-N 361.460 5.394 0 1 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(F)cc1)Oc1ccccc1-3 13777089 GZVGUQWAUCAVDI-DEOSSOPVSA-N 371.455 6.582 0 1 FKAF Fc1ccc(C[C@@H](Nc2nc3cc(Cl)ccc3o2)c2ccccn2)cc1 28011922 CWSFARGGACHTLH-QGZVFWFLSA-N 367.811 5.411 0 1 FKAF Cc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c(C)c1 40828426 RLGFIENPFFPLBF-UHFFFAOYSA-N 368.484 5.978 0 1 FKAF O[C@@H]1Cc2ccc3ccccc3c2N[C@H](c2cccc(Br)c2)C1 40897979 FYZOMYMFZDCRGD-MJGOQNOKSA-N 368.274 5.063 0 1 FKAF O[C@@H](CSc1ccccc1F)Cn1c2ccccc2c2ccccc21 84705073 JJTPYFCWWWQZEP-OAHLLOKOSA-N 351.446 5.087 0 1 FKAF CCCc1ccc2c(c1)sc(=O)n2CCCCCCN1CCCCCC1 96916523 QXRIISCCZXCJMS-UHFFFAOYSA-N 374.594 5.452 0 1 FKAF C[C@H](COC(=O)c1ccc2ccccc2c1)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C 96935064 QYVTXJDSMZOXMX-QAPBEQBNSA-N 366.501 5.210 0 1 FKAF COc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2ccc3ccccc3c21 103880588 BVDCQHFLBDYKGR-HSZRJFAPSA-N 355.437 6.062 0 1 FKAF Cc1cncc(C2=CC[C@H]3[C@@H]4CCN5CCCCC[C@]5(C)[C@H]4CC[C@]23C)c1 169225274 ZSEIMVAPDJTNCQ-OXZBAMKGSA-N 364.577 5.864 0 1 FKAF COc1cccc(N[C@H](C(=O)c2c[nH]c3c(C)cccc23)c2ccccc2)c1 218336259 NTDQPRZGNWOFKM-QHCPKHFHSA-N 370.452 5.521 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](Nc3cccc(O)c3)CCC[C@@]21C 299867974 YZLWDTSEVJIDKX-CJNUZUDLSA-N 357.582 6.852 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(C(C)=O)cc4[nH]3)c2)cc1 586879672 IMPNRXJXINFCSR-UHFFFAOYSA-N 354.409 5.302 0 1 FKAF CC(C)COC1=Cc2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O 586989924 SRSFYOVWKGBTEM-UHFFFAOYSA-N 371.436 5.112 0 1 FKAF CC(C)[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@@H]1C 586991076 QXXFUEUMJIVJOK-BBRMVZONSA-N 357.453 5.159 0 1 FKAF Cc1nc2[nH]c(-c3cccc(-c4ccsc4)c3)nc2cc1Br 587024830 DSEKJHNYGZCVAZ-UHFFFAOYSA-N 370.275 5.424 0 1 FKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(F)cc4[nH]3)c2)cc1 587067766 OJPCKGOXHKXTOO-UHFFFAOYSA-N 352.796 5.182 0 1 FKAF Cc1cncc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587072478 QVDZWCVMCNMOJX-BZNBUERMSA-N 372.299 5.939 0 1 FKAF Clc1cc2ccc(-c3nc4cccc(Br)c4[nH]3)cc2cn1 587085193 PDKRWZRSLXFMTB-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(F)cc1CC3 587102975 CAXWYQGMOOUREA-UHFFFAOYSA-N 351.380 5.351 0 1 FKAF Cc1c(-c2ccc(Cl)cc2O)nc2cccc3c2c1-c1ccccc1C3=O 587104879 YGSVAHOHPPNGBP-UHFFFAOYSA-N 371.823 5.781 0 1 FKAF COc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Cl 587131758 CCYIKNZNUHWAKD-IHWYPQMZSA-N 374.696 5.091 0 1 FKAF Cc1c(Cl)ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 587132806 HWNVPKPCAKOYKJ-UHFFFAOYSA-N 357.599 5.202 0 1 FKAF Cc1cc(C)c2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 587149514 HTJBHPAWOZQFEW-OAQYLSRUSA-N 364.395 5.626 0 1 FKAF COc1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587152226 YAPKCXREBRSSEK-HXUWFJFHSA-N 366.367 5.018 0 1 FKAF CC(C)Oc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587196892 YOYWNFQUETUKGV-UHFFFAOYSA-N 371.484 5.557 0 1 FKAF Cc1cc(C)c2c(c1)-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587208261 UHIFPMIJHGFXNJ-UHFFFAOYSA-N 361.444 5.829 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(C)c(F)cc3[nH]2)c1 587238358 HJYRMFOXXIWLFI-UHFFFAOYSA-N 360.436 5.620 0 1 FKAF CC1(C)[C@H]2CC[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@@H]1C2 587352168 LZJFIFNPGCMBNG-AAAGJGKRSA-N 366.432 5.085 0 1 FKAF CC[C@]1(c2cc(Cl)ccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587503496 UZGGCRLUSACYIC-JOCHJYFZSA-N 370.876 5.498 0 1 FKAF CCO[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCCCC2 587523938 MIRHFHDBQDCWEV-NZQKXSOJSA-N 354.490 5.029 0 1 FKAF CC1=C(CC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(C)(C)CCC1 587525316 RSXOVRVZNYNAES-RUZDIDTESA-N 366.545 6.596 0 1 FKAF COc1ccccc1C(=O)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587627796 CECMKLDZUJUEFU-UHFFFAOYSA-N 371.717 5.219 0 1 FKAF O=C(c1ccc(Cl)cc1)c1c(C(F)F)[nH]c2cc(Cl)c(F)cc12 587629260 HBZOJAPMCRATCB-UHFFFAOYSA-N 358.146 5.782 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(Nc3ccc(Cl)cc3)c2c1 587640250 GPTACNTWZKHOTD-INIZCTEOSA-N 374.915 7.745 0 1 FKAF C[C@@H](c1ccc(F)cc1)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587737473 XSOYDPFGOSIMTE-LIBAHTEVSA-N 366.249 5.106 0 1 FKAF CC(C)=CCC[C@H](C)C[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820940 RJCSXVAHAWKDLS-ZQIUZPCESA-N 368.334 5.936 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2CCCC3)N1 587822296 JSIGTNYTIAAPFX-ODXCJYRJSA-N 374.297 5.091 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=CC[C@H]3C[C@@H]2C3(C)C)N1 587822417 KFVUDEQJSOGXCR-PZHPECJOSA-N 364.302 5.156 0 1 FKAF Cc1c([C@@]2(C)NCCc3cc(-c4ccccc4)ccc32)sc(=S)n1C 962664395 NREMDWQJICULQR-NRFANRHFSA-N 366.555 5.201 0 1 FKAF Cc1ccc2c([C@@H]3c4ccsc4CCN3Cc3ccco3)c(C)[nH]c2c1 962714960 SIJSUCBSTLXCDK-QFIPXVFZSA-N 362.498 5.587 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12CCc1ccc(-c3ccccc3)cc12 963226071 GLODHBFIXAYLAA-CCLHPLFOSA-N 367.536 6.200 0 1 FKAF Cc1ccc(CC(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1 1857601786 YOALCOQOSYCTDZ-UHFFFAOYSA-N 360.388 5.124 0 1 FKAF Clc1ccc2c(NCCCC[N@@]3O[C@@H]3c3ccccc3)ccnc2c1 1857623875 MMUAXWUXILQCRK-HYBUGGRVSA-N 353.853 5.026 0 1 FKAF O=C1c2c(cccc2OCCC2CCCCC2)C[C@@H]1Cc1ccc(O)cc1 1857630637 FTPKAYAVNLEDIJ-FQEVSTJZSA-N 364.485 5.339 0 1 FKAF CC(C=CC(=O)NCC(=O)O)=C[C@H](C)C[C@H](C)CC(C)=CCCC(C)C 2356556618 IDHWXSORJXHAOU-UXHICEINSA-N 363.542 5.125 0 1 FKAF O=C1CCCc2[nH]c3cccc(/C(=C/c4ccccc4)c4ccccc4)c3c21 15974636 OVVBASVMMOQJMQ-HEHNFIMWSA-N 363.460 6.276 0 3 FKAF O=C(NCC=C(c1ccccc1)c1ccccc1)c1ccnc2ccccc12 13451906 NEADCRLFLHWBJT-UHFFFAOYSA-N 364.448 5.097 0 1 FKAF COC(=O)[C@@]12CCCC(C)(C)[C@H]1C=Cc1cc(C(C)C)c(OC)c(OC)c12 13480777 YSNDSABGXVFRFW-HXOBKFHXSA-N 372.505 5.091 0 1 FKAF biogenic COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2sccc2c1 13761424 LAHJBEMLSCUCJN-IBGZPJMESA-N 365.542 5.504 0 1 FKAF COc1ccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)cc1 14979834 DCNZTWQVUGZHKE-UHFFFAOYSA-N 364.445 5.121 0 1 FKAF 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@]12C 25549147 FEGCPHIPSRBREU-YULDWDGFSA-N 374.565 5.283 0 1 FKAF COc1ccc([C@@H]2[C@H](CCCc3ccccc3)C(=O)N2c2ccccc2)cc1 26146201 NCYJLENYYMZQHU-BJKOFHAPSA-N 371.480 5.422 0 1 FKAF CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(C(=O)O)cc4)[nH]n3)ccc21 26850547 NRAVEZHQNMKDRD-UHFFFAOYSA-N 374.484 5.791 0 1 FKAF CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2C)c2ccccc12 29037800 YUDIHEXNERTCPY-UHFFFAOYSA-N 366.936 6.798 0 1 FKAF CC(C)(C)[C@]1(O)CCN2C[C@@H](c3ccc(Cl)c(Cl)c3)CC[C@@H]2C1 29467788 ZUMKMVDYMPNRJE-KHYOSLBOSA-N 356.337 5.112 0 1 FKAF Cc1cc(-c2ccc(-c3cc4c(C)ccc(C)c4o3)[nH]2)c(C)cc1C(=O)O 29470526 TUCFCHIXKCRYDW-UHFFFAOYSA-N 359.425 6.027 0 1 FKAF CCCCCc1c2c(c(C)c3c1C(=O)OC3)Oc1ccc(OC)cc1O2 35090785 DGPQFCZGLHJJBK-UHFFFAOYSA-N 354.402 5.305 0 1 FKAF CCC[C@@H]1C[C@@]1(CCC)[C@H](NC(=O)c1ccco1)c1ccc(Cl)cc1 38179228 GCNXQOSRTIBRLP-OZOXKJRCSA-N 359.897 6.011 0 1 FKAF COc1ccc2c(c1)[C@@]13CC[C@@H](C)[C@H](C)[C@H]1[C@@H](C2)N(CC1CCC1)CC3 40461373 URDKDABBNGKIDR-KALBNENASA-N 353.550 5.046 0 1 FKAF Oc1ccc(CN(Cc2ccccc2)Cc2ccccc2)c2cccnc12 49525609 DISBNKCTXWTEDQ-UHFFFAOYSA-N 354.453 5.143 0 1 FKAF Cc1ccc(-c2cnc(N)c3oc(-c4csc5cnccc45)cc23)s1 96282214 XEKAHYAPDGCRMP-UHFFFAOYSA-N 363.467 5.724 0 1 FKAF CSc1ccc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1 103868352 SXMUTPZGUVHSMQ-OAQYLSRUSA-N 364.514 6.280 0 1 FKAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1ccc(C(C)C)cc1 103999660 SCFSVZSVIIEZDY-ASBZNUFUSA-N 371.477 5.011 0 1 FKAF C=Cc1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 224252015 DKFLSQRUSSOPJV-UHFFFAOYSA-N 365.480 5.649 0 1 FKAF CCCCC/C=C\C=C\[C@H](O)C/C=C/C/C=C\C/C=C\CCCCC(=O)O 238785764 WCPFNHAOKQUJEV-HKYXVQSCSA-N 374.565 6.524 0 1 FKAF O=C(c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2c1)N1CCCCC1 299857899 DGEVXVJBKHDKPT-UHFFFAOYSA-N 373.540 5.934 0 1 FKAF CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc2ccccc2c1 584905062 ZLQRWQFKXZMTRR-UHFFFAOYSA-N 352.433 6.230 0 1 FKAF in-vitro Cc1ccc2c3c(cc(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O 586992124 DGFMIASAUISGHW-UHFFFAOYSA-N 355.824 6.075 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(F)ccc4O)nc13)-c1ccccc1C2=O 586996907 VHHUXQRLZAJAEJ-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1 587037133 SHRMWTYMAXKFIL-CYBMUJFWSA-N 358.385 5.161 0 1 FKAF CO[C@H](c1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098436 XZDQZFMGHSBICI-RUZDIDTESA-N 365.432 5.490 0 1 FKAF FC(F)Oc1ccc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc1 587131142 ZSYLKMFVWDTAIM-UHFFFAOYSA-N 360.307 5.443 0 1 FKAF Fc1ccccc1CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587151510 ZQMSJOOWNJCBAM-UHFFFAOYSA-N 373.456 5.764 0 1 FKAF O=C(O)c1ccc(F)c(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c1 587210410 REOAQEXEIMZZMO-UHFFFAOYSA-N 369.395 5.505 0 1 FKAF Clc1cc(Cl)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 587232396 SVGBJVRIALZXTA-UHFFFAOYSA-N 372.255 5.420 0 1 FKAF Cc1cc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2cc1Cl 587241999 NDMPHHUSKKGHJD-UHFFFAOYSA-N 355.869 5.566 0 1 FKAF CCc1c([C@@H](C)CC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587365239 IVAUXBBTCDOAIA-HNNXBMFYSA-N 359.469 6.733 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)C)cc1)(c1cccnc1)O2 587395365 QIHJAWHKRXWGQW-XMMPIXPASA-N 372.468 5.005 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(CC(C)C)c1)CC2=O 587488154 ICXICHNLURIUFK-QHCPKHFHSA-N 352.474 5.424 0 1 FKAF COc1ccc2occ([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587531508 GWQMHPBSIFHOAP-HSZRJFAPSA-N 362.425 5.201 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccsc3)cc2)Oc2c1ccc1c2CCCC1 587536149 SEEAIDINCVVTTC-JOCHJYFZSA-N 360.478 6.000 0 1 FKAF O=C(O)c1cc(-c2[nH]c3cc(F)ccc3c2-c2ccc(Cl)cc2)c[nH]1 587634257 WLKAZAYSASMBON-UHFFFAOYSA-N 354.768 5.321 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3F)c(C(F)(F)F)c2c1 587641631 NUFRRIPLCLMWKJ-JTQLQIEISA-N 353.334 6.645 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC2(C)C)N1 587818164 CIHYCNCRENWJLP-BBATYDOGSA-N 354.307 5.164 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccccc3[C@H]2C)N1 587819229 UKKVTPNALFUIOZ-VFGMZZLHSA-N 374.297 5.068 0 1 FKAF CC(C)[C@@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587848304 NOEUYHGIRWZTNI-APPDUMDISA-N 368.315 5.084 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc(Cl)c(Cl)cc4[nH]3)ccc2c1 587934444 AFRKOLVQIQWEGC-LLVKDONJSA-N 371.267 6.183 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 587952773 XBSMOKMKXNVTKM-KFNAQCHYSA-N 364.873 5.049 0 1 FKAF CCc1ccc([C@@]2(C3CC3)c3ccsc3CCN2Cc2cccnc2)cc1 962994469 DHHFGRQAAWFCBX-XMMPIXPASA-N 374.553 5.417 0 1 FKAF Cc1sc2c(c1C)CCN[C@]2(C)c1csc(-c2ccccc2F)n1 963014101 SWJLNNNEZCUEIK-LJQANCHMSA-N 358.507 5.037 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1c(F)ccc(Cl)c1Cl 963105279 MBMCRGZUORZRGW-KPZWWZAWSA-N 354.227 5.382 0 1 FKAF Cc1ccc([C@]2(CCc3ccc(C)c(C)c3)NCCc3ccc(O)cc32)cc1 963354967 ZRDKBZXJHYBJSA-SANMLTNESA-N 371.524 5.340 0 1 FKAF Cc1ccncc1C1=CC=C2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1772639175 NKUZBGADMLLMCT-HBIMXDMXSA-N 363.545 5.707 0 1 FKAF CC1=C2C[C@@]3(C[N@]4C[C@@]45CCCC54CCCC4)CC[C@H](C)[C@@]2(CC1)C3(C)C 2356521410 WXPVGYXKHDXKPM-OEBLJWNNSA-N 367.621 6.728 0 1 FKAF COc1cc(C)c(O)c2c1C=C[C@](C)(CCC=C(C)CCC=C(C)C)O2 2356614906 MYIDCWYCVAPNOL-QHCPKHFHSA-N 356.506 6.346 0 1 FKAF Cc1c([C@@H](c2ccc(Cl)cc2)c2cc3ccccc3o2)[nH]c2ccccc12 2382218363 QUIIHHQBXKAACM-QHCPKHFHSA-N 371.867 7.056 0 1 FKAF CC(C)=CCc1cccc2c([C@@H](C=C(C)C)c3cccc4cc[nH]c34)c[nH]c12 13365933 SAPBCEOFOQKBCC-QHCPKHFHSA-N 368.524 7.256 0 1 FKAF biogenic Cc1ccccc1Nc1nc(N(C)c2ccc(O)cc2)c2ccccc2n1 13742290 OSAYZYAKTYCLAV-UHFFFAOYSA-N 356.429 5.155 0 1 FKAF O[C@H](CCCN1[C@H]2CC[C@@H]1CC(c1ccccc1)C2)c1ccc(F)cc1 13766729 MMDFRNFDFSNOJN-XGBAPZKQSA-N 353.481 5.050 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCC(C)(C)C(=O)NCCC 38146651 DZZYKVXKTJYUPM-CVLOBQTISA-N 373.625 7.294 0 1 FKAF Cc1cccc(-c2nc(Nc3ccc4ncsc4c3)c3ccccc3n2)n1 43013118 AOHITTBIQMSEHG-UHFFFAOYSA-N 369.453 5.354 0 1 FKAF Cc1[nH]c2ccccc2c1[C@@H](Sc1ccccc1)c1ccccc1Cl 84689733 YUPCEFFCHQWZDR-QFIPXVFZSA-N 363.913 7.011 0 1 FKAF Fc1ccc(Sc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 84709312 GOOWBDXLTBUQEL-UHFFFAOYSA-N 373.667 5.747 0 1 FKAF COc1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2 95575388 CPDXPKUSKNZCQM-UHFFFAOYSA-N 365.379 5.047 0 1 FKAF Cc1c(F)cccc1Cc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 586994679 BVAAFQPOKVELGN-UHFFFAOYSA-N 367.423 5.793 0 1 FKAF CCCCCOc1cc2nc(C(C)(C)Cl)[nH]c2cc1Br 587007909 FSMFVEBDCLBWSS-UHFFFAOYSA-N 359.695 5.368 0 1 FKAF CCc1ccc(-c2nc(-c3nc4ccc(OC(C)C)cc4[nH]3)cs2)cc1 587016169 QXQADPKMZHYTIC-UHFFFAOYSA-N 363.486 5.703 0 1 FKAF FC(F)(F)c1cnc2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1 587051350 WCJKRMSHJWZDMD-UHFFFAOYSA-N 362.742 5.088 0 1 FKAF O=C(Nc1ccccc1Cl)c1nc2cc(Oc3ccccc3)ccc2[nH]1 587060988 YHDYVYUSGRCMLQ-UHFFFAOYSA-N 363.804 5.261 0 1 FKAF Cc1nc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)sc1C 587101439 GWXGEBVEQLDWDB-UHFFFAOYSA-N 356.450 5.495 0 1 FKAF O=C1c2ccccc2-c2cc(Cc3ccc(Cl)cc3)nc3cccc1c23 587103720 KCCQIBZDYBECJQ-UHFFFAOYSA-N 355.824 5.690 0 1 FKAF Cc1ccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2c1C 587121626 ICUWUWXPLDBBRW-UHFFFAOYSA-N 371.362 5.602 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175040 OTWMTJUJRJMINR-UHFFFAOYSA-N 369.399 5.005 0 1 FKAF CCC1CCC(C2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)CC1 587406417 HHHZFRRQORRVLA-UHFFFAOYSA-N 355.522 5.688 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1C1CCCCC1)CC2=O 587472030 WYEWEXQXBNNJCB-NRFANRHFSA-N 353.462 5.358 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(C(C)(C)C)CC2=O 587478984 LHXHUEYNXPRVTG-HSZRJFAPSA-N 368.473 5.260 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1sc3ccccc3c1Cl)CC2=O 587497403 VXNVREYEYKRYLL-MRXNPFEDSA-N 372.873 5.919 0 1 FKAF O=C1C[C@]2(CCc3cc(C(F)(F)F)ccc32)Oc2c1ccc1c2CCCC1 587509957 UPHWZQCINMLZSM-NRFANRHFSA-N 372.386 5.391 0 1 FKAF Nc1ccccc1[C@@]1(C2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587511794 RXJMLMPGRAILSF-DEOSSOPVSA-N 361.485 5.199 0 1 FKAF CC(C)COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523066 MXOGXBWUHWYXBG-QFIPXVFZSA-N 350.458 5.307 0 1 FKAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 587528089 ZLLGPHITRMNQDJ-VWLOTQADSA-N 372.464 5.608 0 1 FKAF CC(C)C1CCC([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587602249 HDCRJNFZJSODMB-UVLHFKGJSA-N 366.457 5.185 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(Br)cc1F 587628954 CBABGBIHHYAKPR-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF O=C(O)c1cccc2c(COc3ccccc3)c(-c3ccc(F)cc3)[nH]c12 587638184 NSJVLBFUKBXEPH-UHFFFAOYSA-N 361.372 5.251 0 1 FKAF COc1cccc(OCc2ccc(-c3nc4c(C)cc(C)cc4[nH]3)cc2)c1 587781932 ZIPSFYMKQUPVAI-UHFFFAOYSA-N 358.441 5.434 0 1 FKAF Cc1cccc2c1[C@H](C)C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587816615 BHDQGKONUHSNLM-UVARLRKDSA-N 374.297 5.182 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CCCCCC2)N1 587817955 FTMWNVBOMFPIDP-KPZWWZAWSA-N 354.307 5.308 0 1 FKAF CCCC1CCC([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587818525 FDNDFXYXHKKVMY-WBICIVBESA-N 368.334 5.770 0 1 FKAF COc1ccc2c(c1OC)[C@@](C)(CC(C)(C)C1CCCCC1)N(C)[C@H](C)C2 962615905 AOGYAXGBOKZCFS-MZNJEOGPSA-N 373.581 5.792 0 1 FKAF C[C@](O)(C[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1NCCc2cccc(-c3ccccc3)c21 962667527 LRLSNPGGAANAOB-VMVJYUBXSA-N 361.529 5.118 0 1 FKAF COc1cc(C)c([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)cc1C 963112935 TYHVQNBYKBPHOH-IBGZPJMESA-N 350.289 5.028 0 1 FKAF Clc1ccc(-n2cc(COc3ccc(-c4ccccc4)cc3)nn2)cc1 1772575624 JVADYTUBPMZGEW-UHFFFAOYSA-N 361.832 5.167 0 1 FKAF Clc1ccc2ccc(-c3nc4ccccc4n3-c3ccccc3)nc2c1 1772609413 LCRVRBYFDDJUGD-UHFFFAOYSA-N 355.828 5.894 0 1 FKAF COc1cccc(Cl)c1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772625986 LGWNVKPJBBCCFU-CQSZACIVSA-N 373.861 5.079 0 1 FKAF C[C@H](CCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1 1772655599 RAMFIOJMESQEOK-OAQYLSRUSA-N 357.541 6.288 0 1 FKAF CC(=O)c1cc(/C=C/c2ccccc2)cc2cc(-c3ccc(F)cc3)[nH]c12 1857606455 SUZCHNBRRIIEFW-BQYQJAHWSA-N 355.412 6.347 0 1 FKAF CCc1cc(-c2[nH]nc(C)c2Oc2ccc(C(C)C)cc2)c(O)cc1O 13122514 PULYOCOYJBOTCL-UHFFFAOYSA-N 352.434 5.274 0 1 FKAF CC(=O)O[C@H](/C=C(\C)C/C=C/C(C)=C/CCc1ccoc1)Cc1ccoc1 13378047 SQBWRPUXDPULSZ-HKOLVMHISA-N 368.473 5.819 0 1 FKAF O=C(O)CCCCCCc1ccc(Cc2ccc(C(F)(F)F)cc2)cc1 13726568 SAMIHJQBITZHDB-UHFFFAOYSA-N 364.407 5.874 0 1 FKAF CCCCCC[C@H]1Cc2cc3c(cc2O1)OC[C@H]1c2cc(O)ccc2O[C@@H]31 14439165 RHVATCHRZSZOTC-NVVBAYIOSA-N 366.457 5.276 0 1 FKAF CC(C)c1ccc2oc(N[C@@H](CN3CCCCC3)c3ccccc3)nc2c1 28001790 HGTFHVUDPKQOSQ-NRFANRHFSA-N 363.505 5.590 0 1 FKAF c1ccc(CCN2CCC3=C(C2)[C@@H](c2ccccc2)c2ccccc23)cc1 28263086 FLNPBFBYQVNSIL-SANMLTNESA-N 351.493 5.534 0 1 FKAF Fc1ccccc1Nc1cc(-c2ccnc(Nc3ccccc3F)c2)ccn1 28571375 SKJICGSOFSPBPD-UHFFFAOYSA-N 374.394 5.909 0 1 FKAF Cc1cc2[nH]nc(/C=C/c3ccccc3)c2cc1NC(=O)Cc1cccs1 49126277 UDKDYWHGVWVLDY-MDZDMXLPSA-N 373.481 5.284 0 1 FKAF Cc1ccccc1C(=O)N1CC[C@H]2C[C@@H]1c1cc(-c3ccc(F)cc3)ccc12 61942338 DCGOZLNYERZUAM-YADARESESA-N 371.455 5.876 0 1 FKAF c1ccc2cc(-c3ccc4nc(-c5ccc6nc[nH]c6c5)[nH]c4c3)ccc2c1 66066632 KBQXCUQQZJUQMT-UHFFFAOYSA-N 360.420 5.926 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C=CCC[C@@]43C)[C@@H]1CC[C@@]2(O)Cc1ccccn1 84713364 URWKMRUSQLJJPL-WFGFEZODSA-N 363.545 5.484 0 1 FKAF CCC/C=C\CSC[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101616868 QXBFRDGMYMBQMJ-OOCIEYILSA-N 352.540 5.071 0 1 FKAF CCCCCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144789814 FHGGLSNOHHHWAI-IBGZPJMESA-N 350.380 5.424 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC[C@@H]4C=CCC[C@]4(C)[C@H]3C=C[C@@]21C 255214466 HAJOVCDDHUOYQO-FTLZCDAUSA-N 354.534 6.008 0 1 FKAF CC(C)(C)[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586989716 CXQOFSLUKIUOJZ-CYBMUJFWSA-N 357.453 5.303 0 1 FKAF N=c1[nH]ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587051719 UQMXBHGLMOWEOL-UHFFFAOYSA-N 370.843 5.511 0 1 FKAF Fc1cc(F)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 587062637 HUVHQZGNASNCLM-UHFFFAOYSA-N 354.787 5.752 0 1 FKAF FC(F)(F)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068167 JRRZIBRSEWGFMN-UHFFFAOYSA-N 362.742 5.292 0 1 FKAF Clc1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)nc1Cl 587084694 RGIVJYVRMWVOIA-UHFFFAOYSA-N 370.239 5.511 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c(Cl)cccc31)CC2=O 587458623 BCTGXIWWOFOFAV-NRFANRHFSA-N 356.849 5.195 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c3ccccc3c1Cl)CC2=O 587459102 CNNPPSFWJZQDKP-QGZVFWFLSA-N 355.821 5.186 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C)cc3)o1)CC2=O 587478699 IBPUSUDUMHPMCV-JOCHJYFZSA-N 362.425 5.620 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccccc3cc1C=O)CC2=O 587479393 IEVUNVILXGBZEE-JOCHJYFZSA-N 360.409 5.017 0 1 FKAF C[C@]1(c2cc(F)c(F)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587504374 IVPKVIXOKDLYEU-HXUWFJFHSA-N 362.803 5.378 0 1 FKAF CCCOc1c(C)cc(C)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520505 DGSUJJUASKIWMX-JOCHJYFZSA-N 364.485 5.678 0 1 FKAF CCCc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587527119 VEMBILQYGHYJCR-QFIPXVFZSA-N 350.458 5.233 0 1 FKAF CCCC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604657 VDWBJLHZURJRRS-WDALLZDZSA-N 352.430 5.083 0 1 FKAF Cc1cc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)(F)F)c(C)o1 587623930 CCAGYORMLLSCPP-UHFFFAOYSA-N 355.743 5.752 0 1 FKAF Cc1ccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 587808320 YHPURUOJNUFBDQ-JEOXALJRSA-N 373.269 5.002 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](c3ccccc3)C2)N1 587818626 RNUGGPBVPTWSHW-AUJRIZCKSA-N 374.297 5.285 0 1 FKAF CC[C@H](C)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587823955 SPQYTEPIEFGNMY-QRDCCXFBSA-N 368.334 5.554 0 1 FKAF Clc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c(Cl)n1 587955437 JCCQMMLYGDXJOY-OAHLLOKOSA-N 368.267 5.639 0 1 FKAF COc1cccc2ccc([C@@H]3NCCc4cccc(-c5ccccc5)c43)nc12 962670226 VHJMYDFLAHWQON-VWLOTQADSA-N 366.464 5.146 0 1 FKAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1c(F)ccc(Cl)c1Cl 963269083 FNGMFGXJJNLMRD-QGZVFWFLSA-N 374.670 5.204 0 1 FKAF Clc1ccc(NCCNc2ccnc3cc(Cl)ccc23)c(Cl)c1 1772616236 GGMVXIYGYNHEOJ-UHFFFAOYSA-N 366.679 5.719 0 1 FKAF CC(C)(CCC(C)(C)[N@]1O[C@@H]1c1ccccc1)[N@@]1O[C@@H]1c1ccccc1 1857623526 ZVYPDPQJQPXXNB-DVJXIFHOSA-N 352.478 5.216 0 1 FKAF O=[S@](Cc1ccc(F)cc1)c1ccc2cc(Br)ccc2c1 1857649186 FOEUTLLFMNPCMI-OAQYLSRUSA-N 363.251 5.049 0 1 FKAF O=C(O)CCCC=CCC=CCC=CCC=CCCCCC(F)(F)F 2356386239 AFUVZRKWEHSOFO-UHFFFAOYSA-N 358.444 6.759 0 1 FKAF CC(C)=CCc1c(O)cc(C=Cc2ccc(O)cc2)c(CC=C(C)C)c1O 2356396219 FBMXGLQFSZAMOL-UHFFFAOYSA-N 364.485 5.991 0 1 FKAF CCC[C@@H]1C=C[C@@H]2CC(C)=CC[C@@H]2[C@]1(C)C=C(C)C=CC=CC=CC(=O)O 2356718963 LRLMBKDNFKCUAP-AGDMDRQQSA-N 366.545 6.651 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 2356803861 XMOYAJSUUCZZLU-JZPZWAJLSA-N 356.506 5.365 0 1 FKAF C[C@@](O)(c1ccc(F)c(F)c1)c1nc(-c2csc3ccccc23)cs1 61903073 SXCXGJJTJDPZLI-LJQANCHMSA-N 373.449 5.559 0 3 FKAF Cc1cccc(NC(=O)Nc2ccc(-c3ccc(C)c4n[nH]c(N)c34)cc2)c1 35324769 FPQYONGXMYWJCL-UHFFFAOYSA-N 371.444 5.073 0 1 FKAF O=C1c2ccccc2COc2cc(Nc3ccc(Cl)cc3Cl)ccc21 40752857 NKFLZOCCIOWWMB-UHFFFAOYSA-N 370.235 5.860 0 1 FKAF c1ccc(C2=Nc3ccccc3[C@H]2C2CCN(c3ccccc3)CC2)cc1 66077698 SKANGXDRVLBYBV-XMMPIXPASA-N 352.481 5.821 0 1 FKAF O[C@](c1cccnc1)(c1cccc(C(F)(F)F)c1)c1ccccc1Cl 72186075 PZPOGWAOBATEMZ-SFHVURJKSA-N 363.766 5.038 0 1 FKAF NCCS[C@@](Cc1ccccc1)(c1ccccc1)c1ccc(F)cc1 84652458 RVNWBDVAULKSHY-QFIPXVFZSA-N 351.490 5.004 0 1 FKAF C[C@H]1CC(=O)c2s/c(=N/c3c(Cl)cc(Cl)cc3Cl)oc2C1 84758760 JQMUATYQMLLDFZ-ZQNBZQDRSA-N 362.665 5.299 0 1 FKAF CCCCOc1cc(NC(=O)N2CCC[C@H]2c2ccccc2)ccc1OC 95560375 IZLVKYNEGPGURX-IBGZPJMESA-N 368.477 5.243 0 1 FKAF CCCCCCN[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118917885 JCVJZIOPZNIDLZ-HUVRVWIJSA-N 373.625 5.849 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCC(C)C 169333938 HKYAUSBRNXNKIW-NKXWDUBDSA-N 373.625 7.294 0 1 FKAF CC(=O)OC(C)(C)[C@H]1CCC(C)=CCCC(C)=CCCC2=C[C@@H]1OC2=O 253664959 JRHSHBMAWLBQTD-PMACEKPBSA-N 360.494 5.043 0 1 FKAF Cc1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1 299834428 XUUZMAGQEOEZGX-UHFFFAOYSA-N 350.425 5.830 0 1 FKAF CCCC/C=C/c1cc2ccc(Cl)cc2n1C(=O)C[C@@H](C)CC(=O)O 299838974 PDJASCSKSNEQFL-PSKZRQQASA-N 361.869 5.639 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2c(Cl)c(Cl)cnc2[nH]1 586880010 WOANNABSQCAXMO-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF Clc1cc(Br)cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586883969 FOBCIRRZNXKNKW-UGSOOPFHSA-N 373.681 5.350 0 1 FKAF CCCCC1CCC(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CC1 586884967 SJWSSTMDUCPTDZ-UHFFFAOYSA-N 364.558 7.178 0 1 FKAF CC(C)C[C@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989873 GJWSFNOEPMHEPC-CQSZACIVSA-N 357.453 5.618 0 1 FKAF Clc1ccc(-n2cccc2)cc1-c1nc2ccc(Br)cc2[nH]1 587049986 LIICURMRXRFBCX-UHFFFAOYSA-N 372.653 5.437 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc4cccc(F)c4o3)nc3cccc1c23 587103419 GOUFZCWGLKBFDF-UHFFFAOYSA-N 365.363 5.999 0 1 FKAF O=C(O)c1ccc(-c2cc(-c3nc4ccc(F)cc4[nH]3)ccc2F)cc1F 587138212 CCUTWMGECXPBPJ-UHFFFAOYSA-N 368.314 5.012 0 1 FKAF C[C@H](CCCCC(=O)O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587205936 DSQGCEMMAPUZQG-CQSZACIVSA-N 359.425 5.195 0 1 FKAF Cc1c([C@@H]2CCCCN2C(=O)OC(C)(C)C)nc2cccc3c2c1CC3 587211998 KDJUJFFGDVPGDP-SFHVURJKSA-N 352.478 5.104 0 1 FKAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3ccccc32)[C@H]1c1ccc(F)cc1 587347985 BVIIJBSPFYCMBI-LADGPHEKSA-N 374.411 5.122 0 1 FKAF CCCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1Cl 587462197 NLMGMIZWSRMEJT-FQEVSTJZSA-N 374.864 5.493 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1sc3ccccc3c1C)CC2=O 587493823 GWELHHXAKUWJRU-GOSISDBHSA-N 352.455 5.574 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(Cl)cccc3s1)CC2=O 587494021 HMTCIRHDLVIYRL-KRWDZBQOSA-N 372.873 5.919 0 1 FKAF C[C@]1(c2cccc(C3CCC3)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501007 FFCCWRXEGUEYMS-XMMPIXPASA-N 364.460 5.853 0 1 FKAF CCCCn1nc(C)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504514 WTVJMXGKCYRVRJ-SFHVURJKSA-N 372.896 5.230 0 1 FKAF O=C1C[C@@H](c2cc(F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587504625 FRBHYLGEOKDJNL-SFHVURJKSA-N 364.338 5.430 0 1 FKAF CCCC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587507260 VJICMVFTYUYZSO-HSZRJFAPSA-N 352.449 5.755 0 1 FKAF CCCCCc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522594 JDHWTBBBNXHLGR-VWLOTQADSA-N 362.513 6.179 0 1 FKAF Cc1cccc(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587696358 TXFQYSLILAGMJR-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2Cl)N1 587722201 RYTIAWYUNGJULL-ZKANADHPSA-N 372.640 5.004 0 1 FKAF CC(C)CC[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813657 DLEFBGZJIJEOOK-KPZWWZAWSA-N 354.307 5.164 0 1 FKAF Cc1oc2ccccc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587826598 FJDLJEZBSIRKPN-OVWNDWIMSA-N 374.253 5.266 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Cl)cc1Cl 587869576 MRDIAUHUDBPCHS-UHFFFAOYSA-N 351.208 5.384 0 1 FKAF Fc1ccc(-c2csc(-c3ccc(Oc4ccccc4)cc3)n2)cc1F 587922173 KRADLGHLYHOWBU-UHFFFAOYSA-N 365.404 6.548 0 1 FKAF CC/C(=C\c1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccc(C)cc1 587968005 RFWBUNBNIWTXNA-HMMYKYKNSA-N 368.480 6.401 0 1 FKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)C1 587970129 ZMESRAUDKGBWHC-NXEZZACHSA-N 360.807 6.045 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1ccc(-c2c(F)cccc2F)o1 963091640 JBXBWAOAHMASCF-QRQCRPRQSA-N 369.386 5.474 0 1 FKAF Cc1ccc(CN(Cc2ccc(C)cc2)C[C@H](O)/C=C/c2ccccc2)cc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c1cccc([C@H](N)c2nc(-c3csc4ccccc34)cs2)c1 61930486 BHYHJQJIHXVQSM-SFHVURJKSA-N 352.484 5.082 0 3 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1ccc(Cl)nc12 6018437 GBPPARBNOIMUAG-ASOAYHERSA-N 357.925 5.072 0 1 FKAF CCOC(=O)[P@@](=O)(O)CCC/C=C(\C)CC/C=C(\C)CCC=C(C)C 13649966 HRXCNRJEJSAMPX-XYAZGONESA-N 370.470 6.613 0 1 FKAF CCC(=O)c1cc2c(o1)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2 13651811 BRNOSSNGWQHLRG-XNXCBWKESA-N 370.533 5.191 0 1 FKAF CCC(=O)Nc1ccc2c(c1)[C@@H](c1ccccc1)Oc1cccc(OC)c1-2 26174980 DYDOIAFFGMROAL-HSZRJFAPSA-N 359.425 5.193 0 1 FKAF Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccccc12 28344587 LKVQGUGNUBMCCE-UHFFFAOYSA-N 355.865 5.305 0 1 FKAF Cc1ccc(-c2ccc3c4c([nH]c3c2)-c2cc(O)c(C(=O)O)cc2CC4)cc1 34893868 PSZGPPRBPMPRLQ-UHFFFAOYSA-N 369.420 5.313 0 1 FKAF COC(=O)c1[nH]c2ccccc2c1-c1cccc2c1sc1ccccc12 40430840 HVXMQNFWGLOAAN-UHFFFAOYSA-N 357.434 5.989 0 1 FKAF Cc1ccccc1NC(=S)N[C@@H]1CC(C)(C)Oc2ccc(Cl)cc21 40881133 MSWIGNQSZFUTDM-MRXNPFEDSA-N 360.910 5.237 0 1 FKAF c1cc(-c2ccc(Oc3ccc(OC[C@@H]4CCCCN4)cc3)cc2)cs1 49784749 GLLLFAXFNZDBAF-IBGZPJMESA-N 365.498 5.728 0 1 FKAF O[C@@]1(C(F)(F)C(F)(F)F)CCCc2c1[nH]c1cc(Cl)c(Cl)cc21 64559718 QBSXZCAAQUKLIN-LBPRGKRZSA-N 374.136 5.196 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2cccs2)C[C@@H](c2ccco2)C1 103904970 LDZAMZUVOCMEHH-ASSNKEHSSA-N 362.454 5.970 0 1 FKAF O=C1/C(=C/c2ccc(Cl)cc2)[C@H](NC2CCCCC2)c2ccccc21 146627068 FKAPSKXJLAROGM-JCZXDDDQSA-N 351.877 5.583 0 1 FKAF Cc1ccc(Nc2nnc([C@@H](C)Oc3ccc(Cl)c(Cl)c3)o2)cc1 169702760 IKCNFEJZJHESQV-LLVKDONJSA-N 364.232 5.568 0 1 FKAF CCc1ccc(-c2nc(-c3nc4cc5ccccc5cc4[nH]3)cs2)cc1 587016011 NCGIKBNWJVYGCU-UHFFFAOYSA-N 355.466 6.069 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 587070752 WJNGLQCRVGIMNB-QMMMGPOBSA-N 352.743 5.010 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H]1C[C@H]4[C@H]3CCC[C@@H]31)-c1ccccc1C2=O 587101482 UINHEKXSAYLLKL-KODHJQJWSA-N 351.449 5.755 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc(C(=O)O)c4)nc13)-c1ccccc1C2=O 587101982 RVKMOMDYRGPDHY-UHFFFAOYSA-N 365.388 5.120 0 1 FKAF Cc1cc(Cl)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C 587103848 MATZTGPESNHNJH-UHFFFAOYSA-N 369.851 6.383 0 1 FKAF FC(F)(F)Sc1ccc(/C=C/c2nc3cc4ccccc4cc3[nH]2)cc1 587125918 VPNXAMGEEFAVRT-JXMROGBWSA-N 370.399 6.498 0 1 FKAF Cc1c(-c2ccc3c(c2)CCO3)nc2cccc3c2c1-c1ccccc1C3=O 587209640 RGUNYQBEUVVZGJ-UHFFFAOYSA-N 363.416 5.357 0 1 FKAF O=C(/C=C\c1nc2ccc(Oc3ccccc3)cc2[nH]1)Nc1ccccc1 587243111 AOORRUDZWXLKAO-YPKPFQOOSA-N 355.397 5.007 0 1 FKAF CC(C)C[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354824 OVGUWOGGBNPYQV-IRLDBZIGSA-N 356.437 5.331 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc([C@H](C)CC)cc1)CC2=O 587490627 SDKYYLWOAFSKHA-VOIUYBSRSA-N 366.501 6.129 0 1 FKAF C[C@@]1(CCc2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501554 PAMRLDAXSCXWTQ-JOCHJYFZSA-N 354.877 5.576 0 1 FKAF O=C1C[C@@](c2ccc(F)cc2)(c2cccnc2)Oc2c1ccc1c2CCCC1 587503151 CXOXPCIRHQSTSR-XMMPIXPASA-N 373.427 5.009 0 1 FKAF Cc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504308 QXHJPYDMRNLESW-LJQANCHMSA-N 371.274 5.343 0 1 FKAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1C 587515401 MFYNRGZKJCHXLE-DEOSSOPVSA-N 359.469 5.246 0 1 FKAF O=C1C[C@@]2(CCCC[C@@H]2Cc2ccccc2)Oc2c1ccc1c2CCCC1 587526057 QKTBCMQBKPMPFC-CJFMBICVSA-N 360.497 5.702 0 1 FKAF CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2ccc([C@@H](C)CC)cc12 587642665 OFRVVAXQAYQIPC-AWEZNQCLSA-N 372.509 5.261 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3ccc(F)cc3Br)c2c1 587643797 WWEPCGCNZBGJTE-NSHDSACASA-N 360.270 6.558 0 1 FKAF CC[C@@]1(Cc2nc3ccc(SC)cc3[nH]2)CC(=O)c2ccccc2C1 587959990 JRHFZFGPZACHOP-NRFANRHFSA-N 350.487 5.053 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3cccc(C(C)(C)C)c3[nH]2)cc1 587960142 WIPBVNLXCHKBJB-UHFFFAOYSA-N 354.497 6.427 0 1 FKAF Cc1ccnc([C@@]2(c3ccccc3Cl)NCCc3c2sc(C)c3C)c1 963018141 DZKZRCWRVKCYFO-OAQYLSRUSA-N 368.933 5.159 0 1 FKAF COC(=O)[C@H](O)CC(C)=CCC[C@@H](C)C=CC=C(C)CCCc1ccoc1 2356439234 JHGCSAXOTKATLR-PGRDOPGGSA-N 374.521 5.391 0 1 FKAF CCC=CCC=CCC=CCC=CCC[C@@H](OC(C)=O)[C@@H](C)NC(C)=O 2356685836 HQDNKZPSRKEKML-DENIHFKCSA-N 361.526 5.028 0 1 FKAF CCCCc1c(-c2ccc(F)cc2F)ncn1CCc1ccccc1OC 95565991 BSDTXQKVAPAVKV-UHFFFAOYSA-N 370.443 5.422 0 3 FKAF Cc1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2)CCCC1 1486576 DCYJVKSJIBPVJR-UHFFFAOYSA-N 350.506 5.752 0 1 FKAF Clc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1c[nH]c3ccc(Cl)cc13)N2 6567464 MSBZEIJDAKWUEE-RQUSPXKASA-N 359.256 5.719 0 1 FKAF CCCCOc1ccc([C@@H](CC(=O)O)c2cccc(C(F)(F)F)c2)cc1 14978883 OZLDPXLCYNTPCW-GOSISDBHSA-N 366.379 5.491 0 1 FKAF CC(C)c1ccc(O[C@@](C)(Cc2ccc3c(c2)CCCC3)C(=O)O)cc1 27527176 UVDUQUPQNYWRMH-QHCPKHFHSA-N 352.474 5.154 0 1 FKAF COc1ccc(-c2nnc(Nc3ccccc3)s2)cc1OC1CCCC1 71318185 JKSBYLNURCSKCS-UHFFFAOYSA-N 367.474 5.279 0 1 FKAF Clc1ccc(CNCCCNc2nc3ccccc3s2)cc1Cl 84632474 CASYQUDBSHTZAF-UHFFFAOYSA-N 366.317 5.195 0 1 FKAF Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)s1 95581689 QJRNGUJKBMYZJH-SFHVURJKSA-N 354.862 5.481 0 1 FKAF O=C1C[C@H](c2cccs2)Sc2ccccc2N1CC1CCCCC1 95587247 XKCLBYTZJUAOOF-LJQANCHMSA-N 357.544 5.899 0 1 FKAF O=C1c2c(ccc3ccccc23)OC[C@H]1c1ccc(Oc2ccccc2)cc1 103231159 MVCYWOXPHRRABH-QFIPXVFZSA-N 366.416 5.991 0 1 FKAF CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)NCCO 138672843 HPZWGIGIINAFKI-VVFVXTANSA-N 361.570 5.487 0 1 FKAF Cc1cc(Cc2cc(-c3ccccc3)cc(-c3ccccc3)c2)n(O)c(=O)c1 299837611 RUVIUZHCYXDQTQ-UHFFFAOYSA-N 367.448 5.319 0 1 FKAF Clc1ccccc1OCc1ccc(-c2nc3nccc(Cl)c3[nH]2)o1 587064139 BUJXABKVCCWHPW-UHFFFAOYSA-N 360.200 5.104 0 1 FKAF COc1cc(C)c(C)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108229 ZZQODDFCRQNFCR-UHFFFAOYSA-N 365.432 5.739 0 1 FKAF Fc1ccc(/C=C\c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(F)c1 587148639 JFFFIEFZBYMDEJ-KXFIGUGUSA-N 356.319 5.623 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(Cl)c1Cl)CC2=O 587460443 GDLJPFUYRZGGAW-MRXNPFEDSA-N 351.229 5.358 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3ccc(Cl)cc3n1)CC2=O 587463283 VETCTCPOXZNSSA-HXUWFJFHSA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c4c(cccc14)CC3)CC2=O 587490187 RZLGQVWSUUTYGA-VWLOTQADSA-N 372.464 5.477 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cnc(C3CCCCC3)s1)CC2=O 587494922 MLUHYBZJFALCIG-SFHVURJKSA-N 371.502 5.555 0 1 FKAF O=C1C[C@@H](c2ccc3cc(Cl)ccc3n2)Oc2c1ccc1c2CCCC1 587497732 GHCYVFYQIBWLSG-NRFANRHFSA-N 363.844 5.474 0 1 FKAF O=C1C[C@H](c2ccc(Oc3ccccc3)nc2)Oc2c1ccc1c2CCCC1 587515788 RJURAVFXUPIYSG-JOCHJYFZSA-N 371.436 5.459 0 1 FKAF O=C1C[C@@](CC2CCCC2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587521414 FJYLAFXYTRLTPA-VWLOTQADSA-N 360.497 6.006 0 1 FKAF Cc1nc(C(C)C)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531470 KVFNWPAGJLAISX-NRFANRHFSA-N 355.503 5.334 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](C)C2CCCCC2)N1 587813524 OKGYKDZRLWMTNN-VLXJIEOASA-N 368.334 5.554 0 1 FKAF CC/C=C(\c1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821915 YRPIITRJSYIYJN-GTSZMSSWSA-N 374.297 5.657 0 1 FKAF Cc1ccc(-c2csc(COc3ccccc3-c3ccccc3)n2)cc1C 587920709 LKXAXIKXONLVLN-UHFFFAOYSA-N 371.505 6.673 0 1 FKAF CC[C@]1(Cc2nc3ccc(Cl)c(C)c3[nH]2)CC(=O)c2ccccc2C1 587960024 JXSGAZCISPCZGE-OAQYLSRUSA-N 352.865 5.293 0 1 FKAF CSc1ccc(CN2CCC(F)(F)[C@H](CCc3ccccc3)C2)cc1 1772622021 IVQYNOJTBIAFAN-LJQANCHMSA-N 361.501 5.499 0 1 FKAF Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1-c1ccc(N(C)C)cc1 1772627517 UWZMHLDWOAOKOG-UHFFFAOYSA-N 356.473 5.079 0 1 FKAF COc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3ccc(C(C)(C)C)cc32)cc1 13829948 HMQOODPDZMLNMI-DHLKQENFSA-N 372.508 6.648 0 1 FKAF O=C(O)[C@@H]1C[C@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 14978922 ABFWFUAKPRLLAW-FCHUYYIVSA-N 359.425 5.279 0 1 FKAF CCC(C)(C)c1noc(NC(=O)Nc2cccc(Cl)c2Cl)c1C 26170372 ZXARGFMTFRFARW-UHFFFAOYSA-N 356.253 5.621 0 1 FKAF CCCCCCc1oncc1C(=S)Nc1ccc(OC(F)(F)F)cc1 26281749 SDAHPIOXSQDXBF-UHFFFAOYSA-N 372.412 5.484 0 1 FKAF CC1=CC[C@H]2[C@@H](C1)c1c(O)cc([C@@H](C)[C@@H](C)C3CCCC3)cc1OC2(C)C 26667389 USDMFBBEDJJVQK-OVQGTLEDSA-N 368.561 6.933 0 1 FKAF CC(C)Nc1nc2ccc(-c3ccnn3-c3ccc(Cl)cc3)cc2s1 29041781 GHFPMLUHZLHBCD-UHFFFAOYSA-N 368.893 5.623 0 1 FKAF CCOc1ccc(-c2nc(OC)c(NC(CC)CC)nc2C)c(Cl)c1 34055425 VDRMLMFCKUCYPK-UHFFFAOYSA-N 363.889 5.113 0 1 FKAF Clc1ccc(C2(OCc3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1Cl 45245668 SGWFXQFBBZKSIH-XEWABKELSA-N 362.300 5.320 0 1 FKAF Cc1ccc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)c(C)c4)c3c2)cc1C 45334788 HAMDKHMFDLNHRY-UHFFFAOYSA-N 356.425 5.520 0 1 FKAF Fc1ccc(-c2[nH]cc(C3=CCN4CCC[C@H]4C3)c2-c2ccncc2)cc1 64311294 OSLWXIZAFXKEFT-FQEVSTJZSA-N 359.448 5.134 0 1 FKAF C[C@H]1CC[C@H](NCc2ccc3c(c2)Cc2c(-c4ccc(O)cc4)n[nH]c2-3)CC1 101107529 UZYWNMNHDXLFCZ-GLRZTSSQSA-N 373.500 5.022 0 1 FKAF Cc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1C 587015274 JRFKSHWNOJDCJV-UHFFFAOYSA-N 374.296 6.277 0 1 FKAF Cc1c(Cl)ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116111 NYMYVLOKPZMUBN-UHFFFAOYSA-N 362.742 5.154 0 1 FKAF Cc1ccc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(F)c1 587144793 AMORFECDECQBOO-UHFFFAOYSA-N 363.230 5.227 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(Cl)c3)o1)O2 587378184 MVQPNABEABGLLX-LJQANCHMSA-N 353.805 5.197 0 1 FKAF CCOc1ccc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)cc1 587634239 VRGAQQGVMYRKKE-UHFFFAOYSA-N 351.299 5.118 0 1 FKAF Cc1cccc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 587801060 CYFLQDNSHPCJSA-NSPYISDASA-N 373.269 5.002 0 1 FKAF CC(C)[C@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587819026 GIMAROGKEQTZDY-DFHBCGBQSA-N 354.307 5.164 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c2)c1 587933596 RXOMZYGHWWBDMY-UHFFFAOYSA-N 373.456 5.304 0 1 FKAF Cc1c(-c2csc(Nc3ccc(-c4cnco4)cc3)n2)oc2ccccc12 621429294 ZZPZJXJXJFETHQ-UHFFFAOYSA-N 373.437 6.263 0 1 FKAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(C2CCCC2)s1 963036932 PXQXILDZHXTMST-JOCHJYFZSA-N 364.514 5.198 0 1 FKAF C[C@@H]1Cc2ccc(Cl)cc2[C@@]12NCCc1c(Cl)cc(Cl)cc12 963115186 ZXGBGTZAKZMNLS-MGNBDDOMSA-N 352.692 5.228 0 1 FKAF COc1ccc(Cl)c2c1CCN[C@@]2(CC(C)(C)C)c1ccc(C)c(C)c1 963256764 DSZKOWFOPRJVMQ-QHCPKHFHSA-N 371.952 5.791 0 1 FKAF Fc1ccc(Nc2n[nH]c3cc(-c4ccc(F)c(F)c4)ccc23)cc1F 1772652495 ULKXMRSVFAZCMY-UHFFFAOYSA-N 357.310 5.530 0 1 FKAF COC1=CC(c2cccs2)=NC1=CC=C1N(C)c2ccccc2C1(C)C 1857545901 WRUYATRJYCDGHT-UHFFFAOYSA-N 362.498 5.277 0 1 FKAF Cc1ccc2c(-c3cc4cc(Br)ccc4oc3=O)coc2c1 1857587150 ICJJQBYTVVLDND-UHFFFAOYSA-N 355.187 5.277 0 1 FKAF C[C@@H]1C[C@@H](C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)CC(C)(C)C1 1857649416 QXUOVFNBNKFRES-GHMZBOCLSA-N 370.440 5.716 0 1 FKAF C1=CCCNCCCNC[C@H]2[C@H]3CCCC[C@H]3C=C[C@H]2C=CCCCCC1 2356337394 YMEPYIIXGBBSMO-FQUZAXHOSA-N 370.625 5.631 0 1 FKAF c1ccc2c(c1)Oc1cnccc1C2=C1c2ccccc2Oc2cnccc21 2356720214 UDNTYFHPLXXPLF-UHFFFAOYSA-N 362.388 5.695 0 1 FKAF CC(C)c1cccc(-c2ccc3nnc(-c4ccc5c[nH]nc5c4)n3c2)c1 2382232917 JEKZHDGGTNMWRC-UHFFFAOYSA-N 353.429 5.063 0 1 FKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(c3cc(O)cc(O)c3)=CCC[C@@]21C 578233 ZVXVVEZHAFMBBV-DCHFCWSPSA-N 372.549 5.885 0 1 FKAF CCOC(=O)/C=C(C)/C=C/C=C(\C)c1ccc2c(c1)C(C)(C)CCS2 1550916 WKVFYYUDAKPCPT-OOUGZNGESA-N 356.531 5.929 0 1 FKAF CCCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ncc[nH]1 13472121 BHXMUQYUZGAKIO-UHFFFAOYSA-N 354.477 5.363 0 1 FKAF C[C@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)C1(O)c1ccccc1 17141148 HEXUVKQFPIUPML-XJQVADTOSA-N 371.524 5.574 0 1 FKAF O=C(C[C@H](SC(=S)N1CCCC1)c1ccccc1)c1ccccc1 34640816 BVDHRWFXTFFLGS-IBGZPJMESA-N 355.528 5.115 0 1 FKAF CCCCC[C@H](O)/C=C/C(O)=C(/O)C/C=C/CCCCCCC(=O)O 40165196 PBCZCSXKHMNACJ-PNLTVJKTSA-N 354.487 5.183 0 1 FKAF endogenous,in-man Cc1cccc(C)c1CNc1cc(-c2ccccn2)cn2c(C)c(C)nc12 40829026 CGEKXOQYPSFQKH-UHFFFAOYSA-N 356.473 5.242 0 1 FKAF CCc1ccc(-c2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 49803834 GZNKMJLMNBERTG-UHFFFAOYSA-N 362.469 5.982 0 1 FKAF CC(=O)[C@@H]1CC[C@H]2CC[C@@H]1N2CCC=C(c1ccccc1)c1ccccc1 66165914 WRSAFOGQFQCOPC-LSQMVHIFSA-N 359.513 5.340 0 1 FKAF Cc1ccc(S(=O)(=O)c2cc3cc(F)ccc3c3sc(C)nc23)cc1 84706995 LCAYKDMMVIEREZ-UHFFFAOYSA-N 371.458 5.038 0 1 FKAF CCN(CC)C(=O)c1c(CCc2ccc3ccccc3c2)cccc1OC 95591304 VKNKMTVZKYNJSH-UHFFFAOYSA-N 361.485 5.116 0 1 FKAF CCCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 96907874 KUMGQHLIVKEJOE-UHFFFAOYSA-N 352.909 5.141 0 1 FKAF CC[C@H](COc1ccc(Cl)c(Cl)c1)OC(=O)NCc1ccccc1 103193999 MIGIJAJHKGNUPX-CQSZACIVSA-N 368.260 5.077 0 1 FKAF CC(C)CC[C@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197787 JLUIDEVPLCSUIV-NSHDSACASA-N 373.444 5.292 0 1 FKAF CCCCOC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(C)C 103239789 KEHYWWBLKZCPPG-UHFFFAOYSA-N 358.486 5.025 0 1 FKAF CCCCS(=O)(=O)c1sc2ncccc2c1-c1ccc(Cl)cc1 138707918 GQKJRPKLRQHUEP-UHFFFAOYSA-N 365.907 5.191 0 1 FKAF COc1ccc(-c2cc3c(s2)Cc2c(-c4ccc(OC)cc4)n[nH]c2-3)cc1 205809320 DIEURDLEWWOVNF-UHFFFAOYSA-N 374.465 5.394 0 1 FKAF CC[C@@H](Nc1cc(-c2cccc(OC)c2)nc(C)n1)c1cccc(OC)c1 205831827 LDDOTNINPSBYSC-HXUWFJFHSA-N 363.461 5.032 0 1 FKAF C[C@@H](Sc1ncccn1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586964235 ZSUZGCVTVJYYBJ-CYBMUJFWSA-N 364.499 5.357 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1 587036536 FHDQMTKWDQRTQX-CYBMUJFWSA-N 374.840 5.675 0 1 FKAF Oc1nccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587060158 CMEUHJWLARAZDE-UHFFFAOYSA-N 372.815 5.199 0 1 FKAF CNc1cc(Cl)ccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587067133 OTXGTQHHXDTKCL-UHFFFAOYSA-N 371.065 5.341 0 1 FKAF CCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1F 587102568 APJULNKPFVZWEV-UHFFFAOYSA-N 369.395 5.651 0 1 FKAF O=C1c2ccccc2-c2c(CCOCc3ccccc3)cnc3cccc1c23 587107734 UXUISGRIRPXSLR-UHFFFAOYSA-N 365.432 5.206 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(-c4ccccc4)o3)nc3cccc1c23 587207580 SLTXWBSFRKMLES-UHFFFAOYSA-N 373.411 6.373 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)c1ccccc1C(F)(F)F)O2 587381440 IZMYTDSFWNBJHT-CWTRNNRKSA-N 363.379 5.124 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3ccccc3)cc1)O2 587397750 ARYZFOQUMNYNAB-XMMPIXPASA-N 373.452 5.037 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)c(CC)c1)CC2=O 587480796 PJJPIEMCKVQFLQ-OAQYLSRUSA-N 354.446 5.012 0 1 FKAF Cc1cccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c1 587534840 ZULUHBKXHKTPPZ-HSZRJFAPSA-N 358.437 5.840 0 1 FKAF CC(C)COc1cccc(OCc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 587565521 CUAJPEKDLOWJLC-UHFFFAOYSA-N 364.367 5.196 0 1 FKAF O=C(O)c1cccc2c(OCc3ccccc3)c(-c3ccc(F)cc3)[nH]c12 587638704 UABJRDDRPVHZBD-UHFFFAOYSA-N 361.372 5.251 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cl)c2F)N1 587727580 OIJLEKHXCBEGLD-VPTHRUTESA-N 372.640 5.004 0 1 FKAF CC(C)=CC[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815975 RZEINKPKLDMHPH-KPZWWZAWSA-N 352.291 5.084 0 1 FKAF CCC[C@@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587845237 DALULYPWITWCLQ-DIFFPNOSSA-N 368.315 5.228 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587951360 KQNDXMWVGRAMLN-AWEZNQCLSA-N 372.403 5.181 0 1 FKAF FC1(F)CCN(Cc2cc3ccccc3s2)C[C@@H]1CCc1ccccc1 1772614031 VURSIPBYOGIYRQ-IBGZPJMESA-N 371.496 5.991 0 1 FKAF Cc1nc2ccccc2c(-c2cccc(F)c2)c1[C@H](OC(C)(C)C)C(=O)O 1857653371 SDGVLLXVZRDYEG-FQEVSTJZSA-N 367.420 5.290 0 1 FKAF CC(=O)c1sc2nc(-c3cccs3)cc(-c3cccs3)c2c1N 663535 OEFGVIUUZUNIOO-UHFFFAOYSA-N 356.497 5.538 0 1 FKAF C=C/C=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C 3961379 ZLFZRFFZFFSSEP-PNLBIFSCSA-N 356.594 7.866 0 1 FKAF CC(C)(C)c1cc(CC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1 13474638 VWISUWJOZVMOBK-UHFFFAOYSA-N 367.880 5.004 0 1 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(C)cc1)Oc1ccccc1-3 13777111 NTXRXSSTKKNELF-VWLOTQADSA-N 367.492 6.751 0 1 FKAF CCN(CC)[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21 26579028 FIJOQRLYVALYIU-OXQOHEQNSA-N 364.316 5.921 0 1 FKAF CCC1(CC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 26818271 DXRCEZLHQFJEED-FQEVSTJZSA-N 370.500 5.460 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC1=CC(=O)OC1 27715821 NSOLOFCWLXZPAF-MLAGYPMBSA-N 370.577 7.396 0 1 FKAF COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3Cl)O[C@@H]2C)c(OC)c1 28567081 CNLAPZPTMSMSFU-RWTORFTKSA-N 367.272 5.644 0 1 FKAF Cc1cc2c(cc1C)C[C@](CCN(C)C)(c1ccc3ccccc3c1)OC2 53246815 YMOHKUBSMBRLSY-RUZDIDTESA-N 359.513 5.377 0 1 FKAF CCCC[C@H](CC)[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 59529652 KCOVIXLDRHLDSU-ZNBICKNKSA-N 366.542 5.140 0 1 FKAF O=C(O)c1cc2sccc2c(Nc2cccc(Oc3ccccc3)c2)n1 66099346 BCALOKFZHDVXBA-UHFFFAOYSA-N 362.410 5.530 0 1 FKAF CCCCCCNc1cccc(NC(=O)c2ccc(OCCC)cc2)n1 96273389 KGMOLCYKYDUXAH-UHFFFAOYSA-N 355.482 5.115 0 1 FKAF Oc1c(-c2ccc(F)cc2)c(-c2ccncc2)nn1-c1ccc(Cl)cc1 100033054 FNKVMIBWGQCPFN-UHFFFAOYSA-N 365.795 5.099 0 1 FKAF Cn1s/c(=N/c2cccc(Cl)c2Cl)nc1-c1ccc(Cl)cc1 103185217 ICRWQDIFCYRKEX-XDJHFCHBSA-N 370.692 5.341 0 1 FKAF C[C@@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)c1ccccc1 255976058 HEXUVKQFPIUPML-QSWKYWCCSA-N 371.524 5.574 0 1 FKAF Cc1cc(Cl)cc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586978978 DQDHFQPBEHSVFQ-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF Clc1ccc(Br)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 586980309 OQMWFNCMDHDHOY-UHFFFAOYSA-N 361.670 5.525 0 1 FKAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(Br)c(C)c2[nH]1 587027991 KYYKERNMJFKXKS-UHFFFAOYSA-N 373.279 5.061 0 1 FKAF Cc1c(F)cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1F 587135325 ZCIUISYVZVHRNV-UHFFFAOYSA-N 352.409 5.968 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 587170875 VDZAHFKYTVWODR-SNVBAGLBSA-N 354.372 5.617 0 1 FKAF Cc1nc(C2CC2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587207524 GFNJAJFVEPLNTK-UHFFFAOYSA-N 368.461 5.756 0 1 FKAF CCC(=O)Cc1c(CC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366600 WVTBDYQSDVQSJA-UHFFFAOYSA-N 373.452 5.741 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(c1ccccc1)c1ccccc1)O2 587403633 PEYVOMLPNDOYKI-XMMPIXPASA-N 357.453 5.133 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC(C)C)(c1ccc(Cl)cc1)CC2=O 587462013 MMIRTPOZFLUSTE-JOCHJYFZSA-N 372.892 5.905 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccsc3)cc1)CC2=O 587495920 QKOMMUOMAYTJMT-NRFANRHFSA-N 364.466 5.780 0 1 FKAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cccc1C(F)(F)F 587505784 IPJZSLORLXSIIJ-LJQANCHMSA-N 360.375 5.599 0 1 FKAF Cc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1Cl 587507771 SOJJYDATSLFWBI-NRFANRHFSA-N 358.840 5.547 0 1 FKAF CC1=CC[C@H](C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C 587600963 DGLQKCIJNJCSSJ-XPGWFJOJSA-N 364.441 5.105 0 1 FKAF Cc1c(-c2ccc(F)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622783 SWNOKGYFLHNNLN-UHFFFAOYSA-N 362.177 5.060 0 1 FKAF O=C(c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc(F)c12)C(F)F 587633465 COALAVVDYVHLCZ-UHFFFAOYSA-N 358.146 5.729 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3c[nH]c4ccc(F)cc34)c(C(F)(F)F)c2c1 587640306 HCRZWMFNHPZCTL-LLVKDONJSA-N 374.381 6.988 0 1 FKAF Cc1cccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 587801212 DRSVKEVLGRLPMX-NSPYISDASA-N 373.269 5.002 0 1 FKAF CC1=C[C@@]2(CC(C)(C)C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587824807 YUFMCUVDLMEIRO-SGTLLEGYSA-N 352.291 5.084 0 1 FKAF CN(C)CCOc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 587920381 IYSPKAUPPPULQC-UHFFFAOYSA-N 358.894 5.071 0 1 FKAF Cc1cccc([C@@H]2[C@H]3C(=NN2C)c2ccccc2O[C@H]3c2ccccc2)c1 653893429 HITQDIVXKKINQX-JRFVFWCSSA-N 354.453 5.136 0 1 FKAF Cc1ccc(C)c([C@]2(C3CCCCC3)NCCc3ccc(F)c(C)c32)c1 962093253 PKGYASFOVLKNHI-DEOSSOPVSA-N 351.509 5.721 0 1 FKAF Cc1cc2c(cc1F)[C@@]1(C[C@H](c3ccccc3)Nc3ccccc31)NCC2 962094923 URGLDVUJGBASFP-RPWUZVMVSA-N 358.460 5.080 0 1 FKAF Cc1ccc(CCC[C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc1C 962667892 MOJRKHAEXBNEPT-SANMLTNESA-N 355.525 6.180 0 1 FKAF C[C@@H]1CCCCCCCCCC[C@]12NC[C@@H]1CC(=O)N(C)c3cccc2c31 963038716 YAGZSRRFDKEFEG-IMWIBFENSA-N 368.565 5.486 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccccn1)c1cc(C)ccc1C 963241643 NCXFKJNBTBNMFO-HFZDXXHNSA-N 370.540 5.647 0 1 FKAF C/C=C1/[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772635430 RZHXZHWJIBCTAW-KGYMDUMFSA-N 371.609 5.411 0 1 FKAF COc1ccc(C[C@H]2Cc3cccc(OCC4CCCCC4)c3C2=O)cc1 1857749496 PVEJMUSOHSLPSM-FQEVSTJZSA-N 364.485 5.252 0 1 FKAF CCC(=O)CCCCC[C@H](Oc1ccc2ccccc2c1)c1ncc(C)[nH]1 1911585498 RCSMXPWVWHBAHD-QFIPXVFZSA-N 364.489 5.921 0 1 FKAF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@]3(C)O)C(C)=CC[C@@H]12 2356359655 PNRUVGYCBDDNBW-YMFTYUKWSA-N 370.577 5.874 0 1 FKAF CC(C)=CCc1cc(C=Cc2cc(O)cc(O)c2)cc(CC=C(C)C)c1O 2356491248 DSEWUZWKAPKNNQ-UHFFFAOYSA-N 364.485 5.991 0 1 FKAF Fc1ccc2cnc(-c3ccccc3)c(-c3cccc(C(F)(F)F)c3)c2c1 36388757 BMCKNOIXEMOYOI-UHFFFAOYSA-N 367.345 6.727 0 3 FKAF CCCCc1c(-c2ccccc2OC)ncn1Cc1ccc(Cl)cc1 95565970 BICSIPGWMKTQEX-UHFFFAOYSA-N 354.881 5.603 0 3 FKAF Clc1cccc(-c2sc(-c3cccs3)cc2Cc2cccs2)c1 1637067 AMZUIAKUGFDSLB-UHFFFAOYSA-N 372.967 7.449 0 1 FKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H](C)C(=O)O 8689976 GODYQXVZARYDST-CRRUZKBJSA-N 351.531 5.389 0 1 FKAF O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@H](c2ccoc2)N1Cc1ccccc1 13661897 KSYOIXDDZBOZLY-SBFWRKJZSA-N 369.464 5.339 0 1 FKAF Cc1nc([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)c[nH]1 13765651 YYVJPYSXCHDNEY-MTMZYOSNSA-N 354.538 5.125 0 1 FKAF CCC/C=C/CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 26577267 QOMROHNKTZWVKQ-AATRIKPKSA-N 361.526 5.494 0 1 FKAF CC[C@@H]1CCCCN1CCC[C@@H]1[C@H]2CCCC[C@@H]2C[C@@H]2C(=O)O[C@@H](C)[C@@H]21 28006654 WZYQNTPWCRAGPJ-SAEBETIVSA-N 361.570 5.035 0 1 FKAF CCO[C@@H](c1ccc2sccc2c1)[C@H](SC(C)(C)C)n1ccnc1 45364715 IUJKCXJHRZUPQZ-ROUUACIJSA-N 360.548 5.906 0 1 FKAF CCCCCc1cc(CNC(N)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 45371500 JVFFXUMSIKGKGT-RTBURBONSA-N 370.537 5.199 0 1 FKAF Cc1c(F)ccc2c1NC(=O)[C@]2(c1ccc(O)cc1)C1CCCCCC1 64548784 FHEMJIITRFNOJI-QFIPXVFZSA-N 353.437 5.048 0 1 FKAF COc1ccc2c(c1)S[C@]1(c3ccccc3)C(=O)c3ccccc3C1=N2 84723568 PHUNPILSCJURHD-QFIPXVFZSA-N 357.434 5.014 0 1 FKAF CC1(C)[C@H]2C[C@H]1CC[C@H]2CNc1cc(Oc2cccc3cccnc23)ncn1 104930638 ISRLNFDIDBSOMI-KSZLIROESA-N 374.488 5.301 0 1 FKAF C[Si](C)(C)C1=C(Cl)C[C@H](Cc2ccccc2)O[C@@H]1C1CCCCC1 195251852 AOEXTAPBLBAWFN-AZUAARDMSA-N 363.017 6.337 0 1 FKAF CC/C=C\C/C=C/[C@@H]1/C=C\C/C=C\CCCCCCc2cc(O)c1c(=O)o2 198681430 UIBPNLCWECAQGD-TUBFNUDNSA-N 368.517 6.351 0 1 FKAF Cc1cccc2c1N=Cc1ccccc1C=Nc1c(C)cccc1OCCO2 253673371 HONVXEQPFLWISU-UHFFFAOYSA-N 370.452 5.576 0 1 FKAF Cn1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(C(F)(F)F)c1 474609692 SOBUXIFZZCWJGB-UHFFFAOYSA-N 370.296 5.792 0 1 FKAF Cc1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br 586886232 OPWWKEUWDCWHBP-LIRRHRJNSA-N 353.263 5.005 0 1 FKAF Cc1ccc(CSCCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 586970731 PDPPMISDCYZIDP-UHFFFAOYSA-N 350.409 5.366 0 1 FKAF O=C1c2ccccc2-c2cc([C@@H]3C[C@H]4C=C[C@H]3CC4)nc3ccc(O)c1c23 586992692 XYNIAZYNVCBVGK-GRDNDAEWSA-N 353.421 5.222 0 1 FKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cccc(F)c4[nH]3)c2)c1 587048399 AFBBKAJRIDVQIH-UHFFFAOYSA-N 350.780 5.502 0 1 FKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cccc(C(C)(C)C)c2[nH]1 587075171 DRNNIXDRARNWII-UHFFFAOYSA-N 364.880 5.675 0 1 FKAF Fc1cccc(-c2nc3ccc(Br)cc3[nH]2)c1C(F)(F)F 587098128 RMEQRIAYFAWLND-UHFFFAOYSA-N 359.120 5.150 0 1 FKAF CC(C)(C)c1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587133768 CAXPPWYCPIILNV-FPLPWBNLSA-N 366.333 5.726 0 1 FKAF Fc1ccc2c(-c3nc4cccc(OCc5ccccc5)c4[nH]3)coc2c1 587175204 RCCHYIGJCCUDSX-UHFFFAOYSA-N 358.372 5.694 0 1 FKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc3c(c2[nH]1)CCCC3 587201180 JBJNDMZOTYNFCY-UHFFFAOYSA-N 371.525 5.023 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(SC(F)F)cc1)CC2=O 587465738 JYOORIGMBIGSBX-KRWDZBQOSA-N 364.413 5.366 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](c3ccc(F)cc3)C1)CC2=O 587470122 DNWPZYAWABVZBS-NYHFZMIOSA-N 354.421 5.156 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1csc(Cl)c1Cl)CC2=O 587489817 DMUFHRJCWUXYLJ-ZDUSSCGKSA-N 357.258 5.420 0 1 FKAF CC(C)Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(Cl)cc1Cl 587628004 FEHPPKZBBIOBGD-UHFFFAOYSA-N 370.682 7.133 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)Nc3ccccc3)c2c1 587643275 SRIGFQLSLXBGAV-KRWDZBQOSA-N 368.480 6.601 0 1 FKAF CSc1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587782179 HDMOWGHCTMYFKN-UHFFFAOYSA-N 362.454 5.236 0 1 FKAF Brc1ccc(-c2c[nH]c3ccc(Br)cc23)cc1 1772621018 LVXQDDDIBRKVOF-UHFFFAOYSA-N 351.041 5.360 0 1 FKAF CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 1772641691 KMYGGZYNDYWFNT-UHFFFAOYSA-N 372.403 5.180 0 1 FKAF CCCCCCSc1ccc(C(=O)CC[N@]2C[C@H]2C)c(Cl)c1Cl 1857607041 APGLOJXHKLCBCF-LRTDBIEQSA-N 374.377 5.943 0 1 FKAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](N(C)C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356585639 WWWDIYZWGZOIBA-JCHWNXBYSA-N 371.565 5.001 0 1 FKAF CC1=C[C@](C)(C=CC=Cc2ccccc2)[C@](C)(C(=O)O)[C@@H]2C(C)=C[C@H](C)[C@H]12 2356705948 KNDMYWMVTUEPLZ-FCEVZBRPSA-N 362.513 6.142 0 1 FKAF C[C@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(N(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356723526 MCFFBNGJPPEVCQ-ZAEJXEKTSA-N 372.641 5.651 0 1 FKAF O=C(NCc1ccccc1)c1cc(OCc2ccccc2)c2ccccc2c1 2382228040 HYKUBDZSVBQKGX-UHFFFAOYSA-N 367.448 5.349 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccncc1 13741945 XAAZZZPPMNDFEH-CVGDDBFFSA-N 351.534 5.489 0 1 FKAF c1ccc(CN2Cc3c(-c4ccccc4)[nH]c(-c4ccccc4)c3C2)cc1 13835379 XPZIIJVAVYDHEE-UHFFFAOYSA-N 350.465 5.865 0 1 FKAF C[C@H](C(=O)O)c1ccc(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12 26642779 OCFXETOYQVQPIZ-LBPRGKRZSA-N 359.252 5.926 0 1 FKAF Nc1ccccc1NC(=O)c1ccc(Oc2ccc3ccccc3c2)cc1 27328780 XZPPLXMGLVOZAL-UHFFFAOYSA-N 354.409 5.467 0 1 FKAF Clc1ccc([C@@H](c2ccn(-c3ccc(Cl)cc3)c2)n2ccnc2)cc1 28231833 WNFWTALOSDILBM-FQEVSTJZSA-N 368.267 5.618 0 1 FKAF O=C(Oc1ccccc1)N1CCC(c2ccccc2Cc2ccccc2)CC1 39244734 WBNQWWCXFQXAKV-UHFFFAOYSA-N 371.480 5.656 0 1 FKAF CCOC(=C(Br)Br)c1ccc(Cl)cc1Cl 103289218 BBRPVQUXUWSQMK-UHFFFAOYSA-N 374.887 5.446 0 1 FKAF CCCCC1CCC(c2nc3c(F)cnc(Br)c3[nH]2)CC1 586893821 YVILXPWQKFAKTP-UHFFFAOYSA-N 354.267 5.324 0 1 FKAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1Cl 586993008 JMNVSTHIYUVKQI-UHFFFAOYSA-N 369.851 6.383 0 1 FKAF Cc1ccc2c3c(c(Cc4ccc(F)cc4)cnc13)-c1ccccc1C2=O 586997284 WYLUGKJLNWLRTQ-UHFFFAOYSA-N 353.396 5.485 0 1 FKAF Cc1c(F)ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc12 587031062 NZRSFXJAQNDGOB-LBPRGKRZSA-N 365.477 5.969 0 1 FKAF FC(F)(F)C(F)(F)c1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cn1 587043599 SKSJNRQWQMVYEB-LBPRGKRZSA-N 371.334 5.002 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(Cl)nc4[nH]3)ccc2F)cc1 587139498 MEFCILXRWRRMTQ-UHFFFAOYSA-N 365.795 5.287 0 1 FKAF CC(C)(C)[C@@H]1CCCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587207939 PARKIVODTRCQGK-OAHLLOKOSA-N 355.481 5.987 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccsc2C3)c1 587366850 QYGDMHDSUSIPBL-UHFFFAOYSA-N 369.445 6.289 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(CC)ccc1OCC)CC2=O 587477771 GPMXUOLEHWPPMX-OAQYLSRUSA-N 354.446 5.012 0 1 FKAF O=C1C[C@@H](c2ccc(N3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 587512993 HGEODGCPQVDHJD-QHCPKHFHSA-N 361.485 5.262 0 1 FKAF O=C1C[C@@H](c2cccc(-c3cccs3)n2)Oc2c1ccc1c2CCCC1 587530080 CRIAMXPLYLVRAE-FQEVSTJZSA-N 361.466 5.395 0 1 FKAF C[C@H]1C[C@@H](C)C[C@H]([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587604176 UZKMYNQDEVLLQY-FXDPBVHKSA-N 366.457 5.185 0 1 FKAF CCOC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2c(C)cc(Cl)cc12 587623929 ARFDMOLRHXGIHO-UHFFFAOYSA-N 359.828 5.432 0 1 FKAF COc1cccc(C)c1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587787013 PCERISSYRSJGPS-UHFFFAOYSA-N 374.284 5.585 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C)cs1 587861137 KDTLUMFRCMBPPO-UHFFFAOYSA-N 354.262 5.010 0 1 FKAF COc1ccc2c(c1)[C@](CC(=O)C(C)(C)C)(C(C)(C)C)N(C(C)C)CC2 962091112 LKGSDEMGQJAVQZ-HSZRJFAPSA-N 359.554 5.208 0 1 FKAF CCCCCCc1cn(Cc2cc3c(nc2C)-c2ccccc2CCC3)nn1 1857639145 YIIYKWMDLOGWHF-UHFFFAOYSA-N 374.532 5.308 0 1 FKAF C[C@H]1CCCCC(=CCl)C[C@@H](C(C)(C)C)CC(=O)CC=CN(C)C1=O 2356381494 PEHOQRLZZGCHCP-FUHWJXTLSA-N 367.961 5.693 0 1 FKAF O[C@H](c1cccc(Cl)c1)c1nc(-c2ccc(F)c(Cl)c2)cs1 61903984 OZZHWBQJFYGRFL-OAHLLOKOSA-N 354.233 5.338 0 3 FKAF Cc1ccc2nc(-c3cccc(Cl)c3)c(Cc3cccc(Cl)c3)n2c1 199371896 XGBGTIYEDJNNQY-UHFFFAOYSA-N 367.279 6.207 0 3 FKAF CCOC1=CC2=CC[C@H]3[C@@H]4CC[C@@H](OC(=O)CC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 1698743 NULCEDVSYYAIBD-OCCJOITDSA-N 372.549 5.801 0 1 FKAF biogenic CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(OC(F)F)cc3C)nccc21 13479641 ZCRMOTFHGJWGFR-CQSZACIVSA-N 373.447 5.932 0 1 FKAF COc1ccc(CCNC[C@@H](c2ccccc2)C2CCCCC2)cc1OC 27767768 WVULSEFPLGCOKE-QFIPXVFZSA-N 367.533 5.200 0 1 FKAF CCOc1ccc(-n2c(C)c3c(C)nnc(-c4ccccc4)c3c2C)cc1 28754690 CRVJTYWQGPEIGQ-UHFFFAOYSA-N 357.457 5.411 0 1 FKAF CN(C)Cc1ccc(C(F)(F)F)cc1Oc1ccc(Cl)c(Cl)c1 34044455 AAQZZAVVFRIEOD-UHFFFAOYSA-N 364.194 5.866 0 1 FKAF CS(=O)(=O)c1ccc(-c2ssc(=S)c2-c2ccccc2)cc1 38330948 CLJZUCRQXQYUTI-UHFFFAOYSA-N 364.538 5.277 0 1 FKAF CC1(C)C=Cc2c(ccc3oc(-c4cccc(Br)n4)cc23)O1 40431230 VOVOJPMFFXFNIW-UHFFFAOYSA-N 356.219 5.442 0 1 FKAF Cc1cc([C@@H]2[C@@H]3CC[C@H](C[C@@H]2c2ccc(Cl)c(Cl)c2)S3)on1 66100961 JHGFPQGHZNDWJN-YQPCPPDFSA-N 354.302 5.825 0 1 FKAF COc1ccc(C2=N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 84742060 OSCBYOFEILSZEM-DEOSSOPVSA-N 365.432 5.777 0 1 FKAF Cc1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](C)CC4)ccc2-3)cc1 101115321 GXUAMVYPUMPBMN-UEDWGHLCSA-N 371.528 5.625 0 1 FKAF CC[C@H](O)c1ccc(Br)c(Oc2cccc(Cl)c2)c1OC 169329370 TUIQKYUDKDMHMZ-AWEZNQCLSA-N 371.658 5.347 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)S1 169332973 HDPKJWICBWVRGV-XHSDSOJGSA-N 374.590 7.120 0 1 FKAF O=C(Nc1ncccc1OCc1ccc(Cl)cc1)NC1CCCCCC1 207005858 WCRMPNKYPQBZIL-UHFFFAOYSA-N 373.884 5.158 0 1 FKAF C[C@H](CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)OC=O)CC(=O)O 504693108 RJTQRENDRIOHRF-DWXZBXMZSA-N 352.515 5.052 0 1 FKAF biogenic CC[C@@]1(C)C[C@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 586892123 UFIGJELIMSKTJQ-KKSFZXQISA-N 350.418 5.045 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cccc(-c5ccccc5)c4O)[nH]c32)n1 586897183 SREXNOPDLPCQLO-UHFFFAOYSA-N 351.409 5.459 0 1 FKAF CC(C)c1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991792 QJXUULSLWQZFIC-UHFFFAOYSA-N 365.432 5.942 0 1 FKAF Cc1cc(Cl)cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587124117 IISAYWRIOOVCIL-DAXSKMNVSA-N 368.811 6.307 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(=O)[C@@H](C)[C@H]3C)c1 587365324 GTVPABALYGMGCU-OLZOCXBDSA-N 357.409 5.593 0 1 FKAF C[C@@H]1Cc2ccc(Cl)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587504578 WZVDFAREQOWKGW-DMZKTXOQSA-N 352.861 5.272 0 1 FKAF CCc1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 587628092 HZPFOEWZCOORDO-UHFFFAOYSA-N 352.634 5.952 0 1 FKAF O=C(c1c(-c2ccc(Br)cc2)[nH]c2cccc(F)c12)C(F)F 587634080 RLHZJSQOMNMSMN-UHFFFAOYSA-N 368.152 5.184 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(=O)C(=O)OC)c2c1 587641589 NBJRDABZCNTAFG-GFCCVEGCSA-N 369.848 5.358 0 1 FKAF CCCCC[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813773 PSYDSMRXHXJCMZ-DJJJIMSYSA-N 370.350 5.944 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(F)ccc1F 587856436 VXBRLPHJFKRLPF-UHFFFAOYSA-N 369.198 5.523 0 1 FKAF Cc1cc(OC(C)(C)C)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O 587944132 YOPPFLQRBPFJLZ-UHFFFAOYSA-N 357.400 5.614 0 1 FKAF CCCC/C=C/c1nc2cc(Br)c(Br)cc2[nH]1 587965291 JIIWSTUFDNNKAD-AATRIKPKSA-N 358.077 5.291 0 1 FKAF CC(C)(C)c1ccc(-n2c(O)cc(-c3nc4ccccc4s3)c2N)cc1 958064407 RERARAWZWVAGKE-UHFFFAOYSA-N 363.486 5.339 0 1 FKAF Cn1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c2ccc(F)cc21 962667768 VJXZBQANAUKWQF-XMMPIXPASA-N 356.444 5.220 0 1 FKAF c1ccc(-c2ccc3c(c2)CCN[C@H]3c2cnc(-c3ccccc3)o2)cc1 962673274 WNBSECIYYISTSG-HSZRJFAPSA-N 352.437 5.244 0 1 FKAF O=C(Nc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1)C1CCC1 1772575248 OLQGHYKZBYUIHX-UHFFFAOYSA-N 363.848 5.203 0 1 FKAF Clc1cccc(-c2cnc(Nc3ccccc3)nc2-c2ccccc2)c1 1772656348 VEHAFLNPYLBOIJ-UHFFFAOYSA-N 357.844 6.208 0 1 FKAF CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 1857632703 ZYRTVEUEGGIWQD-FWZVJVHHSA-N 352.518 5.624 0 1 FKAF COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)c(Cl)c2)c1 1857636584 SAJNMNFACDALOE-UHFFFAOYSA-N 369.804 5.099 0 1 FKAF CC=CCCCCCCC[C@@H]1[C@@H]2C=C[C@@H]3[C@H](C(=O)OC)C=C[C@@H]4C[C@@H]1[C@H]2[C@@H]43 2356419166 JBYCJIRPGDZNGC-YOEAQHCCSA-N 368.561 5.953 0 1 FKAF CC(=CCC[C@@H](C)[C@@]1(O)CC=C(C)CCC=C(C)CCC=C(C)CC1)CO 2356605239 YSQWNHGXBZOTNJ-JWQCQUIFSA-N 374.609 6.656 0 1 FKAF CC1=C[C@H](O)CC(C)=CC[C@]2(C)CC[C@]3(C)CCC(C)(C)[C@H](O)[C@@H]3[C@@H]2CC1 2356618293 MGTAYOKGQOZSLL-QDBPOVDSSA-N 374.609 6.034 0 1 FKAF CC(=CCCc1ccoc1)CC=C[C@]1(C)CC[C@@H]([C@]2(C)CCC(=O)O2)O1 2356746659 KJTXBIXWWIZNLF-NNWRFLSQSA-N 358.478 5.138 0 1 FKAF CC(C)=C[C@H](CC(C)=CCc1ccc2cc[nH]c2c1)c1ccc2cc[nH]c2c1 2356777641 ALEZJGJWOKXYLK-XMMPIXPASA-N 368.524 7.278 0 1 FKAF Brc1ccc(CN2CC[C@H]3C=CCc4cccc(c43)C2)cc1 36383134 RABUWGWSPOYGNO-QGZVFWFLSA-N 354.291 5.051 0 3 FKAF CC(C)=C[C@H](O)[C@@H](O)[C@H](C)CCC/C(C)=C/Cc1c[nH]c2ccccc12 14822526 JMJIEBPTDSDJNZ-UBDABNEJSA-N 355.522 5.151 0 1 FKAF C[C@H]1CN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)[C@@H](C)CN1C 22937967 VPBCZFXEYITWLJ-RIYHHTFRSA-N 372.915 5.080 0 1 FKAF Cc1ccccc1C[C@@H](Cc1ccc(-c2ccccc2)cc1)n1ccnc1 32090110 FLMGBBBLMSRRNE-RUZDIDTESA-N 352.481 5.885 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C=CCC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820812 BKSILWCNOQPQDI-VSRDABHLSA-N 374.565 5.283 0 1 FKAF Cc1cccc(Cl)c1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 84706675 SNQJTYSQPWWHKS-UHFFFAOYSA-N 360.910 5.073 0 1 FKAF CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)csc21 95593661 OZBJFLMZWUDPCT-UHFFFAOYSA-N 374.550 5.014 0 1 FKAF CN1[C@H]2CC[C@@H]1C[C@H](O[C@@H](c1ccc(F)cc1)c1cccc(Cl)c1)C2 103271709 ISSICWWQXUMDRL-BQJUDKOJSA-N 359.872 5.210 0 1 FKAF S=c1[nH]c2c(c(=S)[nH]1)[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 103290839 JTWKDJAZKVUSDU-MRXNPFEDSA-N 374.490 6.241 0 1 FKAF C/C(=C\CCc1ccoc1)C/C=C/[C@@]1(C)CC[C@H]([C@]2(C)CCC(=O)O2)O1 238748898 KJTXBIXWWIZNLF-MDLOFERNSA-N 358.478 5.138 0 1 FKAF Cc1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccccc3)[nH]c2c1 473114091 LVVZKJNFKATBSM-UHFFFAOYSA-N 350.425 5.391 0 1 FKAF CC(C)c1cc(-c2nc3cc(Br)ncc3[nH]2)c(O)c(C(C)C)c1 586896785 PPILRANXEXHEEX-UHFFFAOYSA-N 374.282 5.340 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(S)cc3)nc3ccc(O)c1c23 586992913 APHFWHJCIUBXCT-UHFFFAOYSA-N 355.418 5.108 0 1 FKAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587050051 MJYBDIMRDURGHB-UHFFFAOYSA-N 354.624 5.149 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(Cl)ncc2[nH]1 587074136 QQBYUSNJGYWBHP-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF FC(F)(F)c1cncc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587115150 FYEGHAQFTOIEDB-UHFFFAOYSA-N 369.346 5.223 0 1 FKAF CC(C)[C@@H]1c2ccccc2-c2nc3cccc4c3c(c21)-c1ccccc1C4=O 587206304 CGJHVWXUWVWWMJ-OAQYLSRUSA-N 361.444 6.215 0 1 FKAF CC[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356820 RYHBCDBJWPJMID-IRLDBZIGSA-N 354.421 5.229 0 1 FKAF COc1cccc(-c2cc(-c3cc(C)oc3C)nc3c2oc2ccccc23)c1 587364911 AQLGDRSHNMUDBP-UHFFFAOYSA-N 369.420 6.533 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)[nH]c3ccccc13)O2 587396628 MSWCAQMRVOUCSC-NRFANRHFSA-N 368.436 5.432 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cc(Cl)cc1Cl)[C@@H](C2)C3=O 587423859 WPTGSEKRTLSBAY-BTDLBPIBSA-N 369.631 5.144 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(C)cc1)CC2=O 587477629 DXPFCYPFLSQTCU-DEOSSOPVSA-N 372.464 6.027 0 1 FKAF COc1cc2c(cc1Cl)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587499189 HTNVJIYZIFAWNJ-JOCHJYFZSA-N 368.860 5.034 0 1 FKAF Nc1ccc2c(c1)-c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587510582 LRMXFRTZEULAFD-VWLOTQADSA-N 367.448 5.037 0 1 FKAF O=C1C[C@H](c2cccn2Cc2cccs2)Oc2c1ccc1c2CCCC1 587531544 LSWHPNZBTPDAKL-OAQYLSRUSA-N 363.482 5.183 0 1 FKAF O=C1C[C@@H](c2cccc(-c3nccs3)c2)Oc2c1ccc1c2CCCC1 587536067 QWNJNOVDGFDXOZ-FQEVSTJZSA-N 361.466 5.395 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccc(F)c3)c2c1 587642129 OWRHABKYWFLXQG-LLVKDONJSA-N 363.354 6.070 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cn(CC)nc3C)c(C(=O)C(F)F)c2c1 587643230 SOJKJUGJHYAWNT-LLVKDONJSA-N 359.420 5.321 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(=O)O)cc3)c(-c3ccccn3)c2c1 587643481 FVAWEZCOXHWUGH-OAHLLOKOSA-N 370.452 6.109 0 1 FKAF CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=C(C)C)CC1 587817893 NOACIUHVIGKOOC-DJJJIMSYSA-N 364.302 5.394 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)c2ccccc2)N1 587820068 ONMZMFCHJYKDFA-XIKOKIGWSA-N 362.286 5.141 0 1 FKAF Cc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587820788 RBJYCDRHUBLLEF-YJYMSZOUSA-N 362.286 5.137 0 1 FKAF Oc1cc(-c2ccccc2)c(O)n1CCCc1ccc(Cl)c(Cl)c1 587943256 SDZNCVJKTXYZRL-UHFFFAOYSA-N 362.256 5.506 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2ccc(Cl)nc2[nH]1 587957430 ZUFDLOOBEFTRNZ-UHFFFAOYSA-N 365.905 5.530 0 1 FKAF Cc1nc2[nH]c(/C=C\c3cccc4ccccc34)nc2cc1Br 587968103 KSHFYODJHIRHMU-KTKRTIGZSA-N 364.246 5.352 0 1 FKAF CCC[C@]1([C@@H](C)CC)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962630520 KAYGMMBUPKBALU-OPHFCASCSA-N 362.561 5.475 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3Cl)nc3c2oc2ccccc23)cc1 1772586609 ZKHLGTNSZYNORS-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF C[C@](O)(CCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1 1772600552 JHLFJHFGVLMJOV-SANMLTNESA-N 373.540 5.392 0 1 FKAF CC(C)CN(C(=O)C(F)(F)F)c1c(-c2ccccc2)[nH]c2ccccc12 1857585022 ZCEQNJGFRMDCGU-UHFFFAOYSA-N 360.379 5.386 0 1 FKAF O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1ccccc1F 1911571509 HTPYBRVHGSSABF-UHFFFAOYSA-N 364.464 5.938 0 1 FKAF Cc1c(-c2ccc(O)cc2)n(CCCOc2ccccc2)c2ccc(O)cc12 1911580168 NJXAJPZJNHLPQW-UHFFFAOYSA-N 373.452 5.497 0 1 FKAF COc1cc2c(cc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c1ccc2ccccc2c1)c1nc(-c2cccc3ccccc23)c[nH]1 61898347 FSDJBPFBFFXTPZ-HSZRJFAPSA-N 350.421 5.465 0 3 FKAF Cc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1 839182 VBWCDXJRQBKNIN-UHFFFAOYSA-N 360.434 5.519 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1N 13441094 UBEPTLIFCNGLBL-UHFFFAOYSA-N 354.538 5.803 0 1 FKAF Cc1ccccc1-c1ccc2c(C)cc(Oc3ccc(C(=N)N)cc3)nc2c1 13535180 OWDGVMVOOYZAGC-UHFFFAOYSA-N 367.452 5.595 0 1 FKAF CCN(CC)C(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21 13757568 ZLLBRSQVPPSYMP-UHFFFAOYSA-N 374.440 5.174 0 1 FKAF CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(F)cc23)C1(C)C 14975744 RSALASLNYRMGOC-UHFFFAOYSA-N 357.469 5.072 0 1 FKAF Cc1csc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)n1 15830269 IAOXVFKNNABUGQ-GOSISDBHSA-N 353.878 5.461 0 1 FKAF O=C(O)c1cccc(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)c1 27638938 WKWNKECIYQQQCE-UHFFFAOYSA-N 372.420 5.014 0 1 FKAF S=c1oc2c(Cl)cc(Cl)cc2c(=S)n1-c1cccc(Cl)c1 33494400 ZTLGADJFMAIIRE-UHFFFAOYSA-N 374.701 6.643 0 1 FKAF Cc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1 35942220 HUBLIJJKLJKNJL-UHFFFAOYSA-N 354.457 5.669 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@H]21 40719161 XAUNJOUEWQWLCP-IZZBFERCSA-N 370.577 7.323 0 1 FKAF O=C(O)c1ccc(NC(=O)c2cc3c4c(c2)CCCCC4CCCC3)cc1 59027310 PZLCDGJPNSTUST-UHFFFAOYSA-N 363.457 5.174 0 1 FKAF CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(Nc3ccccc3)cc12 64552853 YLFCUUAEVUYDPH-UHFFFAOYSA-N 360.383 5.603 0 1 FKAF CCOc1ccc(-c2cc(N[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)ncn2)cc1 82162299 YXOXMQOBPKMBKH-IWKCEXAMSA-N 351.494 5.025 0 1 FKAF O=C1c2cccc(Cl)c2/C(=C/c2ccccc2)c2cccc(Cl)c21 101898758 XZCJMHUAAXKRCW-FOWTUZBSSA-N 351.232 6.127 0 1 FKAF C[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)[C@]1(O)c1ccccc1 255976059 HEXUVKQFPIUPML-TYNUAKKSSA-N 371.524 5.574 0 1 FKAF OCCCCCCCCCCCc1nc2cc(Cl)cc(Cl)c2[nH]1 586894509 JHSMHBSMJVQEDR-UHFFFAOYSA-N 357.325 5.915 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC1(CCCC1)C3 586991382 UQGVIUBIYDWPKA-UHFFFAOYSA-N 355.437 5.201 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(F)F)CC4)-c1ccccc1C2=O 586995120 INZSFXGYFXAADT-ZDUSSCGKSA-N 363.407 5.515 0 1 FKAF Fc1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2c1 587152804 RCXNZPKAVYIGDW-VHSXEESVSA-N 367.168 5.014 0 1 FKAF Nc1ccc(C(=O)CCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587251579 JEPXMWPOYJJYNZ-UHFFFAOYSA-N 373.481 5.112 0 1 FKAF CCN1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1 587362068 BFEOKJFPECFLBO-UHFFFAOYSA-N 358.441 5.035 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1cc(F)ccc1F)(C(C)C)CC2=O 587466782 OCGDDYDNDVYKGN-OAQYLSRUSA-N 360.400 5.140 0 1 FKAF O=C1C[C@H](c2ccccc2OC2CCCC2)Oc2c1ccc1c2CCCC1 587526894 XPJYSHWMDRJUHC-HSZRJFAPSA-N 362.469 5.593 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603097 KXIBBLGOUODVPA-GOBMRGAHSA-N 366.457 5.185 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)c3ccccc32)N1 587819123 GTPVWIVLMBCNAZ-FKIZINRSSA-N 374.297 5.047 0 1 FKAF O=C(CC12CC3CC(CC(C3)C1)C2)n1nc2cc1Oc1ccc(F)cc1-2 587873608 JHWLVPPYKRQTGI-UHFFFAOYSA-N 352.409 5.042 0 1 FKAF CCC(C)(C)[C@@]1(c2cccc(C)c2)NCCc2cc3cccc(OC)c3nc21 963049276 BOWRJHKYELBQME-VWLOTQADSA-N 374.528 5.377 0 1 FKAF COC(=O)c1cc(-c2oc3ccc(Cl)cc3c2C)n(-c2ccccc2)n1 1857549041 YVXNVQFCRQMSAX-UHFFFAOYSA-N 366.804 5.034 0 1 FKAF Clc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 2382244966 WNHWHMBSPFMPPM-JUDQMZQNSA-N 359.900 6.790 0 1 FKAF Cc1cc(CCCc2ccccc2)c(CCCCCC(C)(C)C(=O)O)s1 13726664 XUGZZPICKDLWKX-UHFFFAOYSA-N 372.574 6.446 0 1 FKAF CCCCCc1cc2c(c3c1CCCO3)[C@H]1C=C(C)CC[C@H]1C(C)(C)O2 26983694 ZSWRBXLXOXOSOJ-VQTJNVASSA-N 354.534 6.355 0 1 FKAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1C3=CC[C@H](c4ccc(=O)oc4)[C@@]3(C)CC[C@@H]12 27633847 LPARRDGBTTTYTR-ASAGLTSBSA-N 368.517 5.047 0 1 FKAF O=C(O)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1 28528159 LGTYWJCIEQTIIP-UHFFFAOYSA-N 363.804 5.325 0 1 FKAF C/C=C(\C)C(=O)OCc1ccc(-c2ccc(-c3cccs3)s2)s1 38697648 VHSFAQBXEAXNTQ-KGVSQERTSA-N 360.525 6.215 0 1 FKAF CCC[C@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc(OC)c1 45189147 GYHSDASACVYVDM-SFHVURJKSA-N 367.533 5.824 0 1 FKAF CCCCCN(CCCCC)C(=O)Cc1coc(-c2ccc(C)cc2)n1 72120395 JURLXJWDXWENNH-UHFFFAOYSA-N 356.510 5.402 0 1 FKAF CCCCCn1c(C(C)C)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185199 UHUOIUNJBJQHGT-UHFFFAOYSA-N 371.916 5.405 0 1 FKAF CCCC[C@@H](COc1ccc(C(=O)OCC)cc1)Oc1ccc(C)cc1 90427233 FOWOENOZRFMQMY-NRFANRHFSA-N 356.462 5.188 0 1 FKAF COc1ccc(Cc2cc(O[C@@H]3CCCC[C@H]3C)c(C(C)C)c(=O)[nH]2)cc1 95592038 GHRLOSINCJHBPV-OXQOHEQNSA-N 369.505 5.055 0 1 FKAF COc1cc2c(cc1OC)[C@@H](c1sc3ccccc3c1Cl)N(C)CC2 144700674 JUNMXNNURNFKGJ-IBGZPJMESA-N 373.905 5.149 0 1 FKAF FC(F)(F)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 149511191 LMBBCCKSUWWIIU-UHFFFAOYSA-N 354.784 6.226 0 1 FKAF O=C(Cc1ccc(Cl)cc1)Nc1nc2ccc(C(F)(F)F)cc2s1 169309123 FFCHXVZAEOJLBQ-UHFFFAOYSA-N 370.783 5.150 0 1 FKAF Cc1cc(C[C@@H](C)[C@@H]2CC[C@@H](C)[C@@H](c3ccc(O)c(C)c3)C2)ccc1O 169356671 VLPXHDDRKFSEFV-AJYGTSELSA-N 352.518 6.113 0 1 FKAF O=C(CCC1CCCCC1)Nc1ncc(Cc2cccc(Cl)c2)s1 299856423 BVTNMHFDMGKWFC-UHFFFAOYSA-N 362.926 5.686 0 1 FKAF Oc1cccc(CCCCc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 586895967 FNNKSRPIUSDMGX-UHFFFAOYSA-N 366.408 5.446 0 1 FKAF Cc1cccc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)c1 586992503 XNGPEXNGVAKFED-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF Cc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587047683 ALLIWKVRQJJTTA-NXEZZACHSA-N 351.664 6.103 0 1 FKAF Cc1c(Br)ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 587083896 BKXWANGPRVSMKN-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF COc1ncc(C)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098489 VLZPRRHZWSBBOR-UHFFFAOYSA-N 366.420 5.134 0 1 FKAF Cc1c(F)cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1F 587132357 CGPSQFHXCTXCAZ-UHFFFAOYSA-N 357.585 5.232 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)(C)C)[nH]c3ccc(F)cc13)O2 587384599 NGSNFHREEWGRHK-SFHVURJKSA-N 366.436 5.202 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(O)cc1Cl)CC2=O 587462314 XYVRTDXWDVKSAE-KRWDZBQOSA-N 367.228 5.064 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c4c(cccc14)CC3)CC2=O 587480473 KSKBWXPXKYENES-QFIPXVFZSA-N 358.437 5.303 0 1 FKAF CC1=CC[C@H](C[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587821998 ZDKVXCUAPQUFNM-XNRPHZJLSA-N 366.318 5.546 0 1 FKAF C[C@@H]1CC(C)(C)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587822217 JGXJMXXJEFTKON-SEDUGSJDSA-N 354.307 5.164 0 1 FKAF CC1=CCC[C@H](C)[C@@H]1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587823344 PBKKLYQBNLFXSY-PCHOHSICSA-N 352.291 5.156 0 1 FKAF CCc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587844516 BLDLHPFCQNRSSN-QGHHPUGFSA-N 368.315 5.010 0 1 FKAF C[C@@]1(C2(c3ccccc3)CCCC2)NCCc2cccc(-c3ccccc3)c21 962673640 ZJMISCFWSYVKEV-AREMUKBSSA-N 367.536 6.227 0 1 FKAF CC=CCCCCCCCCCCc1oc(=O)cc2c1C(=O)O[C@H](C)C2 2356334418 GDPLHYVNEPCEPF-QGZVFWFLSA-N 360.494 5.371 0 1 FKAF C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCSC3CC3)[C@@H]1CCC2=O 13746627 KVBZDKAEXUSUQM-DHNNRRLOSA-N 370.558 5.273 0 1 FKAF Cc1ccc(Sc2cncc3sc(C(=O)c4ccccc4)cc23)cc1 13862324 SHYPADXIXXYMGH-UHFFFAOYSA-N 361.491 5.987 0 1 FKAF CC(C)(C)C(=O)Sc1cc(F)cc(F)c1NC(=O)C1(C)CCCCC1 26575666 LVSNKPFLQJGUHU-UHFFFAOYSA-N 369.477 5.539 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@@H]21 27753040 PJPBVOAEXHKPAB-UXHICEINSA-N 370.577 7.251 0 1 FKAF CCCC/C=C/CCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@H]21 27761967 YUARJAOYWUNVQS-GUKSKWGUSA-N 354.534 6.682 0 1 FKAF Clc1ccc([C@@H](CC2CCCCC2)Nc2nc3ccccc3o2)cc1 28004220 VZGBCEVPTGCABR-LJQANCHMSA-N 354.881 6.605 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1C 28757512 QIJFMTGYEVCBGD-UHFFFAOYSA-N 353.550 6.529 0 1 FKAF COc1cc(/C=C/c2cccc(/C=C/c3ccc(N)c(OC)c3)c2)ccc1N 28949012 OLDVPVVSUIYTNX-CDJQDVQCSA-N 372.468 5.209 0 1 FKAF CC(C)(C)c1cc(NC(=O)c2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1 29225458 YYYFDDRANOFZMK-UHFFFAOYSA-N 353.462 5.232 0 1 FKAF O=c1oc2ccc3c(c2c(O)c1Cc1cccc2ccccc12)CCCC3 45257930 RTNKJVPYENADGO-UHFFFAOYSA-N 356.421 5.121 0 1 FKAF Clc1ccc(-c2cc(-c3cccs3)nc(-c3ccccc3Cl)c2)o1 45373634 CIMYTMNXCRGZJJ-UHFFFAOYSA-N 372.276 7.044 0 1 FKAF CCCCC[C@@H](C)[C@@H](C)c1cc(OC)c2c(c1)OC(C)(C)c1ccncc1-2 59687925 FRKKSADPOQHIHY-IAGOWNOFSA-N 367.533 6.705 0 1 FKAF COc1ccc2c(c1)CC[C@H](Cc1ccccc1/C=C/c1ccccc1)C2=O 64417417 CGRPSFDTHSHQFF-HRBBJJPOSA-N 368.476 5.853 0 1 FKAF Cc1ccc(C)c(C(=O)CCCN2CCC(c3cc(C)ccc3C)CC2)c1 64549156 QPOPFNWPFQDIQV-UHFFFAOYSA-N 363.545 5.763 0 1 FKAF CN[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]2C1 70454177 NLOJUKSOUNWUSW-SVTKOXTGSA-N 360.630 5.183 0 1 FKAF biogenic,in-vitro Fc1ccccc1[C@H](Nc1nc2ccccc2s1)c1c[nH]c2ccccc12 95562234 ZYPYFTOLPZBPQT-NRFANRHFSA-N 373.456 6.118 0 1 FKAF Cc1ccc(-c2cc([C@@H]3[C@@H](c4ccc(C)cc4)C[C@H]4CC[C@H]3N4C)on2)cc1 100863687 IQNHMRJZPKQKFD-AFFJLAOCSA-N 372.512 5.692 0 1 FKAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(C)c2)C2=C(O)CCCC2=N1 104083875 ODCZBYYPXAITEX-OAQYLSRUSA-N 365.473 5.289 0 1 FKAF C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OCc1ccccc1 118926185 PFVCATKPVAAICJ-DAEGYCLPSA-N 366.589 7.005 0 1 FKAF biogenic CCCCC[C@H](C)SC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253637605 JPUVEYMMQIVSGF-HRQUJYDASA-N 368.583 5.683 0 1 FKAF Fc1ccc(O[C@@H](CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1F 299839426 RPBPOTIIGUEQSZ-KRWDZBQOSA-N 358.215 5.001 0 1 FKAF CCc1ccc(N=c2[nH]c(-c3cccc(Cl)c3)cs2)cc1SC 473084247 GBPLRFPYQILXPI-UHFFFAOYSA-N 360.935 5.913 0 1 FKAF CCc1ccc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc1CC 586878714 JEIMHBJRRZARCY-UHFFFAOYSA-N 350.409 5.967 0 1 FKAF COc1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1Cl 586895297 WJNHWCLZGOOJOE-UHFFFAOYSA-N 364.832 5.051 0 1 FKAF CC(C)c1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(O)c(C(C)C)c1 586895947 CXGLHKDRDRNGFF-UHFFFAOYSA-N 364.276 5.884 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1cc(O)c(F)cc1C4)-c1ccccc1C2=O 586996886 UZMVEGAEHIGLBP-UHFFFAOYSA-N 367.379 5.171 0 1 FKAF O=C(Cc1ccc(Cl)cc1)c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 587069268 DNCQZQMNXJMYHH-UHFFFAOYSA-N 373.161 5.314 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H]([C@H]1CCOC1)CCC4)-c1ccccc1C2=O 587102321 VQXLBCHOPODEFD-HOTGVXAUSA-N 369.464 5.211 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cc(F)cc(F)c4[nH]3)c(F)c2)c(F)c1 587150260 BSKGCSKRPOOLHG-UHFFFAOYSA-N 372.321 5.462 0 1 FKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1 587150442 PYHOUTXCRAAUAB-SFHVURJKSA-N 371.337 5.321 0 1 FKAF CC(C)(C)c1cccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 587163310 OKPYHLOWTUKDJM-UHFFFAOYSA-N 372.443 5.898 0 1 FKAF Fc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OC[C@@H]1CCCCO1 587210588 RPDTVBTVYUEINI-SFHVURJKSA-N 363.432 5.087 0 1 FKAF [C-]#[N+]c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587333084 HLQOEEVKPWQZOT-GMAHTHKFSA-N 373.383 5.356 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)c(F)cc1Cl)CC2=O 587468450 XLRKXWVWHJITPB-IBGZPJMESA-N 366.791 5.157 0 1 FKAF O=C1C[C@@H](c2cccc3[nH]cc(Cl)c23)Oc2c1ccc1c2CCCC1 587500460 PDKCBMFIKDUMAG-IBGZPJMESA-N 351.833 5.407 0 1 FKAF CCN(CC)CCc1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625319 FNBLRVNJDRNSQE-UHFFFAOYSA-N 366.349 5.398 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3OC)c(C(C)C)c2c1 587641184 LCBSTJRVMMKKHA-AWEZNQCLSA-N 355.909 7.134 0 1 FKAF CC(C)C[C@H](C)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587815148 ZAKZITGBXFEONX-JCGVRSQUSA-N 356.323 5.410 0 1 FKAF Cc1ccccc1[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816439 YFPPFDVSEOWNKD-RBZFPXEDSA-N 374.297 5.084 0 1 FKAF CC(C)[C@H]1CCC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587818664 SCYUAWIOJLNZKL-VBHSOAQHSA-N 354.307 5.164 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCCC1 587859522 XZPZNTIGDBXKIT-UHFFFAOYSA-N 353.249 5.086 0 1 FKAF Cc1nc(N[C@@H]2CCNc3ccccc32)cc(-c2ccc3ncsc3c2)n1 653681063 YYZBALYZYROQOP-QGZVFWFLSA-N 373.485 5.031 0 1 FKAF Fc1ccc([C@]2([C@H]3NCCc4cccc(-c5ccccc5)c43)CCOC2)cc1 962670480 RLRBPTWGCCTIMK-DQEYMECFSA-N 373.471 5.038 0 1 FKAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2c1ccc(F)c2ccoc12 962701378 GLIICYGLRSEJEK-RNODOKPDSA-N 371.452 5.164 0 1 FKAF Cc1ccccc1-c1cccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)c1 963105113 HMBXQLBJZMKRJV-JOCHJYFZSA-N 368.307 6.204 0 1 FKAF COc1cc(/C=C/c2ccccc2)c(C=O)c(OC(C)=O)c1CC=C(C)C 1857544710 IJVWWVKJFKIGPG-VAWYXSNFSA-N 364.441 5.112 0 1 FKAF Cc1cccc(-c2nn3c(c2-c2ccnc(Cl)c2)[C@H](C)C(C)(C)C3)n1 1857655070 PCMSASXVEFDJKB-ZDUSSCGKSA-N 352.869 5.112 0 1 FKAF Fc1ccc([C@H](c2c[nH]cc2-c2ccc(Cl)cc2)n2ccnc2)cc1 5974189 NITRGXPXGDACOH-HXUWFJFHSA-N 351.812 5.308 0 1 FKAF CCCN(CCC)c1c(C)nc(-c2cccc(Cl)c2)c2ccccc12 29037797 VPCSFUQDEMJMOB-UHFFFAOYSA-N 352.909 6.490 0 1 FKAF COc1cc(/C=C\Cc2cc(O)c3cc(C)sc3c2)cc(OC)c1OC 40565425 WXPWTAFUUBPGEE-ALCCZGGFSA-N 370.470 5.197 0 1 FKAF CCn1cc/c(=N\c2cccc(CCCc3ccccc3)c2)c(Cl)c1 43122379 UBZPEQWXARIKBF-ZNTNEXAZSA-N 350.893 5.569 0 1 FKAF Cc1cc(NC(=O)Nc2ccc3nc(C)oc3c2)c2cc(Cl)ccc2n1 45201156 SURNLSJAUNAZBX-UHFFFAOYSA-N 366.808 5.290 0 1 FKAF CC(C)(NC(=O)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1)c1ccccc1 45245429 XUDXDGGENLXMSC-WOJBJXKFSA-N 374.484 5.277 0 1 FKAF Cc1cc2c(cc1Cc1ccc(C(=O)O)c(F)c1)C(C)(C)CCC2(C)C 45321330 HLSZUZQZXROBMJ-UHFFFAOYSA-N 354.465 5.772 0 1 FKAF O=C1CCCc2nn(-c3ccc(O)cc3)c(-c3ccc(Cl)c(Cl)c3)c21 73219985 MTWDKNHVPYBAHF-UHFFFAOYSA-N 373.239 5.071 0 1 FKAF Clc1cc(Cl)c(Cl)c(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1 95586009 OIMUKKZXUMOQAB-SJKOYZFVSA-N 356.680 5.376 0 1 FKAF CC(C)(C)c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 96173938 JZVZIBRKFRYPGG-UHFFFAOYSA-N 367.456 5.351 0 1 FKAF ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H]([C@@H]4C=C[C@H]3C4)[C@@]1(Cl)C2(Cl)Cl 113161848 QBYJBZPUGVGKQQ-LSUQDKFDSA-N 364.914 5.270 0 1 FKAF CCC[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CO5)[C@@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 119116102 DWXSJAAPPYYVFJ-CDUXZFNXSA-N 360.582 5.575 0 1 FKAF biogenic CCC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1 299867162 XNGMUTOMPNQBLW-OCOZRVBESA-N 373.496 5.489 0 1 FKAF Oc1ccc(-c2cc(-c3ccsc3)nc3c2COc2ccccc2-3)cc1 473112259 BXWJMBLJMHWQLD-UHFFFAOYSA-N 357.434 5.742 0 1 FKAF O=c1cc(COc2ccccc2)occ1Oc1cccc(Cl)c1Cl 473115881 VCIHULHOYWYTAY-UHFFFAOYSA-N 363.196 5.318 0 1 FKAF Clc1cc(Br)cc2nc(CSCc3ccsc3)[nH]c12 587028221 WSGXNDXAOGOZMK-UHFFFAOYSA-N 373.728 5.474 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)cc2C1 587033714 KZSCRRMOQVIVFP-CQSZACIVSA-N 360.482 6.209 0 1 FKAF COc1cccc(-c2ccc(-c3nc4ccc(F)c(F)c4[nH]3)c(Cl)c2)c1 587052376 QUCZALLGAARFKW-UHFFFAOYSA-N 370.786 5.837 0 1 FKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)n1 587080812 YNYSUQOVHMVXJX-CYBMUJFWSA-N 366.852 5.843 0 1 FKAF CCC[C@H](C)[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351728 GYKBFRPVQIWEHS-OTPBECDQSA-N 356.437 5.475 0 1 FKAF CC1(C)C([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C 587353572 LHXQFIARIAWTFX-JPYJTQIMSA-N 368.448 5.331 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)CCC3)c1 587367432 QFYFCTDUDBSSPO-UHFFFAOYSA-N 357.409 5.105 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C(C)C)CCC3)c1 587367848 XYPBDTHKWGQEJM-GOSISDBHSA-N 371.480 6.733 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccccc3)o1)CC2=O 587479813 JIWZQRBJNZJWEC-QHCPKHFHSA-N 362.425 5.485 0 1 FKAF CCCOc1cccc(Cc2nc3cc(Br)cc(C)c3[nH]2)c1 587569650 RTDVUGRESAHOTI-UHFFFAOYSA-N 359.267 5.013 0 1 FKAF CC(C)(c1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600025 KGKVXDVTNKYMAL-GBXCKJPGSA-N 374.436 5.090 0 1 FKAF Cc1cc(Cl)cc2c(OC(=O)c3ccccc3F)c(C(C)(C)C)[nH]c12 587624440 JMSIVDBFTNYJIE-UHFFFAOYSA-N 359.828 5.786 0 1 FKAF Cc1c(-c2cccc(N)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627941 MOHIYEMKYOYZEM-UHFFFAOYSA-N 358.285 5.763 0 1 FKAF Fc1ccc(-c2[nH]c3cccc(F)c3c2CSc2ccccc2)cc1 587634770 QTRCUTGROMYLLS-UHFFFAOYSA-N 351.421 6.405 0 1 FKAF CC[C@@]1(CCCC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587815276 ZJBIYKHKJTVNCE-ACJLOTCBSA-N 356.323 5.554 0 1 FKAF CC1=CCC[C@H](C)[C@@H]1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587818467 DMHKDLVYBDVOHU-YEVSSTRJSA-N 352.291 5.156 0 1 FKAF COc1cccc([C@@H](C)Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587930986 LJBYCNVJBSXCEJ-NSHDSACASA-N 366.408 5.530 0 1 FKAF C[C@@H]1CC=CC[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587967374 OEIGKZDKFHXOFO-PSASIEDQSA-N 359.189 5.414 0 1 FKAF CC/C(=C\c1nc2cc(Br)cc(C)c2[nH]1)c1ccc(C)cc1 587969056 YIUALQCENOJBBK-GXDHUFHOSA-N 355.279 5.893 0 1 FKAF Fc1ccccc1-c1cccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c1 963108383 NWHMGOQIOPSHHJ-NRFANRHFSA-N 372.270 6.035 0 1 FKAF CC[C@@]1(c2ccc(OC(F)F)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963114522 UOGQSVOZXHWUIT-HRAATJIYSA-N 361.407 5.101 0 1 FKAF C[C@H](c1cccc(Cl)c1)[C@@H]1c2cccc(Br)c2CCN1C 963279680 ISBUFCYGYYZIAD-KZULUSFZSA-N 364.714 5.435 0 1 FKAF Cc1ccc2nc(-c3ccccc3)c(OCCCOc3ccccc3)n2c1 1772579269 IXUQEONXYMYBOG-UHFFFAOYSA-N 358.441 5.158 0 1 FKAF c1ccc(-c2cc([C@H]3COC4(CCCCC4)O3)n(C3CCCC3)n2)cc1 1857571783 FIMMKGFSAHCTFC-OAQYLSRUSA-N 352.478 5.414 0 1 FKAF CCCc1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1 1857592877 YROVUNJYFLHCJV-UHFFFAOYSA-N 370.496 5.293 0 1 FKAF Cc1ccc([C@@H]2c3c(Cl)nnnc3Oc3ccc4ccccc4c32)cc1 1857607987 SJQBYEZJCPUJJE-KRWDZBQOSA-N 359.816 5.273 0 1 FKAF CC(=O)c1cccc2c(C)c(C(=O)Nc3ccc4ccccc4n3)sc12 1857618778 NZTWZRXIEOVSMN-UHFFFAOYSA-N 360.438 5.213 0 1 FKAF O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)OCc1ccco1 1857758517 PZXGURTZSMESRQ-UHFFFAOYSA-N 361.319 5.714 0 1 FKAF CC1=C2C[C@]3(C(=O)O)CC[C@H](C(C)C)[C@@H]3C[C@@H]2[C@]23CC[C@H](C)[C@H]2CC[C@@]13C 2356704559 XXBPHKHKRDOYCF-YFTWEYOOSA-N 370.577 6.312 0 1 FKAF CCCc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1 2382220227 YMJQNZBLGQJUHP-UHFFFAOYSA-N 351.446 5.123 0 1 FKAF CC(C)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(-c2ccccc2)cc1 2483686 QRHFEFCXPZRQKG-UHFFFAOYSA-N 362.473 5.444 0 1 FKAF Cc1ccccc1Nc1nc(N(C)c2ccccc2C)c2ccccc2n1 13742291 XGUXGNRVBKGDNX-UHFFFAOYSA-N 354.457 5.758 0 1 FKAF c1ccc2c(CCCN3[C@H]4CC[C@@H]3c3c([nH]c5ccccc35)C4)c[nH]c2c1 13827366 HVXBCBFOONESMF-GAJHUEQPSA-N 355.485 5.344 0 1 FKAF CC(C)c1nnc2ccc(-c3ocnc3-c3ccc(Cl)cc3Cl)cn12 14961213 IFDJWAPVRLGJTG-UHFFFAOYSA-N 373.243 5.482 0 1 FKAF CCCCCCC(C)(C)c1ccc(-c2cccc(OC)c2OC)c(O)c1 28822120 UNAZCDOAHNJXRH-UHFFFAOYSA-N 356.506 6.324 0 1 FKAF CC#CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34577428 HHGLFNRDPUBPSI-NOCRRZKMSA-N 368.561 5.155 0 1 FKAF biogenic O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1ccncc1 35271759 QQGDSEZTEBZHJR-UHFFFAOYSA-N 357.438 5.124 0 1 FKAF CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C(\F)c1c(C)cc(OC)c(C)c1C 39372777 OKKRRMNKKAUTKF-UERPDMLHSA-N 372.480 5.943 0 1 FKAF CCCN1[C@H]2CC[C@@H]1CC(OC1c3ccccc3C=Cc3ccccc31)C2 45367367 HIJJSFHNNDTSNI-CBQGHPETSA-N 359.513 5.682 0 1 FKAF O=C(Nc1ccc(Cl)cc1)c1cc(F)ccc1SCc1ccncc1 64559380 DQMWQTRDESKZSU-UHFFFAOYSA-N 372.852 5.419 0 1 FKAF Cc1ccc(Sc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 84727928 JAXZNJOYNGWYRL-UHFFFAOYSA-N 369.704 5.916 0 1 FKAF COc1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)c(C)c3)cc1CC2 95578261 GAIKMFYFMIJOPI-UHFFFAOYSA-N 361.416 5.216 0 1 FKAF CC[C@@H]1CN(c2cccc(C(F)(F)F)c2)C(=O)[C@H]1c1cccc(F)c1 103190591 BOYAYDCAQXMQSM-SJKOYZFVSA-N 351.343 5.001 0 1 FKAF Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc(-c3ccc[nH]3)c2)c1 116238208 YVBJJWJXRFAJEF-UHFFFAOYSA-N 359.385 5.023 0 1 FKAF C[C@H]1CC[C@H](n2nncc2-c2cc(-c3ccccc3)sc2C(=O)O)CC1 253683778 RKUUHFVPWHELPT-CTYIDZIISA-N 367.474 5.123 0 1 FKAF CSc1ccc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2c1 586882601 ZNIIEUCQWPOJTI-UHFFFAOYSA-N 372.493 5.800 0 1 FKAF Clc1cc(Br)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586884261 PELASJDZMMMBNE-OXKORPGDSA-N 365.702 5.447 0 1 FKAF COc1ccc2nc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)sc2c1 587035835 UJNDFLRAQAUBLR-UHFFFAOYSA-N 350.230 5.155 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(C(=N)N)cc2[nH]1 587074647 YZYVZEFRIJVAIU-UHFFFAOYSA-N 360.848 5.143 0 1 FKAF CCCc1c(-c2cccnc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096062 DADRAYUYXUIBAQ-UHFFFAOYSA-N 364.448 5.769 0 1 FKAF FC(F)(F)Sc1ccc(/C=C\c2nc3ccc(Cl)cc3[nH]2)cc1 587125283 PEKZWUACSPKCPR-BAQGIRSFSA-N 354.784 5.999 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3ccnc(Br)c3[nH]2)c1 587152877 FMXLAXXYILFJAC-UHFFFAOYSA-N 368.209 5.194 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1Cl)CC2=O 587458866 AFRAMMWVVLWWIW-KRWDZBQOSA-N 351.229 5.358 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 587521936 DRXSGRVZAWRJHF-DEOSSOPVSA-N 354.449 5.939 0 1 FKAF Cc1cc(Cl)ccc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657297 UCBRIIKOHHZKQW-UHFFFAOYSA-N 364.807 5.154 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC2CCCC2)N1 587812865 LQWIUZRGPDGMRK-XIKOKIGWSA-N 354.307 5.308 0 1 FKAF Cc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587814103 FXFLUZGQLFFRRL-BUXKBTBVSA-N 362.286 5.003 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C=C2CCCCC2)N1 587816254 VWINIXYMUOYVMR-XIKOKIGWSA-N 352.291 5.228 0 1 FKAF O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873884 LDOXUFXXFHJKEK-KGLIPLIRSA-N 354.768 4.892 0 1 FKAF COc1cccc([C@H](C)Nc2cc(-c3cccc4cc[nH]c34)nc(C)n2)c1 653672863 ITMAKAANLLSDRM-AWEZNQCLSA-N 358.445 5.115 0 1 FKAF CCOC(=O)[C@H](CC(C)(C)C)[C@H]1NCCc2cc(-c3ccccc3)ccc21 962667690 PJSXYINKVDMZBV-YADHBBJMSA-N 365.517 5.156 0 1 FKAF COc1ccc(-c2cc3cc(C)ccc3c(-c3cccc(O)c3)n2)cc1OC 1857773254 XHXYCLRNZRGNAA-UHFFFAOYSA-N 371.436 5.600 0 1 FKAF Cc1c([C@H](c2ccccc2)c2cc3cc(Cl)ccc3o2)[nH]c2ccccc12 2382226825 PRMWATVZOWXOEH-HSZRJFAPSA-N 371.867 7.056 0 1 FKAF Fc1cccc(Cc2c(-c3ccco3)nc3ccc(Br)cn23)c1 72136630 NEHLOOXQKNFLIO-UHFFFAOYSA-N 371.209 5.087 0 3 FKAF Cc1ccccc1C(=O)N1CC[C@H]2C[C@H]1c1cc(-c3ccc(F)cc3)ccc12 102814910 DCGOZLNYERZUAM-CYFREDJKSA-N 371.455 5.876 0 3 FKAF Cc1cc2c(cc1C(=O)c1ccccc1C(=O)O)C(C)(C)CCC2(C)C 13742686 TVFDRZUBPCJTOL-UHFFFAOYSA-N 350.458 5.273 0 1 FKAF 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 27716052 BIGINLZPDKMEPQ-BDJUZNGVSA-N 362.554 5.117 0 1 FKAF CC[C@]1(c2ccccc2)c2c(F)ccc(F)c2NC(=O)N1CC(F)(F)F 36487559 ZADAQIMZGJWCPT-KRWDZBQOSA-N 370.321 5.028 0 1 FKAF Fc1ccc(-c2nc(SC(F)(F)C(F)F)[nH]c2-c2ccccc2)cc1 40631521 GLSNVQNVKAZRDV-UHFFFAOYSA-N 370.346 5.833 0 1 FKAF CCCCC/C=C\CC[C@H](O)CCCCCCCc1nc2c([nH]1)CCCC2 40938597 HKNCKNBATZLSET-LHFJYWTJSA-N 374.613 6.449 0 1 FKAF Cc1cc(=O)c(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)c(C)[nH]1 45193477 VLXLIQPLYCDQIZ-UHFFFAOYSA-N 360.240 5.758 0 1 FKAF Cc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccc2)cc1 45389765 XTBKEWVKERJCMK-VWLOTQADSA-N 352.481 5.624 0 1 FKAF c1ccc(C2=N[C@@H](c3cccs3)C(N3CCCC3)=Nc3ccccc32)cc1 53175236 YWXNSZGNQAQTDK-QFIPXVFZSA-N 371.509 5.466 0 1 FKAF COc1cc([C@H]2Nc3ccccc3-n3c2cc2c(C)cccc23)ccc1O 71416569 KZALGVCOWZRFCI-HSZRJFAPSA-N 356.425 5.168 0 1 FKAF COc1ccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1F 72109053 PXRYUCCEFJZXKL-QFIPXVFZSA-N 357.469 5.163 0 1 FKAF Fc1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@@H]3CC[C@@H](C2)S3)cc1 101389041 QYKXDVOUDRSNAP-UWJYYQICSA-N 363.457 6.059 0 1 FKAF CC(C)=C1OC(=O)N(c2cc(SC3CCCC3)c(Cl)cc2F)C1=O 103294477 TWKTZVFEXGRHSS-UHFFFAOYSA-N 369.845 5.291 0 1 FKAF Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 103676274 DDNLWSPBFXTFBP-IBGZPJMESA-N 371.440 5.100 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2[C@@H](C)CS1 144995582 YHLYCRRAQSELEI-JYJNAYRXSA-N 374.590 6.977 0 1 FKAF CC(C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255287582 ZQDSXDIYKPVJHY-PDCPANKYSA-N 374.653 7.079 0 1 FKAF COc1cc(/C=C/c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCC(C)C 587046910 PDKAOPAGJRYFMF-SOFGYWHQSA-N 370.880 5.739 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC=C(c1ccccc1)C4)-c1ccccc1C2=O 587100386 IPEMLOMCZDIERK-UHFFFAOYSA-N 373.455 5.937 0 1 FKAF O=C1c2ccccc2-c2cc(-c3nccc4ccccc34)nc3cccc1c23 587107852 VSAZLHCRXXPZOR-UHFFFAOYSA-N 358.400 5.661 0 1 FKAF CCCOc1cc2nc(C3(F)CCCCC3)[nH]c2cc1Br 587131314 DQDCMZXHXNUHFV-UHFFFAOYSA-N 355.251 5.243 0 1 FKAF Cc1cnc(Cl)c2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc12 587150439 PYEDWKAKEPRFRJ-KRWDZBQOSA-N 366.827 5.260 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3ccc(Br)cc3[nH]2)c1 587153643 WUQLJWBFDSYVGB-UHFFFAOYSA-N 367.221 5.799 0 1 FKAF CCc1c(-c2ccc(O)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587207003 ONOHEXNTBPLMMB-UHFFFAOYSA-N 351.405 5.381 0 1 FKAF CCc1c(-c2ccc(Br)cc2F)nc2cccc3c2c1CC3 587210082 DGOSCUDFLGMXFI-UHFFFAOYSA-N 356.238 5.464 0 1 FKAF C[C@@H]1C[C@@H](C)CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348104 CHJGYDDNIQYSGD-JZKQVHKSSA-N 354.421 5.085 0 1 FKAF CC(C)(C)C[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359215 ZWGXAJNIEVAHRN-OFNKIYASSA-N 368.448 5.475 0 1 FKAF CC/C(C)=C(\N)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587362046 DXBWIXRJUGYWHU-QNGOZBTKSA-N 372.468 5.842 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccs4)cc1F)[C@@H](C2)C3=O 587426827 QHVAVRASJILARR-BTYIYWSLSA-N 366.413 5.052 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccsc1)CC2=O 587493693 GCTDVRGXOUIRGS-NRFANRHFSA-N 364.466 5.780 0 1 FKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587526043 QATIMXFZRRXXEY-SANMLTNESA-N 374.524 6.015 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 587564941 QPQVRDZGPGEABI-UHFFFAOYSA-N 364.276 5.531 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cnn(CC)c3C)c(C(=O)C(F)F)c2c1 587643139 RVXRJCSLRJIMQI-LLVKDONJSA-N 359.420 5.321 0 1 FKAF CC[C@@]1(c2cccc(C(F)(F)F)c2)NCCc2c(Cl)cc(Cl)cc21 963115359 VZWHFFVCZINLRO-KRWDZBQOSA-N 374.233 5.812 0 1 FKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H](Nc3cccc(O)c3)CCC[C@@]21C 1857559623 NMSKZEJRQYQJER-GOBSUPISSA-N 373.581 5.966 0 1 FKAF CCN(CC)c1ccc(NC(=O)c2csc(C)c2-c2ccccc2)cc1 1857597905 RGVBMJYUQNWWPK-UHFFFAOYSA-N 364.514 5.822 0 1 FKAF COc1cc(-c2ccc[nH]2)[nH]c1/C=C1/C=C(CCCCC(C)C)C(C)=N1 1911572188 PVBMSUHGKBVKOK-AQTBWJFISA-N 351.494 5.977 0 1 FKAF CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356315417 YNJRCCQKMDWYDP-KIHUSNISSA-N 360.582 6.233 0 1 FKAF CC(=CCO)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 2356388525 IRJHFRKRPYTYCQ-KMDXXIMOSA-N 366.674 8.171 0 1 FKAF COc1cc(CC=C(C)CC[C@@]2(C)C(C)=CCC[C@@H]2C)c(O)c(OC)c1 2356391634 WFPNAXCDJWECFJ-MBSDFSHPSA-N 358.522 6.061 0 1 FKAF CC[C@H](C)CCCCCCCC=C[C@@H](C)[C@H](O)CCCCCC(=O)O 2356402375 FVAQKIAHIHAUHV-PWRODBHTSA-N 354.575 6.352 0 1 FKAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCCC 4214410 DNEGBMLOBWBZNQ-LEWJYISDSA-N 374.525 5.016 0 1 FKAF Fc1ccc([C@@H](c2c[nH]cc2-c2ccc(Cl)cc2)n2ccnc2)cc1 5974194 NITRGXPXGDACOH-FQEVSTJZSA-N 351.812 5.308 0 1 FKAF CCOC(=O)c1ccc(/C=C(\C)[C@H]2C[C@@H]2C2=C(C)CCCC2(C)C)cc1 29310158 PQMJLOIHQJNZML-IRASXKRZSA-N 352.518 6.429 0 1 FKAF C[C@@H](/C=C/C(=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 33820877 RDDXJZKKQGXAHS-PMOKAGDPSA-N 374.565 5.283 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)(C)C1 33825626 RTKUCVAYNSXMMS-DLBZAZTESA-N 370.577 7.457 0 1 FKAF CC(C)Oc1ccccc1OCCNCc1cccc(C2CCCC2)c1 35259213 ACEXCRCRDMOWEM-UHFFFAOYSA-N 353.506 5.300 0 1 FKAF O=c1cc(-c2ccccc2)c2c(O)cc(-c3cc4ccccc4s3)cc2o1 43018687 QFMMDUFBZYLEMN-UHFFFAOYSA-N 370.429 6.047 0 1 FKAF N#CN1[C@@H](c2ccccc2)CC(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 72171865 VYOXUVLGIYXMKA-JRFVFWCSSA-N 352.437 5.009 0 1 FKAF c1ccc(-c2nc(N3CCCCC3)ncc2-c2nc3ccccc3s2)cc1 82162904 AAFAQIXOKNCAEY-UHFFFAOYSA-N 372.497 5.411 0 1 FKAF Cc1cccc(-c2nc(NC3CCCC3)ncc2-c2nc(C)c(C)s2)c1 82167408 MYMRKYZGVQSWJH-UHFFFAOYSA-N 364.518 5.547 0 1 FKAF CC(=O)OC(C)(C)[C@@H]1CC/C(C)=C\CC/C(C)=C\CCC2=C[C@@H]1OC2=O 195099163 JRHSHBMAWLBQTD-YYHKGXNBSA-N 360.494 5.043 0 1 FKAF CCc1oc2ccccc2c1-c1nc2cc(Br)c(C)c(C)c2[nH]1 586904095 QUBXXANYBIUPOJ-UHFFFAOYSA-N 369.262 5.918 0 1 FKAF Cc1ccc(Cc2c(C)nc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1 586990404 DQTSIPDRVNDPMA-UHFFFAOYSA-N 365.432 5.359 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cccc(Cl)c2[nH]1 587044856 UTDGMWVIXHRFMC-UHFFFAOYSA-N 357.624 5.207 0 1 FKAF COc1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587069675 GCVFWRVMEIOTDB-UHFFFAOYSA-N 364.832 5.471 0 1 FKAF O=C(/C=C\c1nc2ccc(Sc3ccccc3)cc2[nH]1)Nc1ccccc1 587245506 YNFRKEKSDWLFCF-YPKPFQOOSA-N 371.465 5.366 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccc(-c3ccccc3)cc1)O2 587402198 VTBMWUISUUWQJS-DEOSSOPVSA-N 373.452 5.047 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccccc3cc1OC)CC2=O 587482063 REPYKMRUEJKHSG-QFIPXVFZSA-N 362.425 5.213 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@](C)(c3ccccc3)C1)CC2=O 587484580 STGUBMOCIXFLQH-GOTSBHOMSA-N 350.458 5.191 0 1 FKAF CCCCC[C@]1(c2ccc(N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510322 KHAMPQZINZQEDX-XMMPIXPASA-N 363.501 5.589 0 1 FKAF C[C@@]1(c2cc3sccc3s2)CC(=O)c2ccc3c(c2O1)CCCC3 587538050 MMJAXOXIDMAXRZ-FQEVSTJZSA-N 354.496 5.722 0 1 FKAF CCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601722 GTKYJCUOECPLEH-NFBKMPQASA-N 360.409 5.049 0 1 FKAF Cc1cc(Cl)cc2c(-c3cccc(F)c3)c(-c3ccc(F)cc3)[nH]c12 587624809 SQLSOIZENPIAKH-UHFFFAOYSA-N 353.799 6.742 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 587628147 IEZCOLOSJMACMD-UHFFFAOYSA-N 352.192 5.458 0 1 FKAF CC(C)(C)OC(=O)NCCc1c(-c2ccccc2)[nH]c2cc(F)ccc12 587635269 JBPGHNYAZZBUFM-UHFFFAOYSA-N 354.425 5.041 0 1 FKAF Cc1ccc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587815851 QOBYWONTUKROGN-BFUOFWGJSA-N 362.286 5.003 0 1 FKAF Cc1ccccc1[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816440 YFPPFDVSEOWNKD-RNODOKPDSA-N 374.297 5.084 0 1 FKAF Cc1ccc(C)c(C[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587820728 QJAWODCLMBKUFX-SUMWQHHRSA-N 362.286 5.023 0 1 FKAF CCC[C@]1(c2ccsc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587855324 UPSIMBHRPIWMQO-APPDUMDISA-N 368.315 5.228 0 1 FKAF CSc1ccccc1[C@]1(c2ccsc2)NCCc2ccc(F)c(C)c21 962093000 OHHXKYMSEPNBEH-NRFANRHFSA-N 369.530 5.355 0 1 FKAF CC(=O)[C@@H]1CC[C@@]2(C)[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 2356405347 QNGSNHFSHGHNJR-DBWGLHGNSA-N 372.593 6.220 0 1 FKAF CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CC1CCC(C(C)(C)C)CC1 36386665 PRYQSCKWFZFLNT-AOMIVXANSA-N 369.597 6.037 0 3 FKAF C/C=C\c1cc(C)ccc1/C(C)=C\C(C)=C\CCC[C@H](O)CNC(C)=O 13367212 OZKSAMXSQQCGQT-JMUUTACGSA-N 355.522 5.045 0 1 FKAF Cc1cc(C)c([C@H](CCCCCC(=O)O)c2ccc(F)cc2)c(O)c1C 13456324 ZSYKLVFCMFCQHN-LJQANCHMSA-N 358.453 5.624 0 1 FKAF CCCC[C@@H]1Cc2cc(OC)ccc2-c2cc3cc(OC)c(OC)cc3n21 13606351 WSGZGMGFBUIGOU-QGZVFWFLSA-N 365.473 5.622 0 1 FKAF CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(CO)cc1-2 13814018 CFQBPYBPMFYBLY-UHFFFAOYSA-N 366.545 6.721 0 1 FKAF CCOC(=O)N(O)CCOC/C=C(\C)CC/C=C(\C)CCC=C(C)C 26815738 TZHITBVPFLRMKB-NWLVNBMCSA-N 353.503 5.270 0 1 FKAF CC[C@H](/C=C/c1ccc(OC)cc1OC)c1ccc(Cl)cc1Cl 28566634 QPAICRCESWTDRO-URWSZGRFSA-N 351.273 6.218 0 1 FKAF CN1C(=O)OC(C)(C)c2cc(Nc3ccc(Cl)c(Cl)c3)ccc21 28878636 SGSIACSKFVPXQO-UHFFFAOYSA-N 351.233 5.559 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N(C)CCO 38146555 DZOXWGMUPHVUCW-FFTKBTNWSA-N 361.570 5.583 0 1 FKAF O=C(Nc1ccc2cccnc2c1)c1ccc(-c2ccc(Cl)cc2)nc1 40404975 ZLRRFSWSVPNMIJ-UHFFFAOYSA-N 359.816 5.203 0 1 FKAF Clc1ccc(-c2cc3c(NCc4ccncc4)nccc3s2)cc1 45334317 IODIUPZYGBQVMD-UHFFFAOYSA-N 351.862 5.624 0 1 FKAF CCCCCC1=NN(C(=O)c2cccc3ccccc23)C[C@@H]1c1ccccc1 62225247 PTPBPHTVPYIIMD-HSZRJFAPSA-N 370.496 6.016 0 1 FKAF O=C(O)/C=C/c1ccccc1C/C=C\c1ccccc1OCc1ccccc1 64230338 GENMNBDMEPMPNX-ZGUMFPAMSA-N 370.448 5.619 0 1 FKAF O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)C1CCCCC1 66112972 QBIHSSLMLQHEII-UHFFFAOYSA-N 358.445 5.230 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(Br)cc2)n1 72103521 GFCVGBSACOXTFG-CYBMUJFWSA-N 351.288 5.163 0 1 FKAF C[C@@]1(c2ccccc2)CCN(c2cccc(-c3ccc(F)cc3)c2)C(=O)O1 72118693 GRECFJMRKUEXPU-QHCPKHFHSA-N 361.416 5.755 0 1 FKAF Cc1nnc(Cl)c(-c2c(F)cccc2F)c1-c1ccc(Cl)nc1 84619010 DUSSDRZXEPMRGC-UHFFFAOYSA-N 352.171 5.099 0 1 FKAF CCCCN(CCCC)C(c1ccccc1)(c1ccccc1)c1ccccc1 84732142 NKWVYURVBZCHKN-UHFFFAOYSA-N 371.568 6.881 0 1 FKAF COc1ccc(Nc2ccc3c(C(=O)O)cc(-c4ccccc4)nc3c2)cc1 103293764 GRQSIRBBCIFQDW-UHFFFAOYSA-N 370.408 5.352 0 1 FKAF C[C@@]12C=C(/C=C/CCc3ccco3)[C@](C)(C1)[C@@H](CCc1ccco1)CC2=O 169294144 HSYVZZKTEPXIFY-KPQKEKBPSA-N 364.485 5.926 0 1 FKAF CC1(C)C=Cc2c(ccc3c(=O)c(-c4ccc(C(F)(F)F)cc4)coc23)O1 299840042 VCHNQZLCZYQBPU-UHFFFAOYSA-N 372.342 5.663 0 1 FKAF CCCC1(c2nc3cc(Br)c(Br)cc3[nH]2)CCC1 586877792 PNTKRPJSSOQMPU-UHFFFAOYSA-N 372.104 5.310 0 1 FKAF FC(F)(F)c1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Cl 586885702 NJZHWGQIFHHQME-UGSOOPFHSA-N 362.782 5.607 0 1 FKAF CC[C@@H]1OCCC[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586910696 JJNKVJVJXULDBE-SKDRFNHKSA-N 366.305 5.273 0 1 FKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)c1 587051199 YNNPTDJSANXKMO-UHFFFAOYSA-N 372.815 5.239 0 1 FKAF Cc1ccc2c3c(cc(-c4cn5ccccc5n4)nc13)-c1ccccc1C2=O 587096603 IIFNHZZKVZUVRE-UHFFFAOYSA-N 361.404 5.069 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cc(Cl)cnc4[nH]3)c(F)c2)c(F)c1 587149373 RKPQQVYBCYXJDG-UHFFFAOYSA-N 371.774 5.232 0 1 FKAF Fc1cncc(Cl)c1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587176098 MTYGMSKKSVBWHX-UHFFFAOYSA-N 364.129 5.013 0 1 FKAF CC1=C(C)O[C@](C)(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 587206337 IMEYJZJNYFOJLC-DEOSSOPVSA-N 355.437 5.766 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c1sc1ccccc13)O2 587414579 NCIHPZBIUZRLQN-IBGZPJMESA-N 359.450 5.652 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC=C(c3ccc(F)cc3)CC1)CC2=O 587471200 JMKYHSOUUUFCPM-QHCPKHFHSA-N 366.432 5.455 0 1 FKAF C[C@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502707 MQRJAFDVSPJLAL-HXUWFJFHSA-N 371.274 5.209 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(Br)c3)c(C(C)C)c2c1 587639295 QPUCCDYGVQITAL-CQSZACIVSA-N 370.334 7.234 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(C(=O)OC)cc3[nH]2)c1 587779837 GIXLSSXIFDLKEL-UHFFFAOYSA-N 372.424 5.082 0 1 FKAF Cc1ccccc1/C=C\[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587819721 MSXDAAOGIYABCW-PECUUCPUSA-N 360.270 5.185 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccccc3c2)N1 587824776 YLAARMYGBZYLOK-YUNKPMOVSA-N 370.265 5.365 0 1 FKAF COc1cccc([C@H](C)Nc2cc(-c3cc4ccccc4o3)nc(C)n2)c1 653762216 GXMGJBIMCYFSPH-AWEZNQCLSA-N 359.429 5.380 0 1 FKAF O=C(Nc1cc(C(F)(F)F)ccc1NC1CCCCC1)c1ccccc1 1772652626 CKASREWODNCZRQ-UHFFFAOYSA-N 362.395 5.702 0 1 FKAF C[C@H](CO)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CCC(=O)C4(C)C)[C@@]3(C)CC[C@]12C 2356541261 HYDPQJPDIJUOEO-VUYAXWPPSA-N 372.593 5.789 0 1 FKAF CCN(CC)c1ccc(Nc2nc(C)nc3sc4c(c23)CCC4)c(C)c1 2452473 JGPBARVWADDLKA-UHFFFAOYSA-N 366.534 5.387 0 1 FKAF Clc1cccc2c1OC[C@@H]1C(c3ccccc3)=NN(c3ccccc3)[C@@H]21 5823912 IVBZICOWGJXCMT-NQIIRXRSSA-N 360.844 5.314 0 1 FKAF CCCCC(C)(C)OC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C 13738029 XRSVFRHFGKREBF-UHFFFAOYSA-N 363.498 6.127 0 1 FKAF Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)s1)C(C)(C)CCC2(C)C 13743083 OHXNOKHFSUNDSU-UHFFFAOYSA-N 356.487 5.335 0 1 FKAF FC(F)(F)c1ccc([C@@H](OCCCc2c[nH]cn2)c2ccccc2)cc1 26149913 VZWGQWGTUFCGEJ-IBGZPJMESA-N 360.379 5.167 0 1 FKAF CCOC(=O)[C@H](CC)c1nc(-c2ccc(Cl)cc2)oc1-c1ccco1 28223537 VJFFJWITUZDZBQ-CQSZACIVSA-N 359.809 5.312 0 1 FKAF Cc1cccc(/C=C/Cc2ccccc2CC(=O)O)c1OCc1ccccc1 38445529 CPYSZPKDBKBTLO-LZYBPNLTSA-N 372.464 5.457 0 1 FKAF CCCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccoc1 43019204 HJRHYOJEKAQCJY-UHFFFAOYSA-N 371.912 5.586 0 1 FKAF N#CN1[C@H](c2ccccc2)CC(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 72171864 VYOXUVLGIYXMKA-QTJGBDASSA-N 352.437 5.009 0 1 FKAF FCCCC[C@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 73195653 JJMQPXXODDTMDK-JOCHJYFZSA-N 353.481 5.389 0 1 FKAF Clc1nn2c(-c3ccc(Oc4ccccc4)cc3)nnc2c2ccccc12 82060475 FUXOIPVGWGPIOS-UHFFFAOYSA-N 372.815 5.390 0 1 FKAF CCN[C@H]1CCC[C@@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)C1 84705374 RDNPSSHSVPTCKN-CABCVRRESA-N 366.534 5.303 0 1 FKAF Cc1ccc(NC(=O)c2ccc3[nH]c(-c4c(C)cccc4C)nc3c2)cc1C 84729243 JIODJQVJUKVVKX-UHFFFAOYSA-N 369.468 5.716 0 1 FKAF COc1ccc2c(c1)[nH]c1c3c(c(C)cc12)O[C@](C)(CCC=C(C)C)C=C3 95580914 JYCMSEXIUYQQTJ-XMMPIXPASA-N 361.485 6.549 0 1 FKAF biogenic C/C1=C\CC(C)(C)C[C@@H](OC(=O)/C=C\c2ccc(O)cc2)C/C(C)=C/CC1 205284174 SPBVSJHMHZCQRT-JSTDCQQPSA-N 368.517 6.200 0 1 FKAF CCc1ccccc1Oc1ccc(NCc2c(F)cc(F)cc2F)nc1 207724105 PTWGRLVFLLMZSU-UHFFFAOYSA-N 358.363 5.466 0 1 FKAF Cc1nc(NC[C@@H](C)c2ccccc2)cc(-c2ccc3ncsc3c2)n1 214669879 FNBRRMWFNRPWBY-CQSZACIVSA-N 360.486 5.277 0 1 FKAF CCN(c1ccc(OC[C@@H](C)CF)c(C(C)C)c1)c1ccc(C(=O)O)cn1 299851592 GZUNYNSCGWSKRA-HNNXBMFYSA-N 374.456 5.046 0 1 FKAF CC[C@H](C)CC/C=C(\C)C[C@@H](C)CC/C=C/[C@@H](O)[C@]1(C)CCC(=O)O1 299855789 GFAZUKLBXCKANW-IJRIRUCSSA-N 350.543 5.578 0 1 FKAF CCc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1CC 586879177 LGULHBHHGQYGOB-UHFFFAOYSA-N 365.221 5.395 0 1 FKAF Cc1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 587082564 RMMODWNHDPGOPX-UHFFFAOYSA-N 369.855 6.407 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@H]4c1ccccc1)-c1ccccc1C2=O 587102138 YRDPZMJHXKBWPC-KRWDZBQOSA-N 361.444 5.833 0 1 FKAF Cc1cccc2c3c([nH]c12)-c1nc2cccc4c2c(c1C3)-c1ccccc1C4=O 587105704 FIZBTTAFELDTIR-UHFFFAOYSA-N 372.427 5.807 0 1 FKAF FC(F)(F)Sc1ccc(/C=C\c2nc3ccc(Cl)nc3[nH]2)cc1 587123609 FBJGNKRAEVRMGJ-BAQGIRSFSA-N 355.772 5.394 0 1 FKAF CCc1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587151142 QEDKYGRBFKKVQO-OAQYLSRUSA-N 364.395 5.572 0 1 FKAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)oc2ccccc12 587207706 VNUFWSKLALKPJG-UHFFFAOYSA-N 361.400 6.168 0 1 FKAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)C1CCCC1 587226412 QAJIPZLZHYPLMC-SFHVURJKSA-N 371.525 5.616 0 1 FKAF CC(C)C[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355514 VGLVTDQUNVZKJN-GNOCETLISA-N 368.448 5.475 0 1 FKAF CC[C@@]1(c2ccc(C)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359842 ZZFJXFCXGNOJFK-UNMCSNQZSA-N 366.388 5.097 0 1 FKAF Cc1ccc(C[C@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404011 SXUNMEAAGVTFRR-RUZDIDTESA-N 371.480 5.297 0 1 FKAF CCCCCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441687 LVUZTBAEVAESFY-AUSIDOKSSA-N 366.457 5.143 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)c(F)c1)CC2=O 587459673 FITWUFAUTUEXEQ-KRWDZBQOSA-N 368.326 5.209 0 1 FKAF COc1ccc2c(c1Cl)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587498435 IIXPFTSXPCAODR-QFIPXVFZSA-N 368.860 5.034 0 1 FKAF Cc1ccc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587500170 RISXQFIPRIHUAB-IBGZPJMESA-N 371.274 5.343 0 1 FKAF O=C1C[C@@H](CCc2cccc3ccncc23)Oc2c1ccc1c2CCCC1 587516658 ZCUYHMHMNAHOPX-LJQANCHMSA-N 357.453 5.080 0 1 FKAF CCc1ccc2oc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587532248 KBFGASSCZRJOHV-DEOSSOPVSA-N 360.453 5.755 0 1 FKAF C[C@@]1(C2CCCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602013 HTZYVBNHFDXQQB-UGKGYDQZSA-N 352.430 5.083 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccc(Cl)cc2)N1 587695865 JQFLRPKDFOXXFK-QGHHPUGFSA-N 368.677 5.060 0 1 FKAF COc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1F 587783569 COZOLXBWYKPFEV-XFXZXTDPSA-N 374.415 5.460 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)c3ccccc32)N1 587824593 XQQSPYPOSCZRLC-FKIZINRSSA-N 374.297 5.047 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(F)(F)C[C@]34C)[C@@H]1CC=C2c1cccnc1 1772585079 VYARRZDEVIWNIB-WTGKAQRQSA-N 357.488 6.363 0 1 FKAF CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2c3cc4c(cc3CCN21)OCO4 1772622159 NIKSJNPDOOOIEM-SFTDATJTSA-N 374.484 5.139 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1cc(C(C)C)ccc1C 1857610553 CTUVGVOSDQIOKV-PMPJFHHKSA-N 354.578 7.916 0 1 FKAF Cc1cc(-c2nccc3c(Nc4ccc(F)c(Cl)c4)c(N)oc23)ccn1 1857649204 JEYPXSLUBGYPNN-UHFFFAOYSA-N 368.799 5.317 0 1 FKAF Nc1oc2c(Cc3ccccc3)nccc2c1Nc1ccc(F)c(Cl)c1 1857764602 WFQIMNPUUBSPHB-UHFFFAOYSA-N 367.811 5.537 0 1 FKAF CC1(C)CCC[C@@]2(C)Oc3cc(C=Cc4ccc(O)cc4)cc(O)c3C[C@@H]12 2356672550 NVDNWXIJCXLGEI-LADGPHEKSA-N 364.485 5.788 0 1 FKAF CCCCCC[C@@H](CC)CN(C(=O)Oc1ccccc1)c1ccccc1 203472975 ARHDDTJEDFCRMB-HXUWFJFHSA-N 353.506 6.689 0 3 FKAF CN(c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1)C1CCCCC1 3963116 XHJGXIMWIHPSEF-UHFFFAOYSA-N 359.473 5.256 0 1 FKAF C[C@H](Cc1ccc(OCc2ccccc2)cc1)NCCCc1ccccc1 13822214 AJBIBDUBTQRTIR-OAQYLSRUSA-N 359.513 5.419 0 1 FKAF C[C@H]1CC=C([C@@H](Oc2ccc(Br)cc2)c2ccccc2)CC1 26848665 JPPODZMGZNOWLX-YWZLYKJASA-N 357.291 6.316 0 1 FKAF c1ccc(C2=N[C@@H](c3cccs3)C(NC3CC3)=Nc3ccccc32)cc1 35876578 OJOYNAWULBNFKO-NRFANRHFSA-N 357.482 5.122 0 1 FKAF CNCCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 40861516 JYDSPORIDWNWOG-SFHVURJKSA-N 358.312 6.278 0 1 FKAF CC1(C)C[C@@H](NC(=S)Nc2ccccc2Cl)c2cc(F)ccc2O1 40893950 MVSPVXRQYUJBGF-OAHLLOKOSA-N 364.873 5.068 0 1 FKAF Cc1ccc(C[C@@H](Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 84811012 NUNGTNMUNRDUFU-VWLOTQADSA-N 352.481 5.885 0 1 FKAF O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1cc(F)c(F)c(F)c1 95589290 OOZLGMJCUOMXGC-UHFFFAOYSA-N 366.286 5.360 0 1 FKAF CC(=O)OC/C=C(\C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)O)[C@H]2CC[C@H]1C 238743457 MHVXKXKLJNXBPK-DCKVZSIWSA-N 362.510 5.140 0 1 FKAF CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccccc1Cl 473104896 PPNHISOQZXMKKA-UHFFFAOYSA-N 369.852 5.298 0 1 FKAF FC(F)(F)c1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Cl 586885473 VBSHEMWWXMUCDS-YBIKONCISA-N 354.803 5.703 0 1 FKAF Cc1c(-c2ccc(F)cc2F)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586995955 OBFNWDXSJQHMJN-UHFFFAOYSA-N 371.386 6.008 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(Cl)cc(F)c4[nH]3)c(C)s2)cc1 587013534 PLRHLIODOBPGCN-UHFFFAOYSA-N 357.841 5.763 0 1 FKAF Cc1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2n1 587055711 JYDPECKOQDWIGP-UHFFFAOYSA-N 374.227 5.412 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(Br)cc2[nH]1 587061121 AVJLLZGUKPWBIV-AWEZNQCLSA-N 365.658 5.509 0 1 FKAF Fc1ccc(/C=C(/c2nc3cccc(Cl)c3[nH]2)c2cccs2)cc1 587163430 IQDUTTJQNPYIAI-SDNWHVSQSA-N 354.837 6.006 0 1 FKAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc1 587243946 KNTMURCFIXPNRH-UHFFFAOYSA-N 365.795 5.275 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc(Cl)c1Cl)O2 587374114 GNJZAFPPXPHDGA-CQSZACIVSA-N 356.636 5.244 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(F)c(F)cc1F)CC2=O 587468043 WMQISCVAIMZXCA-HXUWFJFHSA-N 364.363 5.033 0 1 FKAF C[C@@]1(c2c[nH]c3ccc(Cl)cc23)CC(=O)c2ccc3c(c2O1)CCCC3 587496253 AMBZGWZASIONDE-QFIPXVFZSA-N 365.860 5.581 0 1 FKAF Cc1cccc(Br)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501175 WIQWUSAMLKQRMM-SFHVURJKSA-N 371.274 5.343 0 1 FKAF CCN1c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2C[C@H]1C 587517253 JZZBHKUQPAASPO-IQMFZBJNSA-N 361.485 5.043 0 1 FKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@@]31CC(=O)c2ccc3c(c2O1)CCCC3 587521091 AKXVNAOTSPRKFI-RUZDIDTESA-N 371.480 5.470 0 1 FKAF C[C@H](CC[C@@H](C)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)CC(C)(C)C 587527954 XYIRPJFYMNNTFW-DRSNIGMVSA-N 356.550 6.388 0 1 FKAF O=C1C[C@H](c2cnc(C3CCCC3)s2)Oc2c1ccc1c2CCCC1 587534188 BNMRIBSODMVFIE-GOSISDBHSA-N 353.487 5.386 0 1 FKAF Cc1c(-c2ccc(Br)cc2Cl)[nH]c2c(C(=O)O)cccc12 587636838 LAVZTNYEMJUJFO-UHFFFAOYSA-N 364.626 5.257 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)N(C)Cc3ccccc3Cl)c2c1 587640643 HMQUSIPXCAKLMK-CQSZACIVSA-N 368.908 5.915 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2c(C)c(C)ccc2s1 587873259 WTIXNLIMXNFMQF-UHFFFAOYSA-N 367.449 5.304 0 1 FKAF COc1cc(C2(c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)CC2)ccc1C 587925596 BHKLTBAGGPKZAF-UHFFFAOYSA-N 364.342 5.118 0 1 FKAF Fc1c(F)c(F)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1F 587955649 KFNRADCHFRWOLW-CQSZACIVSA-N 370.349 5.494 0 1 FKAF O=C(O)c1ccc([C@@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653793817 CGDOTKCBAFTQBQ-QGZVFWFLSA-N 368.864 5.627 0 1 FKAF COc1ccc([C@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653799693 RTCKQHHNBFDKIY-KRWDZBQOSA-N 354.881 5.937 0 1 FKAF CCC[C@H](C)[C@]1(C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961781332 JAMXVTQGUOYEHO-QMHKHESXSA-N 372.553 5.489 0 1 FKAF c1ccc(-c2cccc3c2[C@H](c2ccc([C@@H]4CCCCO4)o2)NCC3)cc1 962658477 CRUMKBFZOFVJSF-RDPSFJRHSA-N 359.469 5.423 0 1 FKAF Cc1cccc2c([C@]3(C)c4ccsc4CCN3Cc3cccnc3)c[nH]c12 963020203 ZRKHCCMHSXMUMO-QHCPKHFHSA-N 373.525 5.255 0 1 FKAF CCC(C)(C)[C@]1(c2cccc(F)c2)c2ccc(F)cc2C[C@H]2CCCN21 963101678 DXAPRANQVVRTMD-OFNKIYASSA-N 355.472 5.665 0 1 FKAF NC[C@H](Oc1noc2ccc(-c3ccccc3Cl)cc12)c1ccccc1 1857546800 HHSLFPVGKCXEOG-FQEVSTJZSA-N 364.832 5.227 0 1 FKAF Oc1cccc(-c2cnc3cnc(-c4ccc(Cl)cc4Cl)cn23)c1 1857618204 UOOOEPSASPLJDP-UHFFFAOYSA-N 356.212 5.076 0 1 FKAF Nc1sc2c(-c3ccccc3)cccc2c1Nc1ccc(F)c(Cl)c1 1857649470 GTMRSQDLGFFXES-UHFFFAOYSA-N 368.864 6.687 0 1 FKAF COC(=O)c1ccc(OC)c(CC=C(C)CCC=C(C)CCC=C(C)C)c1 2356316461 MBDUGMBXZGZGEK-UHFFFAOYSA-N 370.533 6.444 0 1 FKAF CC[C@@H](O)CCCCCC=CCCCCCCCc1cc(O)cc(O)c1 2356803516 XEDGDIMDGZCJGE-OAQYLSRUSA-N 362.554 6.259 0 1 FKAF CC(C)N(Cc1cccc(-c2ccco2)c1)C(=O)c1ccc2ccccc2n1 2382225738 FYODTAJIMALLQB-UHFFFAOYSA-N 370.452 5.546 0 1 FKAF CC(C)(C)c1ccc([C@@H](O)c2ncc(-c3ccc4ccccc4c3)[nH]2)cc1 61926931 UUFUKYKMBGJOPW-JOCHJYFZSA-N 356.469 5.609 0 3 FKAF CCc1cccc(CC)c1NC(=O)NCC1(c2ccccc2)CCCCC1 1889411 GLJARDADMVXXBJ-UHFFFAOYSA-N 364.533 5.835 0 1 FKAF Cc1ccccc1C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 13612018 JRQGZKOEKPZRAE-UHFFFAOYSA-N 362.395 5.425 0 1 FKAF C[C@@H](Cc1ccccc1)N[C@H]1C[C@@H]2c3ccccc3CCc3cccc1c32 13685322 DNSDIYWJKBRJKP-MUEKUWCCSA-N 353.509 5.583 0 1 FKAF CC(C)(C)c1cc(/C=C/c2ccccc2C(=O)O)cc(C(C)(C)C)c1O 25988176 QDGJTWFBJNTGAZ-VAWYXSNFSA-N 352.474 5.856 0 1 FKAF C(=C/c1ccccc1)\COCC1CCN(Cc2cccc3ccccc23)CC1 26399411 QQVFBNYVCSFHMT-JXMROGBWSA-N 371.524 5.782 0 1 FKAF CCOC(=O)c1ccc(NC(=O)CCCCCc2ccc(Cl)cc2)cc1 28771818 JISJQYBPTXOSHG-UHFFFAOYSA-N 373.880 5.258 0 1 FKAF Fc1cccc(F)c1-c1nc(-c2ccccc2)c(-c2ccc3nc[nH]c3c2)[nH]1 29131046 UVWRWJVEPPBDPX-UHFFFAOYSA-N 372.378 5.565 0 1 FKAF CC(C)COc1ccc(NC(=S)Nc2ccc(OCC(C)C)cc2)cc1 33488177 POJFSTPIFUHNIH-UHFFFAOYSA-N 372.534 5.565 0 1 FKAF Clc1ccc2[nH]c(-c3ccccc3Cn3ccc4cnccc43)nc2c1 36338794 JNJLFISRSZHOHY-UHFFFAOYSA-N 358.832 5.281 0 1 FKAF CC(C)(C)Oc1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1 40379515 CGFBDMOUJWFUTH-XNTDXEJSSA-N 352.405 5.415 0 1 FKAF CCCSc1ncccc1C(=O)Nc1ccccc1Nc1ccccc1 44939824 KLOKGQKPHRSDLB-UHFFFAOYSA-N 363.486 5.580 0 1 FKAF c1ccc(-c2ccc(Oc3ccc(OC[C@H]4CCCCN4)cc3)cc2)cc1 49088400 OFUKQKWKCUIKLJ-OAQYLSRUSA-N 359.469 5.667 0 1 FKAF O=C1c2cccc(Cl)c2[C@@H](Cc2ccccc2)c2cccc(Cl)c21 64264544 JALNFPAQHPYTTE-INIZCTEOSA-N 353.248 5.912 0 1 FKAF COc1cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1C 73221911 IRSGIXPKMZIYBS-UHFFFAOYSA-N 358.747 5.320 0 1 FKAF N[C@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 84651983 VEANKELZZUCKRH-HNNXBMFYSA-N 374.271 5.019 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(Cl)c3)nc(-c3ccccn3)c2)cc1 95554785 FCJDFHBSHUUBIA-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF C[C@H](OC(=O)Nc1c(-c2ccc(F)cc2)cnn1C)c1ccccc1Cl 95573255 GHHHFOOMBYUUEO-LBPRGKRZSA-N 373.815 5.189 0 1 FKAF COc1cccc(N[C@H](C(=O)c2c[nH]c3cccc(F)c23)c2ccccc2)c1 218338035 JYANWVKKSOLFHG-QFIPXVFZSA-N 374.415 5.352 0 1 FKAF Clc1ccc(-c2nc3ccc(Nc4ncnc5ccccc45)cc3[nH]2)cc1 299824448 AVYOLAXEGQHYJJ-UHFFFAOYSA-N 371.831 5.570 0 1 FKAF CCOC(=O)c1ccc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2c1 586878475 ILPVIJYADUAYMM-UHFFFAOYSA-N 356.425 5.382 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 586898007 DVDHQRPSAILVIX-UHFFFAOYSA-N 355.319 5.016 0 1 FKAF CC1(C)COc2c(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cccc21 586910777 BCXXNQBVCRUBOH-UHFFFAOYSA-N 350.315 5.058 0 1 FKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(F)c(F)c4[nH]3)c2)cc1 587067795 PLHHDUCYEALPMX-UHFFFAOYSA-N 370.786 5.321 0 1 FKAF FC(F)(F)c1ccc(-c2nc3ccnc(Cl)c3[nH]2)c(C(F)(F)F)c1 587094539 BBYDAHGOBXRVLR-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF Cc1ccc2c3c(cc(-c4cnc5ccccn45)nc13)-c1ccccc1C2=O 587098203 SBJZSMAPDPXXNZ-UHFFFAOYSA-N 361.404 5.069 0 1 FKAF CC1=C(C)O[C@@](C)(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC1 587100734 GLUIOCGPZMXGQV-RUZDIDTESA-N 369.464 6.074 0 1 FKAF Cc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Cl 587132289 PGHNIHSRHPSMRN-NSCUHMNNSA-N 358.697 5.391 0 1 FKAF Cc1cc(Br)c(-c2nc3cc4ccccc4cc3[nH]2)cc1F 587137970 UYDHCOZVHWGABP-UHFFFAOYSA-N 355.210 5.593 0 1 FKAF Nc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c2ccccc2c1 587252524 YPELPEHCTQBUGY-UHFFFAOYSA-N 372.653 5.381 0 1 FKAF COc1ccc(-c2nc3c(s2)-c2nc4cccc5c4c(c2CC3)CC5)cc1 587360906 QYIMUZQFEQVBER-UHFFFAOYSA-N 370.477 5.231 0 1 FKAF COc1cccc(-c2c(C)c(-c3cnn(C)c3)nc3c2oc2ccccc23)c1 587362960 KIBVIFPZLOLOKE-UHFFFAOYSA-N 369.424 5.366 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(C1CCC(C(F)(F)F)CC1)CC2=O 587464104 ILXHJZNOZHOSSJ-RMTLACHYSA-N 370.411 5.437 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C)c3ccccc13)CC2=O 587490631 SGVKUCPXOCLLAR-XMMPIXPASA-N 360.453 5.687 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H](c1ccccc1)C2 587605368 ZENIPNCBUPPLNB-NYQDVAGCSA-N 372.420 5.060 0 1 FKAF CC(C)(C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 587629180 XXLOMRVWJZDWMM-UHFFFAOYSA-N 366.219 5.643 0 1 FKAF CC(C)c1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2ccc(F)c(Cl)c12 587631767 SUNAEEDODQYOOJ-JTQLQIEISA-N 354.853 5.670 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(COC/C=C\c3ccccc3)nc2c1 587780849 KGGRGZGEKUMWDZ-DAXSKMNVSA-N 366.770 5.465 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccsc2)N1 587852801 JDZQFNUYIHMBEN-DIFFPNOSSA-N 368.315 5.032 0 1 FKAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(C)ccc2C(C)C)n1 587944601 HGAZBCWDUGETAL-UHFFFAOYSA-N 357.454 5.130 0 1 FKAF O=C1CCc2c(/C=C3\c4ccccc4COc4cc(F)ccc43)cccc21 653723246 BKVOJUMRHPALSJ-WSDLNYQXSA-N 356.396 5.436 0 1 FKAF Cc1ccc([C@@]2(C(C)(C)C)c3c(F)cccc3C[C@H]3CCCN32)cc1C 963116978 YJYJKKHSLCUFQG-YKSBVNFPSA-N 351.509 5.753 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(F)c3)nc3c2Cc2cc(O)ccc2-3)c1 1857619952 LRBCOFQAMQTKJR-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CC(=O)OC=C1CCC=C(C)C[C@H]2OC(=O)[C@H]1[C@@H]2[C@H](C)CCC=C(C)C 2356344722 DFKHRBLZEJCJLU-QYRPDUKASA-N 360.494 5.104 0 1 FKAF CC(=CCc1c(O)c(C)cc(C=O)c1O)CC[C@]1(C)CC[C@@H](C)C(=O)[C@@H]1C 2356702557 JTWHVIZCDKVJLU-LPXYKDPNSA-N 372.505 5.129 0 1 FKAF Cc1ccc(-c2c(CN3CCC(N4CCCCC4)CC3)csc2C)cc1 6895171 WGXHKKUPNYZXCN-UHFFFAOYSA-N 368.590 5.482 0 1 FKAF CC[C@@](C)(O)CCCCCCCCCc1[nH]c2ccccc2c(=O)c1OC 14489875 HABOQMMTJQWRIU-HSZRJFAPSA-N 373.537 5.361 0 1 FKAF biogenic,in-vitro Cc1csc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 15830271 IAOXVFKNNABUGQ-SFHVURJKSA-N 353.878 5.461 0 1 FKAF CCc1n[nH]c(CC)c1CCCCCCOc1ccc(O)cc1Cl 27847490 JXVLDKLKUMGCNK-UHFFFAOYSA-N 350.890 5.075 0 1 FKAF CCCCNC(=O)OCCCCCCCCCCOC(=O)NCCCC 28368997 KASTZKCQMNBGMI-UHFFFAOYSA-N 372.550 5.160 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 33649495 XAUNJOUEWQWLCP-QIJZPMMNSA-N 370.577 7.323 0 1 FKAF in-vitro Cc1cccc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)c1 36124536 JWHJBCAUIIRKGP-UHFFFAOYSA-N 352.455 5.595 0 1 FKAF Cc1cc2c(c(=S)[nH]1)C(=O)N/C2=C\c1ccc(-c2ccccc2)s1 40862065 LBCCFMFFNNGJCZ-GDNBJRDFSA-N 350.468 5.023 0 1 FKAF Cc1ccc([C@@H](CCn2ccnc2)Oc2c(Cl)cccc2Cl)cc1 40874298 PXFNHVSJTAUZLR-GOSISDBHSA-N 361.272 5.709 0 1 FKAF Clc1ccc([C@@H]2Cc3[nH]c4ccc(Cl)cc4c3S2)c(Cl)c1 42922148 HFQCRCRYOJMKDY-HNNXBMFYSA-N 354.689 6.518 0 1 FKAF CC(C)Cc1cn(-c2nc(-c3nc4ccccc4[nH]3)cs2)c2ccncc12 45321969 GQTHWQBYIQSYLY-UHFFFAOYSA-N 373.485 5.224 0 1 FKAF O=C(c1ccc(NC2CCCCC2)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 64559410 LFMHTUADSRDWLA-SFTDATJTSA-N 353.893 6.071 0 1 FKAF Clc1ccc([C@@H](NCCc2c[nH]c3ccccc23)c2cccnc2)cc1 72101561 ZCVKSSVHTLGOKT-JOCHJYFZSA-N 361.876 5.138 0 1 FKAF CCCOc1ccc(-c2nc(CN[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)co2)cc1 72185927 YNOFERQKWOTVDZ-ZHFAOOELSA-N 368.521 5.291 0 1 FKAF Cn1c(C(=O)O)c(CCCOc2cccc3ccccc23)c2ccccc21 95597311 WDWZXNZFJUGMSF-UHFFFAOYSA-N 359.425 5.041 0 1 FKAF CCOc1cccc(-c2cc(C)c(Nc3ccc(C)cc3C(=O)O)cn2)c1 96173347 MPVNLZRLXIKJFP-UHFFFAOYSA-N 362.429 5.206 0 1 FKAF Fc1ccc(CCCCN2[C@@H]3CCC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 100758027 HFDHTQNBCFVPGS-AUSIDOKSSA-N 362.492 5.782 0 1 FKAF CCCc1ccc(Nc2nc(-c3c(Cl)cccc3Cl)cs2)cc1 103278996 UAMZGNUTELUAHE-UHFFFAOYSA-N 363.313 6.813 0 1 FKAF Fc1cncc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1 139435958 SYPRUTYFIWALKZ-UHFFFAOYSA-N 358.376 5.214 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](F)CC[C@@]43C)[C@@H]1CC=C2c1cncc(F)c1 141099308 JTENITBMRQBARH-IXSAPAIESA-N 369.499 6.515 0 1 FKAF Cc1ccc2c(c1)N[C@H](c1ccccc1F)[C@H]1C(=O)CC(C)(C)CC1=N2 169722124 ZSBMMHHNMNYYCN-NHCUHLMSSA-N 350.437 5.379 0 1 FKAF CCOc1ccc([C@@H]2CC(C(C)(C)C)=NN2c2ccc(C(=O)O)cc2)cc1 203670307 IQVKJUFCHCHVNQ-IBGZPJMESA-N 366.461 5.137 0 1 FKAF CCN(CC)c1nc(-c2ccc(OC)cc2)c(Cc2ccccc2)s1 210755103 BPMGWXYHNZEHAS-UHFFFAOYSA-N 352.503 5.256 0 1 FKAF Clc1ccc(C2(c3nnc4c(Oc5ccccc5)cccn34)CC2)cc1 299829987 ULRAWWVMQFIUCW-UHFFFAOYSA-N 361.832 5.255 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cs2)o1 587017002 QTITZOSIESJYSQ-UHFFFAOYSA-N 367.327 5.413 0 1 FKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(F)c(F)c4[nH]3)c2)c1 587051041 WSXLJEKUADPEDR-UHFFFAOYSA-N 368.770 5.641 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587069819 LCBKLLZBGFMSSX-QMMMGPOBSA-N 368.651 5.295 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1ccccc1[C@H](O)C4)-c1ccccc1C2=O 587101096 JVDULKWOQJKBFM-HXUWFJFHSA-N 363.416 5.011 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2cccc(OC(F)(F)F)c2[nH]1 587156324 UFYYOBRSQQTGKW-GFCCVEGCSA-N 354.303 5.131 0 1 FKAF Cc1nc2c(C)cccc2c(Cl)c1Cc1c(C)nc2cccc3c2c1CC3 587209830 ZGBRLERSVYUXAP-UHFFFAOYSA-N 372.899 6.051 0 1 FKAF Fc1ccc(Oc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1F 587210187 IRXYQXPEKKRYKH-UHFFFAOYSA-N 359.375 6.071 0 1 FKAF CC(C)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353939 PORRYKLNMIQKGC-UDOFLQGHSA-N 368.448 5.475 0 1 FKAF COc1cccc(-c2cc(CC(F)(F)F)nc3c2oc2ccccc23)c1 587359335 FPDXPGBKLAIFOT-UHFFFAOYSA-N 357.331 5.761 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4cccs4)cc1)[C@@H](C2)C3=O 587448642 ALJZGBCUSQNNMJ-JTSKRJEESA-N 362.450 5.087 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H](c3ccccc3)C1)CC2=O 587485550 VUGZUOVXXQPTKE-KOSHJBKYSA-N 364.485 5.797 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccs3)s1)CC2=O 587492210 BLRPFUCBAXUHJK-INIZCTEOSA-N 370.495 5.841 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1nc(-c3cccs3)oc1C)CC2=O 587496286 VPFTWQNQADBWNC-INIZCTEOSA-N 369.442 5.076 0 1 FKAF O=C1C[C@@]2(CCc3ccc(Cl)cc3C2)Oc2c1ccc1c2CCCC1 587501689 PXYZDNBYISJZGQ-QFIPXVFZSA-N 352.861 5.112 0 1 FKAF CC(C)C[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502378 QXLIYOUHSGMFTL-QHCPKHFHSA-N 368.904 6.126 0 1 FKAF O=C1C[C@@H](c2c(F)cccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587502823 BKLXFHPLPZRUGC-KRWDZBQOSA-N 364.338 5.430 0 1 FKAF O=C1C[C@H](c2ccccc2Oc2cccnc2)Oc2c1ccc1c2CCCC1 587513591 DDWYCENUUVUWGF-HSZRJFAPSA-N 371.436 5.459 0 1 FKAF C[C@@]1(c2cccc(C3CC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602066 IOZTVTALIMJASX-QPPBQGQZSA-N 372.420 5.147 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccccc3Cl)[nH]c12 587624412 LGRGEOBVXDDDHS-UHFFFAOYSA-N 372.173 6.195 0 1 FKAF CC(C)=CCC/C(C)=C/[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821457 VDDZJNABHFXLAN-VOORUYIGSA-N 366.318 5.856 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C)c(C)c1 587866240 YCLXZDCTCRIMNG-UHFFFAOYSA-N 360.379 5.574 0 1 FKAF Fc1ccc2c(c1)-c1cc(n(-c3ccnc4c(C(F)(F)F)cccc34)n1)O2 587874301 TZUAJJUJSUSBFQ-UHFFFAOYSA-N 371.293 5.351 0 1 FKAF Cc1ccc2c([C@@H]3c4ccsc4CCN3Cc3cccn3C)c[nH]c2c1 962400323 UHEDGTBIMYAKLJ-QFIPXVFZSA-N 361.514 5.024 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(Cl)cc3)c3oc4ccccc4c3n2)cc1 1772590235 CEAVDKYMPOSOFA-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF C/C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772633612 GJVKKAUAEKPRDC-LOVUTTRZSA-N 369.637 6.830 0 1 FKAF COc1ccc2c([nH]c3cc(O)c(C)cc32)c1CC=C(C)CCC=C(C)C 2356477965 OFHARTBNOLXMFZ-UHFFFAOYSA-N 363.501 6.579 0 1 FKAF O=C1C[C@@H](c2ccco2)Sc2ccccc2N1Cc1ccccc1F 5053387 HUJFCMDTWFXQIQ-IBGZPJMESA-N 353.418 5.189 0 1 FKAF O=C(O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1 13642435 MFVXCYJFQJHNBS-UHFFFAOYSA-N 367.619 5.198 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@@H]21 14952787 XAUNJOUEWQWLCP-MMKMLUHNSA-N 370.577 7.323 0 1 FKAF in-vitro C[C@H](CCC(=O)O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 33820966 DEQAPBOSYFPJKQ-IMRKFHMDSA-N 372.549 5.347 0 1 FKAF Clc1ccc(-c2nc(CN[C@H]3CCc4ccccc43)co2)c(Cl)c1 72142908 BKGXLDIMABGWPF-SFHVURJKSA-N 359.256 5.426 0 1 FKAF Cc1ccc(-c2cc(NCc3ccc(F)cc3C(F)(F)F)ncn2)cc1 82161092 QNLCKDWLBWWIJN-UHFFFAOYSA-N 361.342 5.222 0 1 FKAF Cc1ccc(/C=C/C2=C[C@]3(C)C[C@]2(C)[C@@H](c2ccc(C)cc2)CC3=O)cc1 169299316 VNDABGLWEBDVEO-BBEFWFDJSA-N 356.509 6.416 0 1 FKAF CC1(C)COc2c(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cccc21 586912472 SSLLRZMFRRGPFT-UHFFFAOYSA-N 372.493 6.051 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 587043512 QYJGRVVRCXCQCT-FQEVSTJZSA-N 356.450 5.183 0 1 FKAF COc1cc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2cc1C 587065943 FWJPSJBQLWCAQW-UHFFFAOYSA-N 351.837 5.299 0 1 FKAF CCOc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cn1 587097135 LPBMCBPPESXYKD-UHFFFAOYSA-N 366.420 5.215 0 1 FKAF Cc1c(-c2nc3cc(Cl)cc(F)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587166039 LEHYZQCEUIQVIX-UHFFFAOYSA-N 357.791 5.475 0 1 FKAF Cc1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1C 587192612 WWTJOBYPPRTZRS-LJQANCHMSA-N 365.477 5.136 0 1 FKAF Cc1ccc(NC2(c3nc4cc(Cl)nc(Cl)c4[nH]3)CCCC2)cc1 587236627 BTPIVKWFOFQNGD-UHFFFAOYSA-N 361.276 5.455 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC(C)(C)c3ccccc31)CC2=O 587480531 LBVRREMWNHZSSF-QHCPKHFHSA-N 350.458 5.277 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(CC(C)(C)c1ccccc1)CC2=O 587491755 YWALFQCDOMOVLO-QHCPKHFHSA-N 352.474 5.437 0 1 FKAF Cc1ccccc1-n1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587514011 DKESRVZTSISIEG-HSZRJFAPSA-N 357.453 5.371 0 1 FKAF O=C1C[C@]2(CC3(CCCC3)Oc3ccccc32)Oc2c1ccc1c2CCCC1 587535065 IIRKKYZOHCNDJZ-RUZDIDTESA-N 374.480 5.521 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2C2CCCC2)N1 587823905 SIXJGFCKXAMZOJ-XFHNUULXSA-N 366.318 5.308 0 1 FKAF CCCC/C=C/c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587966941 ZRHBJEDJQBEEAA-BQYQJAHWSA-N 351.288 5.564 0 1 FKAF C[C@@H](Nc1ncnc2sc(-c3cccc(C=O)c3)cc12)c1ccccc1 653695844 WBYQYOJFKLMZCX-CQSZACIVSA-N 359.454 5.344 0 1 FKAF CC(=O)CCCCCC[C@]1(C)c2ccsc2CCN1Cc1ccco1 962711574 MEWMBTPHGYDFDP-OAQYLSRUSA-N 359.535 5.544 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1c(F)cccc1C(F)(F)F 963098441 GVTIZRFTTKOADH-ACJLOTCBSA-N 353.334 5.094 0 1 FKAF CCCCC[C@H](O)C=CC(O)=C(O)CC=CCCCCCCC(=O)O 2356313956 PBCZCSXKHMNACJ-KRWDZBQOSA-N 354.487 5.183 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@H]2O 2356697261 OEECLXWCHUIMAU-FFSLYTIQSA-N 374.565 5.222 0 1 FKAF CC(C)=CCCC(C)=CCC[C@]1(C)C=Cc2c(O)cc(C=O)c(C=O)c2O1 2356822420 FVJBNPDJEOVNCI-HSZRJFAPSA-N 368.473 5.654 0 1 FKAF CC(=O)Oc1cc2c(cc1O)O[C@]13CCCC(C)(C)[C@@H]1CC[C@H](C)[C@]3(C)C2 2356863658 VHLWWGUJUDALRY-USDOHBJKSA-N 372.505 5.254 0 1 FKAF Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1ccc2scnc2c1 3986243 MPLUZBXLUKZECM-UHFFFAOYSA-N 363.417 5.058 0 1 FKAF Clc1ccc(-c2c[nH]cc2[C@H](c2ccccc2)n2ccnc2)c(Cl)c1 5974672 YVZNNBJVUUZYEA-FQEVSTJZSA-N 368.267 5.823 0 1 FKAF Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2)cc1C 13474624 ANZAPACAXUOLFY-UHFFFAOYSA-N 362.477 5.431 0 1 FKAF Cc1ccc(C(=O)N(C)c2cc(-c3ccccc3)sc2C(=O)O)cc1C 13589574 INYPMETVMFIKDH-UHFFFAOYSA-N 365.454 5.007 0 1 FKAF COc1ccc([C@H](CC2CCCCC2)Nc2nc3ccccc3o2)cc1 28008143 NHBJAXOZABMWCC-FQEVSTJZSA-N 350.462 5.960 0 1 FKAF CCCCc1ccc2c(c1)c(OC)cc1nc(C(=O)c3ccccc3)cn12 28230031 QRVZQQDNUNVERW-UHFFFAOYSA-N 358.441 5.070 0 1 FKAF CCCC[C@@]1(CCCNC)Cc2ccccc2N(c2ccc(C)cc2)C1=O 28525905 ZTNSUUWAQMMYEF-XMMPIXPASA-N 364.533 5.392 0 1 FKAF FC(F)(F)c1cc(Cl)c(-n2cc(-c3ccccc3)nn2)c(Cl)c1 28825632 BIFRWXWQOHESSZ-UHFFFAOYSA-N 358.150 5.260 0 1 FKAF CC(C)=CCC/C(C)=C/CC[C@@]1(C)CC(=O)c2cc(C(=O)O)ccc2O1 40379615 WGCDLRCGHUQPCD-NAVGAYGYSA-N 356.462 5.582 0 1 FKAF O=C(O)c1cc2c(cc1O)-c1[nH]c3cc(C4CCCCC4)ccc3c1CC2 45496370 ATWVRTSGPNMRHC-UHFFFAOYSA-N 361.441 5.385 0 1 FKAF CCCCCCC(C)(C)c1cc(N)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 169323107 QFBWNULHSRGZRB-QGZVFWFLSA-N 369.593 7.261 0 1 FKAF CCc1c([C@H](C)c2c(F)cccc2Cl)nc(S[C@@H](C)CC)[nH]c1=O 169352215 HGXUUMSVWSUIFS-WDEREUQCSA-N 368.905 5.167 0 1 FKAF CC(C)/C=C\[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255200138 BKWBRNDZAJHCMT-QXVNXYNSSA-N 370.621 6.775 0 1 FKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(O)c(Cl)c2)C1 299828451 JKDMJTJJMOVVOW-MRXNPFEDSA-N 363.288 6.053 0 1 FKAF Cc1ccc([C@H](C)c2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)o1 586992362 VYKVFXGKTKIZGY-CYBMUJFWSA-N 355.393 5.205 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4c(F)cc(F)cc4[nH]3)cc2)n1 587020292 LYSRDUFZYZJCBW-UHFFFAOYSA-N 373.453 5.565 0 1 FKAF c1ccc(Oc2ccc3nc(C[C@@H]4OCCc5ccsc54)[nH]c3c2)cc1 587034070 CPQVQIXQMZGTAO-IBGZPJMESA-N 362.454 5.273 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(Cl)c(C)c2[nH]1 587073410 FBJNKPWNIQXMNV-UHFFFAOYSA-N 367.279 6.821 0 1 FKAF Cc1onc(-c2nc3c(C)ccc(C)c3[nH]2)c1COc1ccc(Cl)cc1 587076857 XIBUHZJEKABJNF-UHFFFAOYSA-N 367.836 5.376 0 1 FKAF FC(F)(F)c1cc(Br)c2[nH]c([C@H]3C[C@@H]3C(F)(F)F)nc2c1 587092887 HTLYWWJFRNNRHH-WDSKDSINSA-N 373.094 5.010 0 1 FKAF Cc1cc(Br)c(-c2nc3cc(Cl)cc(F)c3[nH]2)cc1F 587137713 HPTGOYGNEDCCIH-UHFFFAOYSA-N 357.585 5.232 0 1 FKAF COc1ccc(-c2ccc(-c3nc4c(C)nc(C)cc4[nH]3)c(F)c2)c(F)c1 587152781 QOBMXXSOLYGURN-UHFFFAOYSA-N 365.383 5.196 0 1 FKAF CC(C)c1nc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cs1 587208161 MKAWXPGIYDRUBN-UHFFFAOYSA-N 356.450 5.693 0 1 FKAF COc1cccc(-c2cc(-c3ccc(O)cc3)nc3c2oc2ccccc23)c1 587366864 QYASIOCHFCXBPR-UHFFFAOYSA-N 367.404 6.029 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(Cl)c1Cl)CC2=O 587460910 HMBMHNVJSJBVBI-LJQANCHMSA-N 365.256 5.532 0 1 FKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(C)cc1)(C(C)C)CC2=O 587489966 QDKWBDNMNUMGOB-QHCPKHFHSA-N 352.474 5.256 0 1 FKAF CCCc1c(O)ccc2c1O[C@H]([C@@H](CC(C)C)c1ccccc1)CC2=O 587490080 RJTFUJUUTUJOJE-UGKGYDQZSA-N 352.474 5.508 0 1 FKAF CC(C)Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587604781 YLRVCVLWZWLEAV-QPPBQGQZSA-N 374.436 5.294 0 1 FKAF Cc1cc(Cl)cc2c(-c3cccc(F)c3)c(-c3cccc(F)c3)[nH]c12 587624088 CGPPRWOSSLWYIB-UHFFFAOYSA-N 353.799 6.742 0 1 FKAF CCOC(=O)c1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)c1ccc(F)cc1 587643964 ZIDJOAQUUFLTCF-CYBMUJFWSA-N 367.420 5.228 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Cl)c2)N1 587698675 IXQLYMHJJPBLOG-QGHHPUGFSA-N 368.677 5.039 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 587780357 QQZVQZCDQVCCNP-OAQYLSRUSA-N 372.428 5.019 0 1 FKAF CCCC[C@H](CC)C[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587817220 AKZFKXIHWGICJS-VBHSOAQHSA-N 356.323 5.770 0 1 FKAF CC[C@H](C)[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587823394 PRUTWCKPYNAAFS-NGOJXBLDSA-N 368.334 5.554 0 1 FKAF Fc1c(Br)ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587952029 WNZKZOCWANXFDY-UHFFFAOYSA-N 361.214 5.063 0 1 FKAF FC(F)(F)Sc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 587964822 IKESKXPJAXUDJP-UHFFFAOYSA-N 364.436 6.014 0 1 FKAF Oc1ccc(Nc2nnc(-c3ccc(CCC4CCCCC4)cc3)o2)cc1 653714812 OCAHECKAKZEKEV-UHFFFAOYSA-N 363.461 5.699 0 1 FKAF CCCCCC[C@H]1C[C@H]1CCCCCCCc1cc(O)c(Cl)c(O)c1 1857631252 FERHXYDKUSCKHE-RBUKOAKNSA-N 366.973 7.241 0 1 FKAF CCCC(=O)Nc1cc(N(C)c2cc(C)nc3ccccc23)ccc1OC 1857643933 QGJTYGZEFBBAQA-UHFFFAOYSA-N 363.461 5.058 0 1 FKAF Clc1ccc2nc(SCc3ccccc3Cc3ccccc3)[nH]c2c1 1857650449 GMJBJGFASSBCBA-UHFFFAOYSA-N 364.901 6.099 0 1 FKAF Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1CC(C)C 1857765854 MUPIWPQXMROIJV-UHFFFAOYSA-N 354.538 5.075 0 1 FKAF O=C1[C@H](c2cccc3ccccc23)Oc2ccccc2N1Cc1ccccc1 1857766874 IELYJBZATKSZGJ-DEOSSOPVSA-N 365.432 5.507 0 1 FKAF CCCCCC=CCC=CCCCCC[C@@H]1CC(=O)[C@@H]2CCCC[C@@H]2N1C 2356848298 PDIJVDGSENRHCD-SMIHKQSGSA-N 373.625 6.852 0 1 FKAF Cc1ccc(-c2nc(-c3ccc(Cl)cc3)sc2CC(=O)O)c(C)c1 2955996 VWSJEDVSDWDFCE-UHFFFAOYSA-N 357.862 5.374 0 3 FKAF Nc1ccc2sc3c(Nc4cccc(C(F)(F)F)c4)ncnc3c2c1 3815245 INSDTUVLNWKIRF-UHFFFAOYSA-N 360.364 5.189 0 1 FKAF CN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3)c1ccccc1 6736940 SMAGIKLWDSFQSW-UHFFFAOYSA-N 350.849 5.044 0 1 FKAF CCc1ccc(C[C@](C)(Oc2ccc(Cc3ccccc3)cc2)C(=O)O)cc1 27526627 MZRZMRWTCSDTCN-VWLOTQADSA-N 374.480 5.305 0 1 FKAF CCCC[C@H](CC)CC(=O)c1ccccc1C(=O)C[C@@H](CC)CCCC 72187400 ZUUMDAOVLDVZID-PMACEKPBSA-N 358.566 7.265 0 1 FKAF CCCCNc1ncc(-c2ncc(CC)s2)c(-c2ccccc2F)n1 82174980 AJDAYQCXPQZWJJ-UHFFFAOYSA-N 356.470 5.181 0 1 FKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc([C@@H](C)O)cc1 96940163 RMNUOCJSKSTSEA-QGZVFWFLSA-N 370.448 5.797 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2cc(F)cc(F)c2)nn1 103186320 LGVHVNFQIATITR-UHFFFAOYSA-N 366.289 5.541 0 1 FKAF Cc1cc(N)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2n1 103237094 DVRYCISNGRIQDW-UHFFFAOYSA-N 353.425 5.045 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2 147712465 WISKNMYMNRQYOL-HOTGVXAUSA-N 353.506 6.402 0 1 FKAF CCN1[C@@H](CC[C@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CCC1(C)C 169347346 JMUXXPVTXZBUDS-GCOKGBOCSA-N 361.570 5.034 0 1 FKAF CC(=O)O/C=C1CC[C@@H](C)[C@](C)(CCc2ccoc2)C/C=C\C=C/1C(=O)O 238781976 JRQGPOFUTKGREC-BRBJPRMLSA-N 372.461 5.053 0 1 FKAF CCCn1cnc2cc(-c3nc4ccc(C)cc4[nH]3)cc(Br)c21 587003139 FTFHPSGPEXADQT-UHFFFAOYSA-N 369.266 5.061 0 1 FKAF Cc1cc2nc(CSCc3ccsc3)[nH]c2cc1Br 587027553 RXJBIPZXYKAPHD-UHFFFAOYSA-N 353.310 5.129 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587068427 ABYICHDIVIDAJG-SECBINFHSA-N 367.758 5.007 0 1 FKAF Clc1nc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc2ccccc12 587085700 BPKQIWLMFRGQQC-UHFFFAOYSA-N 371.827 6.224 0 1 FKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c1 587096609 FMYJHEZKLLXFMM-UHFFFAOYSA-N 365.432 5.739 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@]1(C)CC[C@H]4C1(C)C)-c1ccccc1C2=O 587100910 PZORXQAFSOBCQJ-NSYGIPOTSA-N 353.465 5.930 0 1 FKAF CCCC[C@H](O)c1nc2cccc3c2c(c1CCC)-c1ccccc1C3=O 587205959 FMNANRIZFVEMKR-FQEVSTJZSA-N 359.469 5.622 0 1 FKAF N[C@@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1cccc2ccccc12 587258666 IMSHENOGWDKYFH-INIZCTEOSA-N 373.353 5.117 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1oc3cc(OC)ccc3c1C)CC2=O 587485217 UBZKGRWBLKDJKI-HXUWFJFHSA-N 366.413 5.114 0 1 FKAF CC(C)COc1cccc(OCc2nc3ccc4c(c3[nH]2)CCCC4)c1 587565868 LSAJCIPDULQRHR-UHFFFAOYSA-N 350.462 5.056 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(F)cc3)c2c1 587639774 CLBOHUZTAHQABR-NSHDSACASA-N 363.354 6.070 0 1 FKAF Cc1cc(Cl)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587700553 UUHSZVYDIKWSIZ-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF COc1ccc(-c2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(O)c2)cc1OC 587927603 SKAMVGPRMRSPHL-UHFFFAOYSA-N 374.440 5.237 0 1 FKAF COc1cccc(C2(c3nc4cc(Cl)cc(Cl)c4[nH]3)CCCC2)c1 587930587 IOOJFPRYNSESBY-UHFFFAOYSA-N 361.272 5.738 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 587933342 WJLJLEJRDAVZIK-UHFFFAOYSA-N 353.784 5.093 0 1 FKAF C/C(=C/c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C1CCCCC1 587967867 MZLDBUUOTUWPQH-YFHOEESVSA-N 358.791 6.099 0 1 FKAF C/C(=C\c1nc2cc(Br)c(F)c(F)c2[nH]1)C1CCCCC1 587968830 UUNLRGAIRPLOQM-VQHVLOKHSA-N 355.226 5.587 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cccc(OC)c1O[C@@H](C)CC 963226815 HYCJODRSDZBAAT-IEGUWTFLSA-N 367.533 5.619 0 1 FKAF CCOC(=O)c1c(-c2cccc(Cl)c2)oc2c1cc(O)c1ccccc12 1857770513 ZRPPBBLDNSMLAM-UHFFFAOYSA-N 366.800 5.789 0 1 FKAF COC(=O)C[C@@]12CCCC(C)(C)[C@H]1CCc1cc(C(C)C)c(OC)c(O)c12 2356767102 PEMXBDYXGOJWNI-HXOBKFHXSA-N 374.521 5.098 0 1 FKAF CC(=O)OC=C1C[C@H](C)[C@](O)(CCc2ccoc2)[C@]2(C)CCCC(C)(C)[C@@H]12 2356773547 BYUMYSPTNUHTMR-DQOBCGMHSA-N 374.521 5.263 0 1 FKAF Clc1ccc(C2=NN=C3C(c4ccccc4)=Nc4ccccc4N3C2)cc1 5596427 HABJZKITEFOBAZ-UHFFFAOYSA-N 370.843 5.097 0 1 FKAF CCCc1nc(Nc2c(C)cc(C)cc2C)n2ccnc(N(CC)CC)c12 13437393 SLSZUHNBVDPEEH-UHFFFAOYSA-N 365.525 5.197 0 1 FKAF CN(C)CCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12 29480791 FICYCFGUUJWZSL-UHFFFAOYSA-N 355.485 5.419 0 1 FKAF O=C(CCCc1ccccc1)c1ccc(OC(F)F)c(OC(F)F)c1 40380587 IHYIJARFQFSVJI-UHFFFAOYSA-N 356.315 5.095 0 1 FKAF CC(C)Nc1cc(-c2nc3ccccc3nc2-c2ccc(F)cc2)ccn1 45245417 JQXHBPGAMYZRJM-UHFFFAOYSA-N 358.420 5.318 0 1 FKAF CCCCCn1c(-c2ccccc2)nc2c(NCc3ccccc3)ncnc21 82178209 BSHGLORVIAXDDW-UHFFFAOYSA-N 371.488 5.296 0 1 FKAF CC1=CCCC(C)(C)[C@H]1/C=C/c1cc(C(=O)Nc2ccc(Cl)cc2)no1 95580085 JDGNHQXUXMPYDJ-ZGKFYVQTSA-N 370.880 5.976 0 1 FKAF CCCCCSCC[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101002091 AIXODEBHLBBHQA-AUNWPNDGSA-N 354.556 5.295 0 1 FKAF O=C(Oc1ccccc1)c1cc(Cc2ccccc2)c(O)c2ccccc12 103191656 JGSJAWAKKHWOKY-UHFFFAOYSA-N 354.405 5.355 0 1 FKAF Cc1nc(C(F)(F)F)n2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 114880498 IVXSNVZBSOJWTN-UHFFFAOYSA-N 360.257 5.227 0 1 FKAF C[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(NC(=O)c3ccc(F)cc3)cc2)C1 147060237 UNCNQMSQVFFOKL-BPXKWBHBSA-N 366.480 5.198 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)N[C@@H](C)OC 231934431 FPVXVIYZKXLTPR-XGICOBCPSA-N 361.570 6.241 0 1 FKAF CC(C)CNC(=O)CCCCCCCC/C=C/c1ccc2c(c1)OCO2 238773809 MAWWJXXGJOKEBO-PKNBQFBNSA-N 359.510 5.322 0 1 FKAF COc1ccccc1NC(=O)c1cccc(-c2ccc3ccccc3c2)c1 299837940 PSEHMRCGQYJQIJ-UHFFFAOYSA-N 353.421 5.768 0 1 FKAF CNc1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1 299838263 UEDUAUJNUMDMFB-UHFFFAOYSA-N 352.825 5.088 0 1 FKAF Cc1nc2ccc(O)c3c2c(c1Cc1ccccc1F)-c1ccccc1C3=O 586988807 RGKKZJLVIFBDGM-UHFFFAOYSA-N 369.395 5.190 0 1 FKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4nc(Cl)c[nH]c-4n3)o2)c1 587052027 VCPFTMFOAQRWJK-UHFFFAOYSA-N 365.607 5.192 0 1 FKAF Cc1ccc2[nH]c3c(c2c1)Cc1c-3nc2cccc3c2c1-c1ccccc1C3=O 587105825 IKCBYAZIMZEOBX-UHFFFAOYSA-N 372.427 5.807 0 1 FKAF Fc1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1Br 587114109 VVBUGZNMQWOJMA-UHFFFAOYSA-N 359.120 5.150 0 1 FKAF CCc1c(CC(C)C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366083 QVRKVAFUDPEHRD-UHFFFAOYSA-N 359.469 6.418 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccc(Cl)cc3)s1)O2 587411642 FFVDGOFKDGINQD-MRXNPFEDSA-N 370.861 5.061 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c4c(ccc13)CCC4)CC2=O 587486681 SQQCSJWBJAJWOD-OAQYLSRUSA-N 361.441 5.021 0 1 FKAF O=C1C[C@@]2(CCC[C@H]2c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587509404 RMTPFDMNJFFQKX-NZQKXSOJSA-N 350.433 5.376 0 1 FKAF Cc1ccccc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525399 PGJITLMREYEUPO-RUZDIDTESA-N 368.476 6.247 0 1 FKAF C[C@]1(C23CCC(CC2)CC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603019 MKHOZVVMPPJZTG-HLGKMPCMSA-N 364.441 5.083 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3cccc(OC)c3)c2c1 587640079 BMTKCKIWFDBKCX-LBPRGKRZSA-N 357.400 5.859 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cl)c2F)N1 587727582 OIJLEKHXCBEGLD-ZKANADHPSA-N 372.640 5.004 0 1 FKAF CC[C@]1(C)C=C[C@@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587818983 TZVHGOHIYGCUKI-RZAIGCCYSA-N 352.291 5.084 0 1 FKAF CC(C)[C@@]1(C2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587819326 LSWHUGYVDYHTMU-YJYMSZOUSA-N 368.334 5.554 0 1 FKAF CC(C)[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587819834 WTYNEHBBESOIPC-DFHBCGBQSA-N 354.307 5.164 0 1 FKAF Cc1sc2c(c1C)CCNC21[C@H](C)CC([C@H]2C[C@H]3CC[C@H]2C3)C[C@H]1C 963014054 STYBSZKXPKCMHV-ZLRKWIILSA-N 357.607 5.824 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1csc2cnc(Cl)nc12 963241708 NLLYKIRZGLVUBP-SGTLLEGYSA-N 357.910 5.091 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)nc3c2Cc2ccc(O)cc2-3)c1 1857558894 ANBQYUHNYCLTAJ-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF CC1(C)CCC[C@H](C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)C1 1857648926 CJZHRQIAVOLYKV-JTQLQIEISA-N 356.413 5.470 0 1 FKAF COc1ccc(-c2cccc(Cl)c2)cc1C12CC3CC(CC(C3)C1)C2 2382220355 NTFIHCARSDSBRK-UHFFFAOYSA-N 352.905 6.483 0 1 FKAF O=C(Nc1ccc(NC2CCCC2)cc1Cl)c1cc(Cl)ccc1O 2382230316 CIZQRONZMWUTHZ-UHFFFAOYSA-N 365.260 5.306 0 1 FKAF CCSc1ccc(-c2c[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1 2382233225 AWIBSZRBJIMEKY-UHFFFAOYSA-N 369.486 5.487 0 1 FKAF O=c1c(O)c(-c2ccccc2)[nH]c2cc(F)c(Sc3ccccc3)cc12 2382245741 UPJHABGQIWVHGG-UHFFFAOYSA-N 363.413 5.191 0 1 FKAF C[C@@](O)(c1ccc(F)c(F)c1)c1nc(-c2cc3ccccc3o2)cs1 61904985 DHXJTCOUWHJDHF-LJQANCHMSA-N 357.381 5.090 0 3 FKAF CCSCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 3926364 WIBNXFJZSBZXAH-YHDSQAASSA-N 358.547 5.131 0 1 FKAF Oc1ccc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2 8689806 SONVLWOOIWYTEP-UHFFFAOYSA-N 373.290 5.285 0 1 FKAF COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@@H]2OC 14684693 QYAYIWOQUZDATC-ICSRJNTNSA-N 368.473 5.424 0 1 FKAF biogenic C[C@H]1CN(C)[C@H](C)CN1[C@@H]1C[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc21 22937964 VPBCZFXEYITWLJ-SVBQBFEESA-N 372.915 5.080 0 1 FKAF CCOc1ccc(-n2c(C)c3c(C)nnc(NC[C@@H](C)CC)c3c2C)cc1 28569397 KVWIBRKJWKMPQU-AWEZNQCLSA-N 366.509 5.202 0 1 FKAF Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cccc(C)c3o2)cc1 29048554 ZMFYMYFOXKVDCQ-UHFFFAOYSA-N 372.424 5.129 0 1 FKAF CC(C)(CCC(C)(C)N1O[C@@H]1c1ccccc1)N1O[C@@H]1c1ccccc1 31895074 ZVYPDPQJQPXXNB-LMHXZZLNSA-N 352.478 5.216 0 1 FKAF CCN1Cc2c(C)nc3ccc(OC)cc3c2N(c2cccc(Cl)c2)C1 32270095 DWOHYJFFKXNQCV-UHFFFAOYSA-N 367.880 5.136 0 1 FKAF CCNC1CCC(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)CC1 34806270 WKNJJZDFDCGVSZ-UHFFFAOYSA-N 366.534 5.303 0 1 FKAF CC(=O)N1CCCC2=C(C[C@@H]3CCC[C@H]4C[C@H](C)C[C@H](C)N34)C[C@H](C)C[C@@H]21 38933415 SQVLMNRAYSGFIW-ZYBPZFNLSA-N 372.597 5.155 0 1 FKAF CC(C)Oc1cccc2c(NCCc3ccc(C(C)(C)C)cc3)ncnc12 43061455 DMNGBZZKCZEGIH-UHFFFAOYSA-N 363.505 5.369 0 1 FKAF Fc1ccc(-n2ncc3cc(-c4ccccc4C(F)(F)F)ccc32)cc1 49125509 KXMIQTYNLXAGIV-UHFFFAOYSA-N 356.322 5.850 0 1 FKAF COc1ccc2c(c1)CC[C@H](Cc1ccccc1CCc1ccccc1)C2=O 64426594 UAIILEAJIDODOE-HSZRJFAPSA-N 370.492 5.468 0 1 FKAF C[C@@](Cc1ccccc1)(C1=Cc2ccccc2CC1)[C@@H](O)c1ccccc1 71341774 MFPYOOVWBRXSDG-IZZNHLLZSA-N 354.493 5.999 0 1 FKAF COc1ccc(CNc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1 103291065 AXHNKGQBTSFRJQ-UHFFFAOYSA-N 373.378 5.092 0 1 FKAF CCCCC[C@@H](Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O 163526745 USWXQWODEGJPLW-QGZVFWFLSA-N 366.567 6.113 0 1 FKAF COC1=CC2=N/C1=C/c1ccc([nH]1)CCCC/C=C/CCCc1cccc2c1 169568111 GTTQOLVPKWSQNQ-PJDBQLGLSA-N 372.512 5.994 0 1 FKAF CC(C)c1cc2c(c(Br)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 299832019 JOUQJBMVZKJBMQ-YWZLYKJASA-N 365.355 6.308 0 1 FKAF CCCCC(=O)Oc1cccc2c1-c1cccc3c1[C@H](C2)N(CCC)CC3 328577298 JGCVBGVDWQJTDF-FQEVSTJZSA-N 363.501 5.315 0 1 FKAF in-vitro Cc1cc(Br)cc2nc(-c3csc4ccc(O)cc34)[nH]c12 587031701 AEZSXLJGHZREPP-UHFFFAOYSA-N 359.248 5.221 0 1 FKAF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2cccnc2[nH]1 587051652 QWWCRHROLUTHDR-UHFFFAOYSA-N 355.828 6.099 0 1 FKAF Cc1cc(Cl)cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082805 WZMRWLZCWVECOK-UHFFFAOYSA-N 373.243 5.078 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@@H](C1CCCC1)C4)-c1ccccc1C2=O 587101853 WPTJKJYZVGZJGM-INIZCTEOSA-N 353.465 5.660 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)c(Cl)c2)cc1F 587145932 VDEASJYVHJMBIA-UHFFFAOYSA-N 371.242 6.651 0 1 FKAF Fc1ccc(/C=C\c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(F)c1 587151222 XJPNBUKEBFOWAA-RQOWECAXSA-N 358.697 5.684 0 1 FKAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587233535 RXLJGRMOYUYPGM-CABZTGNLSA-N 370.280 5.031 0 1 FKAF CC[C@H](C)c1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587391186 QBMTUAYIVYFILL-QMHKHESXSA-N 374.484 5.588 0 1 FKAF CCCCCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399791 KDGATUUHUKXKMH-JOCHJYFZSA-N 353.462 5.027 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(SC)ccc31)CC2=O 587493970 VCSRITZJTPEBJZ-JOCHJYFZSA-N 368.498 5.264 0 1 FKAF C[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508745 SRPXKGIXFVZVEC-HXUWFJFHSA-N 361.268 5.753 0 1 FKAF CC(C)(C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598510 BHPDWBNWYMHGCL-HYBUGGRVSA-N 374.436 5.295 0 1 FKAF CC(C)c1ccc(C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601740 GVHBNEJVYVLKDB-VXKWHMMOSA-N 374.436 5.089 0 1 FKAF Cc1cc(Cl)cc2c(N3C(=O)CCC3=O)c(-c3ccccc3Cl)[nH]c12 587624020 WFNIGTDUZABVSU-UHFFFAOYSA-N 373.239 5.104 0 1 FKAF CC(C)(C)c1[nH]c2ccc(F)c(Cl)c2c1Cc1ccc(Cl)cc1 587629184 YCZKYSMDCTZLLG-UHFFFAOYSA-N 350.264 6.502 0 1 FKAF C[C@@H](c1ccccc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810993 FKEBCWYZQVHWAS-QHRIQVFBSA-N 362.286 5.141 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C\c2ccccc2)N1 587816126 UQYWSSNAJDOGMR-SAXVRSFESA-N 360.270 5.051 0 1 FKAF CC[C@@]1(c2ccsc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587844395 NQAMUCVYKWVKQQ-BTDLBPIBSA-N 368.315 5.146 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc(C)cc4[nH]3)c2C)c(OC)c1 587928448 CTWGCUNTCVLXNR-UHFFFAOYSA-N 358.441 5.531 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)cc1 587935509 MTKZPTIKZKSVTB-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF C[C@]1([C@@H]2C[C@H]2c2c(F)cccc2Cl)c2c(F)cccc2C[C@@H]2CCCN21 963108627 PGBICGQTFFVQQX-YNZWCRRESA-N 373.874 5.658 0 1 FKAF C[C@H]1Cc2ccc(Cl)cc2[C@]12NCCc1c(Cl)cc(Cl)cc12 963115190 ZXGBGTZAKZMNLS-XTZNXHDOSA-N 352.692 5.228 0 1 FKAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc(-c2ccc(C)o2)cc1 963271899 XBEXNLLEXVGYHC-OAQYLSRUSA-N 353.849 5.152 0 1 FKAF N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2ccc3ccccc3c2)cs1 61906241 YJPJVTRKGCGDJX-IBGZPJMESA-N 352.409 5.290 0 3 FKAF O=C(NCc1ccc(Cl)cc1Cl)Nc1cccc2ccc(O)cc12 13589064 OJGHSCDHTGTBNJ-UHFFFAOYSA-N 361.228 5.174 0 1 FKAF O=C(O)c1cccc(OCCCCCC2c3ccccc3-c3ccccc32)c1 13741283 QOFXKYWGHUQTQT-UHFFFAOYSA-N 372.464 6.137 0 1 FKAF CSCCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947029 NXBZLFOYWHWZLN-UDKICSLYSA-N 358.547 5.131 0 1 FKAF CCOc1nc(C(Cl)(Cl)Cl)c(Cl)c(OCC)c1Cl 26020318 ZSVHCOLEAHZYRG-UHFFFAOYSA-N 353.460 5.013 0 1 FKAF CN(CCCC=C(c1ccccc1)c1ccccc1)CCc1ccccc1 26284975 KCRWYAATYQOHFW-UHFFFAOYSA-N 355.525 6.073 0 1 FKAF CC(C)C[C@@H]1CN2C(=NC[C@H]2C2CCCCC2)N1CC[C@H]1C[C@H]2CC[C@@H]1C2 27201609 SGIBUXSDRUUCRC-VTSJOCERSA-N 371.613 5.164 0 1 FKAF Cc1c(-c2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)O 29324090 ISWBSVNHAAVAOL-UHFFFAOYSA-N 357.384 5.715 0 1 FKAF O=C(c1cn(CC2CCOCC2)c2ccccc12)[C@H]1CC12CCCCC2 45260228 UFZQKWQOEXXMRC-HXUWFJFHSA-N 351.490 5.221 0 1 FKAF COc1cc(/C=C/C=C/C=C/C=C/c2cccc(Cl)c2)oc(=O)c1C 64503926 DRVWYFHJQMWRQV-QGYGCVTPSA-N 354.833 5.449 0 1 FKAF COc1ccc(Cl)cc1-c1cc(NC[C@@H](C)c2ccccc2)ncn1 82161300 QCKOPYGKZYYLAN-CQSZACIVSA-N 353.853 5.021 0 1 FKAF CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCC3CC3)ncnc21 82180045 YYPJURYQXBWBTH-ZDUSSCGKSA-N 369.900 5.015 0 1 FKAF O=C(CCCCCc1ccc(-c2ccccc2)cc1)OC[C@H]1CCCCO1 84604414 UTZKLMVZTMLDLN-HSZRJFAPSA-N 366.501 5.569 0 1 FKAF CC1(C)CC2=Nc3cc4c(cc3[C@@H](c3cccc(F)c3)C2=C(O)C1)OCO4 104100700 KLPZDQWQZPGPAM-HXUWFJFHSA-N 365.404 5.405 0 1 FKAF Cc1nc(Cl)n(-c2ccc(Cl)cc2)c1-c1c(F)ccc(F)c1F 115171167 HJHJAZVCYOWFGD-UHFFFAOYSA-N 357.162 5.572 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](OC(C)=O)[C@H](C)NC(C)=O 147099274 HQDNKZPSRKEKML-AMDVFJPASA-N 361.526 5.028 0 1 FKAF O=N[C@@H](c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl 169689426 MPBLXLNMZFKGLF-NSHDSACASA-N 369.557 5.916 0 1 FKAF Cc1ccc(F)cc1ONc1ccc([C@H]2CC[C@@H](N3CCC[C@@H]3C)C2)cc1 221759387 AHMNSAFIBBXPBS-LQBOVUBWSA-N 368.496 5.660 0 1 FKAF CC/C=C\C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CCCCCC(=O)OC 238734721 ASDVBLDKFHDZRJ-VCNSIJDNSA-N 360.538 5.832 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)CC1 586880059 KPJGESWOMHDACS-SHTZXODSSA-N 368.912 6.137 0 1 FKAF Fc1c(Br)cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1F 586884134 OAZVEGVUEKXPIN-UKFADQEDSA-N 367.237 5.071 0 1 FKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cccnc2[nH]1 586982823 QLHBOILFKLLWER-AWEZNQCLSA-N 358.283 5.093 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4c(C)ccc(C)c4[nH]3)cc2)n1 587020670 CVNXAWBMDPMDLX-UHFFFAOYSA-N 365.527 5.904 0 1 FKAF COc1cccc(F)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104546 YKERSRQIBXCJGO-UHFFFAOYSA-N 355.368 5.261 0 1 FKAF Fc1cc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2cc1Cl 587149299 KUTOSKHXVHIEEM-LJQANCHMSA-N 369.802 5.696 0 1 FKAF Fc1ccc(/C=C\c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(F)c1 587149634 OESXDAPBNVEERS-RQOWECAXSA-N 358.697 5.684 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(Cl)s1)CC2=O 587493908 IWQOQIRJAFUUCI-GOSISDBHSA-N 350.867 5.330 0 1 FKAF C[C@]1(c2c[nH]c3cc(Cl)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587496264 AVUQNJVVJUTIQE-JOCHJYFZSA-N 365.860 5.581 0 1 FKAF Nc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587511268 OLJXJIXNDLYDJK-JOCHJYFZSA-N 359.425 5.114 0 1 FKAF CCCc1ccc(OC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524846 NFMCGBHXKQJXFT-JOCHJYFZSA-N 350.458 5.233 0 1 FKAF Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587604202 VCLJUTKVRCFNJX-ZJSXRUAMSA-N 374.436 5.194 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C[C@@H]1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604320 SQDPVDHSIPSITM-JPUQQOQSSA-N 366.457 5.185 0 1 FKAF Cc1cc(C)n(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 587628582 VSLKZJGOJGFUBX-UHFFFAOYSA-N 361.289 5.316 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccccc3Cl)c2c1 587641310 MKSFMQOBAQDFDC-LBPRGKRZSA-N 369.848 5.352 0 1 FKAF CC[C@]1(CCCC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814534 TXTSYLJAVNEWLI-SCLBCKFNSA-N 356.323 5.554 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C)CCCCCC2)N1 587821962 YXOKSGASFKTFCR-YVEFUNNKSA-N 354.307 5.524 0 1 FKAF Cc1ccc([C@H](C)C[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587826208 DJHSOYOOAZIRKJ-CZIZLABSSA-N 366.274 5.259 0 1 FKAF CCC[C@H](C)[C@@]1(C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961781330 JAMXVTQGUOYEHO-HJPURHCSSA-N 372.553 5.489 0 1 FKAF Nc1ncc(-c2ccc(F)cc2F)cc1-c1cccc(C(F)(F)F)c1 1857583387 DTHMWMMJSGUAPH-UHFFFAOYSA-N 350.290 5.295 0 1 FKAF CC1=CCCC(C)(C)[C@@H]1Cc1c(O)cc(C=Cc2ccc(O)cc2)cc1O 2356543527 PFXULLDGLDNOOD-OAQYLSRUSA-N 364.485 5.899 0 1 FKAF Clc1cccc(-c2nc3c4ccccc4ccn3c2CC2CCCCC2)c1 95603768 MZKQVCSSBDEKFU-UHFFFAOYSA-N 374.915 6.931 0 3 FKAF c1ccc(NCCN2CCC3(CC2)c2ccccc2Oc2ccccc23)cc1 3797433 SJGPHXHVUCQQHN-UHFFFAOYSA-N 370.496 5.286 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(C)CCO 13760069 DZOXWGMUPHVUCW-ZKWNWVNESA-N 361.570 5.583 0 1 FKAF Cc1cc(CCCOc2c(C)cc(-c3ccc(F)cc3F)cc2C)on1 28711029 QRQCOTRQHQTOKH-UHFFFAOYSA-N 357.400 5.557 0 1 FKAF CCN(CC)CCCCCCCCCCCCCCCCN(CC)CC 28865208 NJNMGKQNGHSWBR-UHFFFAOYSA-N 368.694 7.131 0 1 FKAF Cc1ccccc1-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1 36124569 APPQMWKQFRWSJQ-UHFFFAOYSA-N 352.455 5.595 0 1 FKAF c1ccc(C2=N[C@H](c3cccs3)C(N3CCCC3)=Nc3ccccc32)cc1 53175234 YWXNSZGNQAQTDK-JOCHJYFZSA-N 371.509 5.466 0 1 FKAF COc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1OC 66076908 XBZUZTJAMLAOFJ-UHFFFAOYSA-N 362.454 5.724 0 1 FKAF CCCCCCCCCCCCCCCc1cccc(OCC(=O)O)c1 95860491 UESKGTSLDNVZTD-UHFFFAOYSA-N 362.554 6.784 0 1 FKAF biogenic Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Cl)ncc3[nH]2)c1 586879520 SRTVFGSDUKTWNP-UHFFFAOYSA-N 361.832 5.126 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc1 586881462 MFLVGBSHVABJTA-UHFFFAOYSA-N 364.436 6.529 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586883382 IXZZRZZVWIEFIC-DOCQIZIDSA-N 356.469 5.262 0 1 FKAF Clc1nccc(-c2nc3cc4ccccc4cc3[nH]2)c1Br 586979657 SYYJHVMOWWQGBE-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF Cc1ccc(CCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586991104 IINRZOLNQVSJRK-UHFFFAOYSA-N 365.432 5.245 0 1 FKAF COc1ccc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)cc1 586993605 YKEBWCWLRBSUPK-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF Cc1cncc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 587015944 ZPJILBVIXGYZQI-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF CCc1ccc(-c2nc(-c3nc4ccc(SC)cc4[nH]3)cs2)cc1 587016109 PXGTWRNKVCYJPF-UHFFFAOYSA-N 351.500 5.638 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063210 IGTGSCGRBDJQSC-UHFFFAOYSA-N 362.860 6.079 0 1 FKAF CCOc1ccc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587105803 FHSNVAPWPROLQR-UHFFFAOYSA-N 367.404 5.218 0 1 FKAF Fc1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587148524 BLWXWPOLUXWPEF-IBGZPJMESA-N 354.331 5.149 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](OC)CCC3)c1 587364828 DYVVIJPLBSQKID-LJQANCHMSA-N 359.425 5.680 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](OC)CC3)c1 587366064 PZBZUJZMOWLLLF-INIZCTEOSA-N 359.425 5.160 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](CC(=O)O)CC3)c1 587366911 ROYIJNKCQIGXOG-AWEZNQCLSA-N 373.408 5.161 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C(C)(C)C)C3)c1 587367415 PQEWRIGPQNEPLN-GOSISDBHSA-N 357.453 6.342 0 1 FKAF Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587378730 WHKIJYZZRJOYGT-PZJWPPBQSA-N 368.429 5.176 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1Nc1ccccc1)CC2=O 587468303 DZRYLDWGEKRNEY-JTHBVZDNSA-N 365.473 5.103 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H]1C[C@@H]3C=C[C@H]1C3)CC2=O 587488348 IYNWSTIHFCOVGH-MABITJRSSA-N 374.480 5.418 0 1 FKAF CCCC[C@H]1Cc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587528152 YMDQSGADDCUGKA-UQBPGWFLSA-N 360.497 5.789 0 1 FKAF O=C1C[C@H](c2ccc(COc3ccccc3)o2)Oc2c1ccc1c2CCCC1 587533242 PBGCGYMJIFYDMY-HSZRJFAPSA-N 374.436 5.444 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)Nc1cccc(Cl)c1C 587628948 WFHLRTIDUWZNIJ-UHFFFAOYSA-N 351.208 5.483 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc3c(cc2[nH]1)OCCCO3 587950430 BGAPHNSNYIGUNE-AWEZNQCLSA-N 360.413 5.017 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587959587 PTCGRDPMOGNAII-UHFFFAOYSA-N 367.279 6.436 0 1 FKAF c1ccc2c(c1)Sc1cccnc1N2CCCCCCN1CCCCC1 653707196 ZOSPTFWMMQSWDG-UHFFFAOYSA-N 367.562 5.731 0 1 FKAF O=C(CCCC/C=C/c1ccc(OCc2ccccc2)cc1)N1CCCC1 1857595019 CREDVHFXIBRNIV-ONNFQVAWSA-N 363.501 5.462 0 1 FKAF COCOc1ccccc1[C@H]1C=C(CC/C=C(\C)CCC=C(C)C)C(=O)O1 1857647125 OUAIPWIQMRYJLC-OJHVLRHSSA-N 370.489 5.667 0 1 FKAF Cc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCCC2)cc1 59955264 IOKJROFMMRNCJR-GOSISDBHSA-N 363.288 5.077 0 3 FKAF COc1cc([C@@H](O)c2nc(-c3csc4ccccc34)cs2)ccc1F 61930871 WJSAFJXWJYBJRI-GOSISDBHSA-N 371.458 5.254 0 3 FKAF CCCC[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3ccc(F)cc3)C2)[C@H]2CCCCN12 203468285 OCGIGFZFQAJICT-YNUHATHGSA-N 374.500 5.196 0 3 FKAF Clc1cccc2[n+]1[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@H]2c2ccccc21 27109104 RLTTTWDHHVWAAZ-IRLDBZIGSA-N 374.847 5.238 0 1 FKAF C1=C(SCCNCCc2ccccc2)c2ccccc2Oc2ccccc21 27555001 UZLUTMRPGDJVCT-UHFFFAOYSA-N 373.521 5.856 0 1 FKAF Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(CCc2ccccc2)C3)cc1 27769509 AQAILNLSGKBOQO-UHFFFAOYSA-N 374.434 5.467 0 1 FKAF c1ccc(CCCN[C@H]2CCc3cccc(OCc4ccccc4)c3C2)cc1 28763272 MQCWBUREANIKNT-DEOSSOPVSA-N 371.524 5.345 0 1 FKAF CC1(C)CN=C(CCCCCCCCCCCCC2=NCC(C)(C)N2)N1 28865501 BPGQWKJRZPKTFV-UHFFFAOYSA-N 362.606 5.228 0 1 FKAF Cc1ccc2oc(-c3cc(NC(=O)c4ccccc4)ccc3Cl)nc2c1 29239852 QCLVMRJVDQWWPT-UHFFFAOYSA-N 362.816 5.709 0 1 FKAF C[C@@H](/C=C/C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820874 PHWBNSIZNJXWFB-IYKZYEQMSA-N 372.549 5.203 0 1 FKAF FC(F)(F)c1cccc(-c2nc3c(s2)CN(C2CCCC2)CC3)c1 45289285 CURFELRMJIZYRA-UHFFFAOYSA-N 352.425 5.130 0 1 FKAF O=c1c(-c2ccc(O)cc2)coc2cccc(OCC3CCCCC3)c12 49803819 ZBPRFMSQYTURQA-UHFFFAOYSA-N 350.414 5.125 0 1 FKAF CN(c1ccccc1)[C@@H](c1ccc(Cl)cc1)c1cn(C)c2ccccc12 71340974 KQPWPJQDWZIGMG-QHCPKHFHSA-N 360.888 6.058 0 1 FKAF CCc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2ccccc2F)s1 82175312 UFJKZOXWJAJSFW-UHFFFAOYSA-N 370.497 5.061 0 1 FKAF CC[C@@H](C)Cn1c(C(C)C)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185205 ZDMWUDDKFAWZIL-CQSZACIVSA-N 371.916 5.261 0 1 FKAF CC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(C)c(C)cc3C)ccnc21 84688049 RYKYKDNADHUDIU-FQEVSTJZSA-N 361.489 5.053 0 1 FKAF CC/C=C\CC[C@H](O)C/C(C)=C(/C)CCCCCCCCCC(=O)O 85617267 XTJZWXWDOCJQTN-ZHJMRVRYSA-N 352.559 6.416 0 1 FKAF in-vitro O=C(O)c1cc(C2CC2)ccc1Nc1cnc(C2CC2)c(-c2ccccc2)c1 113898696 DELRAIAWQPRYNC-UHFFFAOYSA-N 370.452 5.945 0 1 FKAF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 118913028 FLRSLUQBFCJCGO-BIBIXIOVSA-N 362.554 5.223 0 1 FKAF biogenic Oc1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1 143053611 ASBVUJOUCCSWLW-UHFFFAOYSA-N 352.397 5.227 0 1 FKAF Cc1ccccc1C(=O)Nc1ccc([C@H]2CC[C@H](N3CCC[C@@H]3C)C2)cc1 147079731 VNNYIOGBDPHRBQ-VCOUNFBDSA-N 362.517 5.368 0 1 FKAF CN(C)CCC/N=c1\cc(-c2ccccc2)sc2ccc(Cl)cc12 169316289 PXVVTGYAEYPBLA-RELWKKBWSA-N 356.922 5.074 0 1 FKAF CCCCN(CCCC)C[C@H](O)c1cnc2cc(Cl)ccc2c1Cl 169338258 QMTJOIIBZOETTJ-SFHVURJKSA-N 369.336 5.477 0 1 FKAF C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc2ccccc2c1 253917911 RBOGTOKHHDCLPU-UWCPCEDSSA-N 367.492 5.752 0 1 FKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(C)c(C)ccc3[nH]2)cc1 586880247 WCOMMOAWCYMUDE-UHFFFAOYSA-N 356.425 5.520 0 1 FKAF Cc1cc(Cc2nc3cc(Cl)c(F)cc3[nH]2)ccc1Br 586977547 QQUIJVNXWVKUQY-UHFFFAOYSA-N 353.622 5.017 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc4ccccc34)nc3ccc(O)c1c23 586991152 KDIRZYCQJGDDOZ-UHFFFAOYSA-N 373.411 5.972 0 1 FKAF Cc1c(-c2ccc(F)cc2O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586997390 XLXRDFBKCKHONE-UHFFFAOYSA-N 369.395 5.575 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4C(C)C)-c1ccccc1C2=O 587102157 YXDOSWKMXPLHFD-SFHVURJKSA-N 355.437 5.010 0 1 FKAF Fc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c(F)c1F 587122910 AERQGTYPPCULAX-UTCJRWHESA-N 374.309 5.763 0 1 FKAF Brc1cccc2cc(-c3cc4c5c(cccc5n3)CC4)oc12 587209285 MYEDQKSISBQIRP-UHFFFAOYSA-N 350.215 5.509 0 1 FKAF CC(C)Oc1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587224161 GCQQOJMOEDHNQG-GOSISDBHSA-N 373.497 5.106 0 1 FKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(Cl)cnc2[nH]1 587247412 LFTGNFUQFJLEOQ-UHFFFAOYSA-N 364.836 5.026 0 1 FKAF O=C1C[C@](c2ccccc2)([C@@H]2C[C@@H]3C=C[C@H]2C3)Oc2c1ccc1c2CCCC1 587522565 FURCJCRVRVBGBK-GSBPPJQOSA-N 370.492 5.638 0 1 FKAF O=Nc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626027 PCARYZIZVQFRFL-UHFFFAOYSA-N 358.241 6.270 0 1 FKAF COc1cccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)F)c1 587629052 DSEZVOHAFLVBMH-UHFFFAOYSA-N 353.727 5.084 0 1 FKAF Cc1cc(Cl)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587699612 SWHSYUJRDVEXLU-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc(SC)cc4[nH]3)c2)cc1O 587785480 AFFNBPSOHUTXBF-UHFFFAOYSA-N 362.454 5.333 0 1 FKAF C[C@H]1C[C@@H](C)C[C@H]([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 587813399 CAYLZQZLCLDVLL-GFKBIBDCSA-N 368.334 5.410 0 1 FKAF CC(C)=CC[C@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587816163 UYAMSTUNAYSCPK-BFUOFWGJSA-N 366.318 5.474 0 1 FKAF CC(C)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587818502 IBDCDOYEIYXDSQ-BLVKFPJESA-N 362.286 5.335 0 1 FKAF CCCCC(CCCC)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587819303 LQNCAHBEKZBGJN-ORAYPTAESA-N 370.350 6.160 0 1 FKAF C/C=C(\c1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821763 XNAPQPYFVBHXIL-XABSXQJUSA-N 360.270 5.267 0 1 FKAF Cc1cc(OC(C)(C)C)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O 587945265 LCFKUOCUMCXNAE-SFHVURJKSA-N 371.452 5.634 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587950419 AZKJWOKVQXKWRP-LBPRGKRZSA-N 372.346 5.755 0 1 FKAF Cc1nc(N[C@@H](C)c2ccc(F)cc2)cc(-c2ccc3occ(C)c3c2)n1 653773178 HQWAPNPGUNOIEN-AWEZNQCLSA-N 361.420 5.819 0 1 FKAF Cc1ccc(-c2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)o1 1857585258 IGDUXLNECZVZET-UHFFFAOYSA-N 356.347 5.672 0 1 FKAF N=c1[nH]c(-c2cc(Cl)cc(Cl)c2)c(-c2ccc3ncccc3n2)s1 1857759788 WWPHAVWTCUMSKD-UHFFFAOYSA-N 373.268 5.140 0 1 FKAF CCCCCc1cc(O)cc(C[C@@H]2CCC[C@H]([C@@]3(C)C=CC[C@H](C)C3)C2)c1 2356371574 LVMUEERNEAZUSV-COLUHYSYSA-N 368.605 7.466 0 1 FKAF CCC=C[C@H](CC)CC(=C[C@](O)(CC)C[C@](O)(C=CC(=O)O)CC)CC 2356399964 LSVMTGUPGAJFCN-VLCRHTCISA-N 366.542 5.018 0 1 FKAF CC(=CCc1c[nH]c2ccccc12)CCC=C(C)CC[C@H](O)C(C)(C)O 2356546869 UETBQCBTOMNFHW-QFIPXVFZSA-N 355.522 5.295 0 1 FKAF CCCOc1ccc(-c2c[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1 2382223002 LJFNHEHVCCKANW-UHFFFAOYSA-N 367.445 5.163 0 1 FKAF CN(C)c1ccc(-c2cc3ncccc3c(NCC3CCCCC3)n2)cc1 13489191 QRQBVNPQMPOCDL-UHFFFAOYSA-N 360.505 5.355 0 1 FKAF Nc1ccccc1Nc1ccc(C(=O)c2ccccc2-c2ccccc2)cc1 13531292 AWDLKMAFJRWGKY-UHFFFAOYSA-N 364.448 5.910 0 1 FKAF COc1c(O)c(C(C)=O)c(OCc2ccc(C(C)C)cc2)c2ccoc12 13682308 AIUFXCOEFKHMCS-UHFFFAOYSA-N 354.402 5.052 0 1 FKAF O=C(CSC(=S)Sc1ccccc1)c1ccc(Cl)c(Cl)c1 28709969 UANAWHVTKHRTNO-UHFFFAOYSA-N 373.351 5.987 0 1 FKAF Cc1ccc(S(=O)(=O)Oc2c3ccccc3cc3sccc23)cc1 28826832 SCGOIPCNGLMDAY-UHFFFAOYSA-N 354.452 5.131 0 1 FKAF O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1 66078783 ZWJCADAIXONELP-UHFFFAOYSA-N 368.786 5.211 0 1 FKAF CCCCc1c(C)nc2ccc(OC)cc2c1SCCc1ccccc1 84687963 AVBKBWLOBUATHJ-UHFFFAOYSA-N 365.542 6.229 0 1 FKAF CCOc1cccc(-c2ncc(Nc3ccc(C)cc3C(=O)O)cc2C)c1 96173346 OAGAUBSCXAYPGO-UHFFFAOYSA-N 362.429 5.206 0 1 FKAF Cc1ccc2nc3c(cc2c1)C=NN=C(Nc1ccc(Cl)cc1)S3 98084474 ZKHICRAVOODWCU-UHFFFAOYSA-N 352.850 5.104 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586898804 PJBORHRJCPRCEX-UHFFFAOYSA-N 358.294 5.159 0 1 FKAF Cc1ccc(-n2ccnc2SCc2nc3cc(C)cc(F)c3[nH]2)c(C)c1 586967196 ZFYPFZSBHUEQRT-UHFFFAOYSA-N 366.465 5.105 0 1 FKAF COc1cc(OC)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587049531 MLEBXTSEWLITBJ-QWRGUYRKSA-N 363.244 5.158 0 1 FKAF COc1cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1Cl 587070767 WTJOLRDMIPFNDA-SNVBAGLBSA-N 363.244 5.255 0 1 FKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(C)c(Br)ccc3[nH]2)n1 587080539 QGJQLRWKLLISJQ-MRVPVSSYSA-N 367.678 5.122 0 1 FKAF Cc1c(Cl)ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587091796 OWPOOZVWPYAGCU-UHFFFAOYSA-N 357.788 5.241 0 1 FKAF O=C1c2ccccc2-c2cc(/C=C/N3CCCCCC3)nc3cccc1c23 587105571 DLZDMEWXFBWJEQ-NTCAYCPXSA-N 354.453 5.293 0 1 FKAF Fc1cc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)ccc1-c1ccccc1 587145676 NMHPJLPYWCVZEQ-UHFFFAOYSA-N 372.230 5.662 0 1 FKAF Fc1ccc(/C=C(\c2nc3ccc4ncccc4c3[nH]2)c2cccs2)cc1 587164774 WRKZQACXLDZTMQ-LGMDPLHJSA-N 371.440 5.901 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C3CCCC3)s1)CC2=O 587495172 PQLYPMXUUZUIJN-GOSISDBHSA-N 356.487 5.770 0 1 FKAF CC[C@]1(c2ccc([C@H](C)OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526747 ZRQQBJJGLJSUMD-UPCLLVRISA-N 364.485 5.544 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2C1CCCC1 587603609 OCHYSQHQFFBYNX-DHJUGAMNSA-N 364.441 5.083 0 1 FKAF COC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc(F)c(Cl)c12 587629549 BEKAVNKJSOVUJP-UHFFFAOYSA-N 371.717 5.433 0 1 FKAF CCOC(=O)c1c(C(Cl)(Cl)Cl)[nH]c2ccc([C@@H](C)CC)cc12 587638689 IRNTXCIWYDHWCL-VIFPVBQESA-N 362.684 5.685 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccccc3o2)N1 587828406 NHAOPBVGLXQTII-JEOXALJRSA-N 374.253 5.132 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cccs1 587867410 YPPHCZGYNDXTIN-UHFFFAOYSA-N 352.381 5.077 0 1 FKAF COc1ccc(OC(C)(C)C)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587946353 WCVJZSDZMQTSHS-UHFFFAOYSA-N 373.399 5.734 0 1 FKAF CCc1ccc(Oc2ccc([C@@H]3NCCc4c3sc(C)c4C)cc2)cc1 963022331 POOGTCLXLZSVOC-QFIPXVFZSA-N 363.526 5.955 0 1 FKAF O=c1oc2ccccc2c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CCCO[C@@H]21 1772597129 LIBSONPORXATQY-XFQXTVEOSA-N 367.832 5.081 0 1 FKAF Cc1ccc(Nc2nc3ccccc3nc2Nc2ccc(C)c(O)c2)cc1O 1857534931 KBZIKXIOZQEBSN-UHFFFAOYSA-N 372.428 5.145 0 1 FKAF CCCCCCN1C(=O)C(O)=C(c2ccc(C(F)(F)F)cc2)[C@H]1CC 1857651120 URPFBWOLCJIUJR-OAHLLOKOSA-N 355.400 5.176 0 1 FKAF CCC=CCC=CC[C@H](C=CC=CCC=CCCCC(=O)OC)OC(C)=O 2356471209 RFNFBBJIGIIGSS-JOCHJYFZSA-N 374.521 5.623 0 1 FKAF CC(=O)OCC(C)=CCC[C@]1(C)[C@@H](C(=O)O)CC2=CCCC(C)(C)[C@@]21C 2356635869 MZJHIEFGBFMJBU-STZQEDGTSA-N 362.510 5.140 0 1 FKAF CC(=O)Nc1ccc(O)cc1C(=O)OCCCCCCCCCC(C)C 2356791192 ILSKFXCVCWVUQZ-UHFFFAOYSA-N 363.498 5.284 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]3CCc4cocc4[C@]3(C)C(=O)C[C@@H]12 2356795508 MDCITCVMDVUGER-SMOIBXKESA-N 368.561 6.321 0 1 FKAF O[C@@H](c1ccc(F)c(F)c1)c1nc(-c2csc3ccccc23)cs1 61896278 MPZPKRQUQQUDSK-KRWDZBQOSA-N 359.422 5.385 0 3 FKAF CCN(CC)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21 13560899 FIJOQRLYVALYIU-OXJNMPFZSA-N 364.316 5.921 0 1 FKAF Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1C 13755796 XUKVJQAMNLZRMM-UHFFFAOYSA-N 372.436 5.319 0 1 FKAF CC(=O)OC(C)(C)[C@H]1CC/C(C)=C/CC/C(C)=C/CCC2=C[C@@H]1OC2=O 14445679 JRHSHBMAWLBQTD-IOGCSYSISA-N 360.494 5.043 0 1 FKAF CC1(C)C2=CC[C@@H]3[C@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)Cc2cnoc21 28008077 AXLOCHLTNQDFFS-BGMMYUBZSA-N 355.522 5.038 0 1 FKAF COc1ccccc1[C@@]1(c2ccc(C(C)(C)C)cc2)C(=O)Nc2ccccc21 29545482 ULMQLXLPBAZIKB-VWLOTQADSA-N 371.480 5.279 0 1 FKAF CC[C@@H](NCc1coc(-c2ccccc2Br)n1)c1ccccc1 72186203 WMKSOCJUYHGIBT-GOSISDBHSA-N 371.278 5.345 0 1 FKAF CCCCCn1c(CCC)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185229 KVRKKCZTJQHECE-UHFFFAOYSA-N 371.916 5.235 0 1 FKAF S=c1[nH]c2c(c(=S)[nH]1)[C@@H](c1ccccc1)c1ccc3ccccc3c1O2 103290837 XNVMBVJNYWEIFC-INIZCTEOSA-N 374.490 6.241 0 1 FKAF Cc1ccc2c(c1)/N=C\c1ccccc1/C=N/c1cc(C)ccc1OCCO2 169358196 FOTZKQHJDWCLEY-WFOJNGAISA-N 370.452 5.576 0 1 FKAF Cc1ccc([C@H](C)Nc2cc(-c3ccc4ccn(C)c4c3)nc(C)n2)cc1 205835267 LJWWYIBQYPJYTC-INIZCTEOSA-N 356.473 5.425 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c(C)s2)cc1 587012530 BQMHOUVEVDKFDY-UHFFFAOYSA-N 373.403 5.989 0 1 FKAF Cc1cc(Br)c2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2c1 587098889 YOANVNBRQKFWJU-UHFFFAOYSA-N 373.147 5.459 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1ccccc1CCC4)-c1ccccc1C2=O 587099943 ABBSKAWQUFVCJA-UHFFFAOYSA-N 361.444 5.910 0 1 FKAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnn1C(C)(C)C 587105322 YLFXYGPMSQRGMU-UHFFFAOYSA-N 367.452 5.373 0 1 FKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1OC 587106660 KISKKPPADUDODV-UHFFFAOYSA-N 367.404 5.130 0 1 FKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cnccc4[nH]3)cc2F)c1 587142775 CSRPSPLKBGKVKO-UHFFFAOYSA-N 353.784 5.093 0 1 FKAF Cc1ccc2c(ccc3nc([C@@H](C)CSc4ccc(F)cc4)[nH]c32)n1 587172167 YEFNRSXMZVWAFR-LBPRGKRZSA-N 351.450 5.454 0 1 FKAF Cc1nc(Cl)c(Br)cc1-c1cc2c3c(cccc3n1)CC2 587207083 AYRYRSUTNMOVGC-UHFFFAOYSA-N 359.654 5.120 0 1 FKAF COC(=O)CCCCCCCCC(=O)c1coc2ccc(Cl)cc12 587276788 WCDCPUUGWYZITD-UHFFFAOYSA-N 350.842 5.563 0 1 FKAF CC[C@H]1C(=O)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587366861 NRLZQVMZLQTVIO-HNNXBMFYSA-N 357.409 5.275 0 1 FKAF CCCc1c(O)ccc2c1O[C@H]([C@@H](C)CC[C@@H](C)CC(C)(C)C)CC2=O 587490654 SXFKNFBMHYHDGX-XFQAVAEZSA-N 360.538 6.167 0 1 FKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br 587497985 DVKGQIHZGOUCLL-LJQANCHMSA-N 371.274 5.343 0 1 FKAF O=C1C[C@H](c2cccc(OC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587502278 DKVDWYRFWDTEGJ-GOSISDBHSA-N 362.347 5.171 0 1 FKAF O=C1C[C@](c2ccccc2F)(C2CCCC2)Oc2c1ccc1c2CCCC1 587508592 ZJELXBXGNIDZKL-XMMPIXPASA-N 364.460 5.755 0 1 FKAF C[C@@]1(CCc2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587523934 IXFKSNDAZCRVRA-XMMPIXPASA-N 359.469 5.403 0 1 FKAF O=C(c1ccc(Br)cc1)c1c(C(F)F)[nH]c2cccc(F)c12 587633701 JQNKACWQXMMVDF-UHFFFAOYSA-N 368.152 5.238 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccccc2F)N1 587731752 ZLOXLLRFCMWYBA-ANPMPFNFSA-N 364.233 5.016 0 1 FKAF CC(C)=CCC/C(C)=C/c1nc2cccc(I)c2[nH]1 587969176 WCHFDZSWQRWKHC-ZRDIBKRKSA-N 366.246 5.317 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3Cl)c3oc4ccccc4c3n2)cc1 1857628104 VLAJHNHFJBBGPH-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF CCCCCc1cc(OC(C)=O)c2c(c1)O[C@H]1C[C@H](C)CC=C1C2(C)C 2356454700 UMXVDHZQRJOECL-BEFAXECRSA-N 356.506 5.740 0 1 FKAF C[C@@H]1[C@]2(CC[C@@H](C)CO2)O[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356596868 UESYKCZNUZXPPR-UZCBTQAISA-N 374.565 5.366 0 1 FKAF c1ccc(Cn2c(-c3ccc(-c4ccccc4)cc3)cc3ccccc32)cc1 1653616 CESKRKVVBNNSBG-UHFFFAOYSA-N 359.472 7.024 0 1 FKAF COc1ccc(-c2nc(-c3ccccc3)c(Nc3c(C)cccc3C)o2)cc1 8690123 KWGGAFJINKJGIC-UHFFFAOYSA-N 370.452 6.378 0 1 FKAF Cc1cc2c(cc1Sc1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 13758055 MJSSDXRYTKYCRW-UHFFFAOYSA-N 354.515 6.193 0 1 FKAF CCCCCCSc1cc(Cl)c(C(=O)CCN2C[C@H]2C)cc1Cl 42920317 BOTHSWILLQNCAB-ILRUXTBWSA-N 374.377 5.943 0 1 FKAF COc1c(CC=C(C)C)c(O)cc(O)c1-c1oc2cc(O)ccc2c1C 58582767 OEIIVGQLDAYZNT-UHFFFAOYSA-N 354.402 5.042 0 1 FKAF biogenic Cn1s/c(=N/c2ccc(Nc3ccccc3)cc2)nc1-c1ccccc1 103167979 GMSBTHXFENRJHV-XTQSDGFTSA-N 358.470 5.125 0 1 FKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(OCC3CCCCC3)cc21 144771519 ODORILUBTAAJSV-HXUWFJFHSA-N 362.391 5.424 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(O)c3)cc(-c3ccc(O)cc3)n2)cc1 299831523 QLDJBMVPNFASEX-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF O=Cc1ccc(OCc2occc2-c2nc3cc(Cl)cc(F)c3[nH]2)cc1 586900337 GBCOBGIALINTTF-UHFFFAOYSA-N 370.767 5.007 0 1 FKAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 586907980 PJTQDQLOFAXTGM-CQSZACIVSA-N 374.465 5.295 0 1 FKAF Cc1nccc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc12 586974137 BVUOLIITCYOIES-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF CCc1ccc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1Br 586977944 SFFYSJOHYFCBQN-UHFFFAOYSA-N 357.295 5.852 0 1 FKAF Cc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2cc1C 587081675 TUYNHPALCOKUBK-UHFFFAOYSA-N 373.847 5.210 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CCCC[C@H]1CC4)-c1ccccc1C2=O 587100319 GGXBJWKNVHEJBN-JKSUJKDBSA-N 353.465 5.975 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)Cc1c(Cl)cccc1C3 587104953 ZLIOOZPUWHHIJQ-UHFFFAOYSA-N 367.835 5.595 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587114898 YWOWJWZNEULMKJ-VIFPVBQESA-N 373.205 6.235 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587153685 YQYMKHTWTUTJKT-UHFFFAOYSA-N 358.203 5.738 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](c3ccc(F)cc3)C1)CC2=O 587470124 DNWPZYAWABVZBS-QRQCRPRQSA-N 354.421 5.156 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC=C(c3ccc(F)cc3)CC1)CC2=O 587471194 JMKYHSOUUUFCPM-HSZRJFAPSA-N 366.432 5.455 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc([C@H](C)CC)cc1)CC2=O 587490208 SDKYYLWOAFSKHA-GYCJOSAFSA-N 366.501 6.129 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(SC(C)(C)C)cc1)CC2=O 587495114 ZSMOKMXDHLULNC-HXUWFJFHSA-N 370.514 5.942 0 1 FKAF COc1ccc2sc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587536692 ZDWYYWYDWRXDCZ-IBGZPJMESA-N 364.466 5.495 0 1 FKAF C[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587603308 LUPUKIZUTYXMGY-SJODRWRQSA-N 372.420 5.147 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc4ccccc4c3)c2c1 587642995 QNMYFASILSGQJB-OAHLLOKOSA-N 356.469 6.395 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccccc2F)N1 587725044 BICDAIZLEYQCIQ-AEJRJEJWSA-N 364.233 5.016 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cc(OC)cc(OC)c3[nH]2)c1 587780739 ZXZLPEMKVIAQRU-UHFFFAOYSA-N 374.440 5.313 0 1 FKAF CC(C)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587809910 BMZASERWFLFFSM-YJYMSZOUSA-N 362.286 5.022 0 1 FKAF CC[C@H](C)[C@@H]1CC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587817512 LJSHECPITLIYIR-NVAPZFDKSA-N 354.307 5.164 0 1 FKAF CCCC1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587817750 MVVWSQRFAQEIGM-WHENESEISA-N 354.307 5.308 0 1 FKAF CC1(C)CCC(C)(C)c2cc(Sc3ccc(CC(=O)O)cc3)ccc21 653723873 BTDWGEWFAMYFFS-UHFFFAOYSA-N 354.515 5.814 0 1 FKAF Cc1cc2c(cc1F)[C@](c1c(C)c(C)cc(C)c1C)(C(F)(F)F)NCC2 962295249 CVKCBKJWRXSIMR-FQEVSTJZSA-N 365.414 5.319 0 1 FKAF COc1cccc2cc3c(nc12)[C@@H](c1cc2cc(C)ccc2s1)NCC3 963039000 SVPKOYXEPCEXRZ-JOCHJYFZSA-N 360.482 5.002 0 1 FKAF COc1cccc(-c2ccc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cc2)c1 963096941 DZRADTJJNKESOH-DHLKQENFSA-N 373.471 5.611 0 1 FKAF C[C@@]1(CSc2ccc(Cl)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963103961 GNMXUZICCYHVBX-OXJNMPFZSA-N 361.913 5.507 0 1 FKAF C[C@]12CC[C@@H]3[C@@H]4CCC(F)(F)C[C@H]4CC[C@@]3(C)[C@@H]1CC=C2n1ccnc1 1772585526 SMDFRXBQPIYDDX-ZPMOIGASSA-N 360.492 6.012 0 1 FKAF COc1ccc2cc([C@@H](C)c3nnc(SC4CCCC4)o3)ccc2c1 1857770855 BFNPSMLIEHPAQY-CYBMUJFWSA-N 354.475 5.418 0 1 FKAF CC(=O)OC=C1CCC=C(C)C[C@H]2OC(=O)[C@H]1[C@H]2[C@@H](C)CCC=C(C)C 2356344720 DFKHRBLZEJCJLU-NASSWSRMSA-N 360.494 5.104 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@H]2[C@H]1CCC(=O)OC1 2356632724 PXOHOSHERMSUCD-NKAARRPJSA-N 358.566 5.989 0 1 FKAF CCCC1CCC2(CC1)CC[C@@H]2OC(=S)NCc1ccc(Cl)cc1 205704768 KZZFCRMIUSTMOI-VDUSKEEQSA-N 365.970 5.870 0 3 FKAF Clc1ccc(C2=C[C@@H](c3ccccc3)N3C(=N[C@H]4CCCC[C@@H]43)N2)cc1 5832805 UJRXKHRJJKJIQL-JBACZVJFSA-N 363.892 5.008 0 1 FKAF O[C@H](c1ccc(-c2ccccc2)cc1)C(F)(F)c1nc2ccccc2o1 6582660 LGWTVZUAPGUCEF-LJQANCHMSA-N 351.352 5.320 0 1 FKAF CCCCC[C@H]1CCc2c(cc3c(c2O)[C@@H]2CC(C)=CC[C@H]2C(C)(C)O3)C1 13914414 QZNJFXSEKJPBLV-IOMROCGXSA-N 368.561 6.688 0 1 FKAF Clc1ccc(/C(=C/n2cncn2)OC2CCCCCC2)c(Cl)c1 26268481 MCFUZENKBROVSI-YVLHZVERSA-N 352.265 5.280 0 1 FKAF CC1(C)C[C@H](NC(=S)Nc2ccc(Cl)cc2)c2cc(F)ccc2O1 38267341 GMBLMUZJVSLMTG-HNNXBMFYSA-N 364.873 5.068 0 1 FKAF COc1cc(C)nc2ccc(NC(=O)Nc3cccc4ccccc34)cc12 45195521 OQAKONPGJOJWEF-UHFFFAOYSA-N 357.413 5.349 0 1 FKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OCCCC)c(OC)c2)n1 72102011 MOVVIGNXILATMO-KRWDZBQOSA-N 374.525 5.588 0 1 FKAF Cc1cccc(Oc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 72179300 JAJSMVMKPPSBCO-UHFFFAOYSA-N 353.636 5.557 0 1 FKAF C[C@H]([C@@H](O)c1csc2ccccc12)N1CC=C(Cc2ccccc2)CC1 84652955 QVIAHGYFYZASCH-UZUQRXQVSA-N 363.526 5.198 0 1 FKAF C[C@@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(Cc3ccccc3)c2c1 95553077 ZZAOICGAGLQNDH-CQSZACIVSA-N 363.844 5.684 0 1 FKAF CC1(C)CCC[C@]2(C)Oc3cc(/C=C\c4ccc(O)cc4)cc(O)c3C[C@H]12 95919298 NVDNWXIJCXLGEI-WXTRPDSFSA-N 364.485 5.788 0 1 FKAF biogenic,in-vitro C[C@@H](NC(=O)[C@]1(C2CCCC2)CC1(Cl)Cl)c1ccc(Cl)cc1 103293192 FCBPAVBVTODMLA-BDJLRTHQSA-N 360.712 5.271 0 1 FKAF CCC[C@](C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O 163531795 OFBRRPLYYQOUFR-FQEVSTJZSA-N 352.540 5.723 0 1 FKAF CC[C@@H]1C(=O)N(C2CCN([C@@H]3CCCc4ccccc43)CC2)c2ccccc21 169341820 AJLIYNOOTFOYSN-NZQKXSOJSA-N 374.528 5.069 0 1 FKAF OCCCCCCCCCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 586894935 YWYIUXMBUSNGOI-UHFFFAOYSA-N 357.325 5.915 0 1 FKAF CCc1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586959840 MUKZJMQGRBYUND-MHZLTWQESA-N 374.509 5.164 0 1 FKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587051843 UJEQCQNVNLVXBC-UONOGXRCSA-N 357.284 6.020 0 1 FKAF CC(C)Oc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083143 IHTGTFXPDMALNP-UHFFFAOYSA-N 372.255 5.872 0 1 FKAF Fc1cncc(Cl)c1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 587177255 SFEGQDJMORRYOW-UHFFFAOYSA-N 369.852 5.492 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]3Cc1ccccc1 587208398 VJRJDTNJDZSRSA-QGZVFWFLSA-N 361.444 5.719 0 1 FKAF O=C(O)c1ccccc1-c1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587216008 YCKCUDVTMWKVNQ-UHFFFAOYSA-N 351.405 5.366 0 1 FKAF COc1cccc(-c2cc(-c3cncc(C)c3)nc3c2oc2ccccc23)c1 587362976 KMGJXQXPPYNLJA-UHFFFAOYSA-N 366.420 6.027 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]32)c1 587365232 FZKILTFMUUQZAT-HZVDNRATSA-N 367.448 6.267 0 1 FKAF CCN(c1ccccc1)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587386832 LMJDGSUKTJCDKB-HSZRJFAPSA-N 372.468 5.442 0 1 FKAF CCCCCc1ccc([C@]2(C(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402728 HCKCGHLSWVJHBP-XMMPIXPASA-N 365.517 5.827 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cc(O)cc1Cl)CC2=O 587462381 YTBFWEYCJBOKCU-INIZCTEOSA-N 367.228 5.064 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(C)C)c2ccccc21 587484541 SRBOUBYXKMYWPQ-WZONZLPQSA-N 350.458 5.349 0 1 FKAF C[C@@]1(c2cccc(Cl)c2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587506723 OJQQSYUCGUTGNR-FQEVSTJZSA-N 361.268 5.753 0 1 FKAF O=C1C[C@H](c2ccc3c4c(cccc24)CC3)Oc2c1ccc1c2CCCC1 587524133 KFXWFPJBVGRXKR-HSZRJFAPSA-N 354.449 5.524 0 1 FKAF CCOC(=O)Cc1[nH]c2ccc([C@H](C)CC)cc2c1NC(=O)OC(C)(C)C 587643170 RSPJUQVHIBCNIM-CYBMUJFWSA-N 374.481 5.134 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(Br)cc(F)c2[nH]1 587950281 AQQNQKSAAJHPCE-HCKVZZMMSA-N 369.278 5.511 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCOc3c(C)cc(C)cc32)N1 962947569 NUPAUWGKWAEDHO-BXKMTCNYSA-N 360.501 5.125 0 1 FKAF C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21C[C@@H]1CCC(=O)O 1772613187 INLPJNDFHSWGCE-UPKHHKTPSA-N 372.549 5.469 0 1 FKAF CCC(C)(C)c1ccc(OCCCCCCCN2CCC[C@H](C)C2)cc1 1857538484 FWWPKYOBCUXAGM-NRFANRHFSA-N 359.598 6.435 0 1 FKAF FC(F)(F)c1cc(Nc2ccccn2)c2cccc(C(F)(F)F)c2n1 1857552243 TUGJPPLPSQXAPE-UHFFFAOYSA-N 357.257 5.411 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2c(O)cccc2C3)cc1 1857557293 LMDBFMFLTIERDZ-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF Cc1c(-c2ccc(O)cc2)n(CCCCOc2ccccc2)c2ccccc12 1911570569 NGFVCNVVQUXKEW-UHFFFAOYSA-N 371.480 6.182 0 1 FKAF C[C@@H]1CCCCC(=CCl)C[C@H](C(C)(C)C)CC(=O)CC=CN(C)C1=O 2356381493 PEHOQRLZZGCHCP-AEFFLSMTSA-N 367.961 5.693 0 1 FKAF CC(C)=C[C@@H]1C[C@@](C)(C=Cc2cccc3c2NCC3)c2cc3[nH]ccc3cc21 2356468511 GKHRETADSMOCEN-QFQXNSOFSA-N 368.524 6.561 0 1 FKAF CN(C)C1(c2ccc(Cl)cc2)CCC(O)(CC[C@H]2CC=CCC2)CC1 27327799 CBNNVZGRXZKZQE-XTWGIRIWSA-N 361.957 5.539 0 1 FKAF O=C(O)CCCCCCCCCC=C(Br)Br 28385838 GXKMJMQDIBYOKU-UHFFFAOYSA-N 356.098 5.213 0 1 FKAF Cc1cccc(NC(=O)Cc2ccc(-c3csc4ccnc(N)c34)cc2)c1 28703818 GVEFXOFPHJTMJZ-UHFFFAOYSA-N 373.481 5.035 0 1 FKAF CCOC(=O)c1ccc(-c2nn(Cc3cccc(F)c3)c3ccccc23)cc1 29063130 BBRWUDSNYOKPGY-UHFFFAOYSA-N 374.415 5.067 0 1 FKAF CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccc(Cl)cc1 53313517 YYMAYABEGTVMRS-QGZVFWFLSA-N 367.663 5.344 0 1 FKAF Fc1ccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc23)cc1 72116388 WUKJLGQHTLXEKD-UHFFFAOYSA-N 351.331 5.458 0 1 FKAF CCCCNc1ncc(-c2ncc(CC)s2)c(-c2cccc(C)c2)n1 82167353 VKTPZWQESWEPTO-UHFFFAOYSA-N 352.507 5.350 0 1 FKAF OC1=C2C(=Nc3c(ccc4ncccc34)[C@H]2c2ccc3c(c2)OCO3)CCC1 104108646 SCGGBAAVMTYJEI-OAQYLSRUSA-N 370.408 5.178 0 1 FKAF OCc1ccccc1-c1cccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 586895350 XOUFZQSNUAMSAO-UHFFFAOYSA-N 370.239 5.091 0 1 FKAF FC(F)(F)c1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Cl 587017247 UHKXGPKSQOHVJA-GFCCVEGCSA-N 373.787 5.210 0 1 FKAF O=C1CCc2cc3nc([C@@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3cc2N1 587050613 PWPXQNZOGLVMKF-WDEREUQCSA-N 372.255 5.026 0 1 FKAF O=C1c2ccccc2-c2c(Cc3cnc4ccccc4c3)cnc3cccc1c23 587106749 MNQGFAIVUAXMOG-UHFFFAOYSA-N 372.427 5.585 0 1 FKAF CCOc1cc(/C=C/c2nc3ccc(F)c(F)c3[nH]2)ccc1OC(F)F 587131182 WASSPMWKUBMUAN-XBXARRHUSA-N 366.314 5.012 0 1 FKAF COc1cc(Cl)ccc1-c1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587208805 AVKUSNYZUUUBFB-UHFFFAOYSA-N 371.867 6.329 0 1 FKAF O=C(O)Cc1c(-c2ccc(-c3ccccc3)cc2)nc2cccc3c2c1CC3 587215737 UJMPABZRRCXVHF-UHFFFAOYSA-N 365.432 5.295 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)cc1 587241896 CZZFONDMNPNZRN-UHFFFAOYSA-N 373.309 5.236 0 1 FKAF CC(C)=CC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354637 OIOMGHYUGNNYDY-FYYLOGMGSA-N 366.432 5.395 0 1 FKAF COc1cccc(-c2cc(-c3cnn(C)c3C)nc3c2oc2ccccc23)c1 587364589 XZEPLGIDXRHDSN-UHFFFAOYSA-N 369.424 5.366 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(C)C[C@H]2CC3)c1 587367836 XQPRCQYRHYYDST-OYLFLEFRSA-N 355.437 5.880 0 1 FKAF CC[C@@]1(c2c(Cl)cccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587375319 LBJRLJMKNWQHKC-SFHVURJKSA-N 350.245 5.155 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1C)(C1CCC(C)CC1)O2 587406698 UFZVFCSGNDEIOU-KZVCKPSVSA-N 363.501 5.573 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccccc3cc1C=O)CC2=O 587479396 IEVUNVILXGBZEE-QFIPXVFZSA-N 360.409 5.017 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(OCC)cc1)CC2=O 587480099 NDNHJQGKIIPHLX-QFIPXVFZSA-N 354.446 5.014 0 1 FKAF COc1ccc2[nH]c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)c2c1 587525743 PDPCJHLHDHROCO-NRFANRHFSA-N 361.441 5.070 0 1 FKAF Fc1cccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccc(Cl)cc2)c1 587631006 UJYZUXXQVLSIFO-UHFFFAOYSA-N 374.217 7.087 0 1 FKAF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc([C@H](C)CC)cc23)cc1 587641668 ODKVGPFMXTYETE-CYBMUJFWSA-N 373.418 6.494 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(C(=O)Nc3cccnc3)c2c1 587643831 XPFOHNKEBNDMFE-MRXNPFEDSA-N 369.468 5.996 0 1 FKAF CCC[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587819117 GRIFHUIWEOYADL-WRSAYESZSA-N 354.307 5.308 0 1 FKAF COc1cc([C@@H]2CCCCc3c2ccc2c3ccn2C)cc(OC)c1OC 1772613852 BWBUFMLHKKEKPK-INIZCTEOSA-N 365.473 5.062 0 1 FKAF C[C@H](CC(=O)Nc1nnc(-c2cccc(Cl)c2)s1)CC(C)(C)C 1772651359 DKIWUMVKAFWULV-LLVKDONJSA-N 351.903 5.259 0 1 FKAF CC(C)=C[C@@H](O)[C@@H](O)C(C)=CCCC(C)=CCc1c[nH]c2ccccc12 2356435904 RWUFSDSPFFBHHT-PKTZIBPZSA-N 353.506 5.071 0 1 FKAF COc1ccc(/C=C/c2c(-c3ccc(OC)cc3)oc3ccccc23)cc1 15933825 SQITWOIMYFCZFU-CXUHLZMHSA-N 356.421 6.287 0 3 FKAF O[C@H](c1cccc(Cl)c1)c1nc(-c2csc3ccccc23)cs1 61930192 HLHMGKIBVYQCOH-QGZVFWFLSA-N 357.887 5.760 0 3 FKAF CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)NC1CCCC1 775574 GBAFKMRFVAKMJZ-UHFFFAOYSA-N 364.848 5.104 0 1 FKAF O=C(CCCN1CCC(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 13558986 ISTLEDHRAMPSGK-UHFFFAOYSA-N 359.872 5.322 0 1 FKAF CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H]1CCCc2ccccc21 13887948 BGPLPWJOGBYEMS-LJQANCHMSA-N 364.533 6.175 0 1 FKAF C[C@@H]1OC(=O)[C@H](CCCCCCCCCCCCCc2ccccc2)[C@@H]1O 15044501 PBJHEIRFTYGACF-MDNUFGMLSA-N 374.565 5.833 0 1 FKAF biogenic FC(F)(F)c1cccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c1 28898088 CVZFLMXFDBHDBT-UHFFFAOYSA-N 372.177 5.319 0 1 FKAF COCc1cc(O)c2c(c1O)[C@@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2 40976253 APGZBIKZXBYIEJ-WKZKVMAPSA-N 358.522 5.301 0 1 FKAF CCCCCCSc1cc(Cl)c(C(=O)CCN(C)C)c(Cl)c1 43067844 FMAGUGAMAUFDGT-UHFFFAOYSA-N 362.366 5.800 0 1 FKAF CC(C)(C)c1cc(/C=C/C=C/c2cc(O)cc(O)c2)cc(C(C)(C)C)c1O 66258884 RKFUXRDBQPOJIU-FIFLTTCUSA-N 366.501 6.125 0 1 FKAF COc1ccc2c(c1)sc1c(Nc3ccc(Cl)cc3F)ncnc12 95593419 FWUFEFYWXNGPBF-UHFFFAOYSA-N 359.813 5.389 0 1 FKAF CC[C@H]1CCC[C@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)C1 96175016 JAINFWWOGRETLN-WMZOPIPTSA-N 372.472 5.292 0 1 FKAF O=c1c2c(oc(O)c1[C@H](c1ccccc1)C1CC1)CCCCCCCC2 100808303 AMQQAQXRRHSJHR-HXUWFJFHSA-N 352.474 5.327 0 1 FKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(/C=C/c3ccccc3)cc21 143268855 HTCPTLFWSWDULW-RQWLHQTBSA-N 352.355 5.636 0 1 FKAF CCCCCn1cc(C(=O)c2cccc3ccccc23)c2c(F)cccc21 149013625 DORUHWJKHRYKPX-UHFFFAOYSA-N 359.444 6.355 0 1 FKAF c1ccc(C[C@@H](c2ccccc2)N2CCN(C3CCCCCC3)CC2)cc1 169317936 OOXAMAXYPASGNA-VWLOTQADSA-N 362.561 5.311 0 1 FKAF CC[C@H](O)/C(C)=C/[C@H](C)[C@@H](O)/C(C)=C/C(C)=C/[C@@H](C)/C=C/c1ccccc1 169356787 YLFWWEOWHPOZJW-HUWJHYCJSA-N 368.561 5.943 0 1 FKAF Oc1ccc(-c2cc(-c3cccs3)nc3c2COc2ccccc2-3)cc1 473113904 HUQFWWKSTIOQCJ-UHFFFAOYSA-N 357.434 5.742 0 1 FKAF C[C@@H](c1nc2ccc(Br)cc2[nH]1)c1ccccc1C(F)(F)F 587098840 XKWQFZZWQPRGDV-SECBINFHSA-N 369.184 5.496 0 1 FKAF CCc1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587128747 PGJKYOMGGAATPY-UHFFFAOYSA-N 355.413 5.853 0 1 FKAF CC[C@@H]1C(=O)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587366863 NRLZQVMZLQTVIO-OAHLLOKOSA-N 357.409 5.275 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)[C@@H](O)CC3)c1 587367632 WUTWRFGLFVHRFC-IBGZPJMESA-N 373.452 5.241 0 1 FKAF CC(C)CSC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370134 UIJRJWTWJBOGED-CTNGQTDRSA-N 374.477 5.038 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(CSC(F)F)o1)CC2=O 587468397 WZHFXULZCMNHNL-INIZCTEOSA-N 368.401 5.100 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@@H](C)CC)cc1)CC2=O 587484813 NRVDXXLIJHOILY-LHSJRXKWSA-N 354.446 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cccnc3)c1)CC2=O 587490194 PCEGTTAYIXBEQF-QFIPXVFZSA-N 359.425 5.113 0 1 FKAF O=C1C[C@H](c2c(Cl)cc(O)cc2Cl)Oc2c1ccc1c2CCCC1 587496889 GRQXIJITXOIVRA-QGZVFWFLSA-N 363.240 5.284 0 1 FKAF CC[C@@]1(Cc2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603827 RUWVLWVFPNWCSH-URXFXBBRSA-N 374.436 5.054 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccccc3C(F)(F)F)c2c1 587642090 OGRBTTQFWIPDIT-LBPRGKRZSA-N 374.406 6.261 0 1 FKAF CCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811008 FPPVLXWENITMFY-DJJJIMSYSA-N 362.286 5.166 0 1 FKAF CCCC/C=C/C=C\[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820983 SACRZIAMGJHMFR-JAUGBLATSA-N 352.291 5.466 0 1 FKAF CC(C)[C@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587848306 NOEUYHGIRWZTNI-GTNSWQLSSA-N 368.315 5.084 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1cccc(F)c1 587855204 MMRLCYMJQFYAFK-UHFFFAOYSA-N 365.235 5.443 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccnc1Cl 587865135 RBQSSKDCTYXTGC-UHFFFAOYSA-N 367.758 5.005 0 1 FKAF Cc1nnc(N2CCCC2)c(-c2nc(-c3cccc(Cl)c3)cs2)c1C 587920417 KEJADWSTOVRGDE-UHFFFAOYSA-N 370.909 5.138 0 1 FKAF O=C(O)[C@H]1CNCC[C@H]1CCCC/C=C/c1ccccc1-c1ccccc1 653739048 NFKWYEPWXOKOAJ-DPZDJSCESA-N 363.501 5.238 0 1 FKAF CC(C)[C@@H]1C[C@@]2(c3ccccc31)c1ccsc1CCN2Cc1ccco1 962711683 UOBWCGROTKVTSU-WMZHIEFXSA-N 363.526 5.786 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccc(C)cc1)c1ncccc1C 963243879 TZXYBTSKPGYFMB-RLWLMLJZSA-N 370.540 5.647 0 1 FKAF Cc1ccccc1[C@]1(c2ccc(Cl)cc2)NCCc2cc(Cl)ccc21 963391211 QFULMFFKNMOXEX-QFIPXVFZSA-N 368.307 5.739 0 1 FKAF CCCc1ccccc1NCc1ccc(C(=O)Nc2nc(C)cs2)cc1 1857773463 GETHIQUDYMXOSR-UHFFFAOYSA-N 365.502 5.268 0 1 FKAF CC(C)=C[C@H]1C[C@](C)(C=Cc2cccc3cc[nH]c23)c2cc3[nH]ccc3cc21 2356448817 PUOYSRIYVHOQQB-LVXARBLLSA-N 366.508 7.074 0 1 FKAF C=CC[C@@]1(C#N)C(=S)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccccc1 783182 WFWLVRWYFJLEGN-NQIIRXRSSA-N 350.487 5.270 0 1 FKAF CCCCCc1cc2c(c3c1CCCO3)[C@@H]1CC(=O)CC[C@H]1C(C)(C)O2 13606337 NNVGQPKFTFCOLW-RTBURBONSA-N 356.506 5.368 0 1 FKAF C[C@H](Cc1cccc(OCc2ccc3ccccc3n2)c1)C[C@H](C)C(=O)O 13917916 JVBGKXGXUZCESP-IRXDYDNUSA-N 363.457 5.103 0 1 FKAF COC(=O)[C@]1(C)CCC[C@@]2(C)C3=C(CC[C@H]12)CC1(CC3)SCCS1 17215161 NJJRJTCHDTYRKU-YTQUADARSA-N 366.592 5.423 0 1 FKAF CCCO[C@@]1(c2ccc(-c3ccccc3)cc2)CN(C)[C@@H]2CCCC[C@@H]2O1 27706659 IZIGKCAJJSJZKU-SGNDLWITSA-N 365.517 5.206 0 1 FKAF Cc1cccc(-c2ccc3c4c([nH]c3c2)-c2cc(O)c(C(=O)O)cc2CC4)c1 34893960 IKPAWXAYJQPZQE-UHFFFAOYSA-N 369.420 5.313 0 1 FKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)c1cnccc1-2 45196041 NJJWRIIXAACDRY-HZPDHXFCSA-N 353.506 6.402 0 1 FKAF CCCN(CC[C@H](C)[C@H]1CC=C(C)CC1)S(=O)(=O)c1ccc(C)cc1 49072251 ZTECIBBFIKJRLV-PMACEKPBSA-N 363.567 5.168 0 1 FKAF CCc1cnc(-c2cnc(NCC3CCCCC3)nc2-c2ccco2)s1 82165487 GUPJTAUKISPEGZ-UHFFFAOYSA-N 368.506 5.415 0 1 FKAF NCCc1c[nH]c2ccc(OCc3cccc(Oc4ccccc4)c3)cc12 95595065 YYLSHGHAVTXYPD-UHFFFAOYSA-N 358.441 5.040 0 1 FKAF CC(C)(C)c1ccc(/C=C/c2nc3cc(-c4ccccc4N)ccc3[nH]2)cc1 117155110 XHARVNDXBPUMDR-XNTDXEJSSA-N 367.496 6.280 0 1 FKAF C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)Cc1ccc(-c2ccccc2)cc1 473091511 QSBGLCPILUAUCH-WXCJWQIYSA-N 374.568 7.288 0 1 FKAF CCCCC1CCC(c2nc3cccc(OCc4ccccc4)c3[nH]2)CC1 586883263 ARVYBULAZDIWMV-UHFFFAOYSA-N 362.517 6.606 0 1 FKAF OCCCCCCCCCCCc1nc2ccc(Br)cc2[nH]1 586894612 OOMJVSMCEYTFBT-UHFFFAOYSA-N 367.331 5.371 0 1 FKAF COc1cc(/C=C/c2nc3cc(C)c(C)cc3[nH]2)ccc1Br 586975845 GKAYFQFOTDFIMC-FNORWQNLSA-N 357.251 5.121 0 1 FKAF Cc1cc(Br)ccc1OCc1nc2ccc(C(C)(C)C)cc2[nH]1 586982047 YQQBTPCIICZLFT-UHFFFAOYSA-N 373.294 5.510 0 1 FKAF COc1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 587072399 VPQFJLNYMJSFKE-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF Cc1cnc(Cl)c2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c12 587159012 VDUOPMCRYAMKRU-UHFFFAOYSA-N 365.795 5.205 0 1 FKAF Fc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OC[C@H]1CCCCO1 587210587 RPDTVBTVYUEINI-GOSISDBHSA-N 363.432 5.087 0 1 FKAF Nc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c2ccccc2c1 587251510 HNTWHVQNJBXSOC-UHFFFAOYSA-N 372.653 5.381 0 1 FKAF CC(C)(C)C[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359216 ZWGXAJNIEVAHRN-REWPJTCUSA-N 368.448 5.475 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C(C)C[C@@H]3C)c1 587364749 CLUZEYGOHHIPRJ-HNNXBMFYSA-N 355.437 6.567 0 1 FKAF COc1cccc(-c2cc(Cc3ccccc3)nc3c2oc2ccccc23)c1 587366163 SWOZYGFJKRSRDW-UHFFFAOYSA-N 365.432 6.247 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(CC/C=C(/C)CCC=C(C)C)CC2=O 587489107 LZEDMSNOACSJLW-RKMMBKDRSA-N 370.533 6.542 0 1 FKAF Cc1nc(-c2ccccc2)ncc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514700 JCSGAZXDIJAUQA-JOCHJYFZSA-N 370.452 5.037 0 1 FKAF C[C@H](C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)CC(C)(C)C 587601428 FXZMQWXCNALABS-NIKGAXFTSA-N 354.446 5.185 0 1 FKAF C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2cccc(F)c2c1-c1ccccc1 587635820 UCNQSDLUOMNXHX-CYBMUJFWSA-N 354.425 5.560 0 1 FKAF CCCCCC[C@@]1(CCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587812820 KWQGOGWDTGSGGM-AUUYWEPGSA-N 370.350 6.088 0 1 FKAF CC(C)=CCC[C@H](C)C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821022 SGPWAVAIHZAOOR-IQUTYRLHSA-N 368.334 5.936 0 1 FKAF Oc1ccc(-n2c(O)cc(-c3ccc(F)cc3)c2O)cc1-c1ccccc1 587927791 YLQKKRRNMYURPM-UHFFFAOYSA-N 361.372 5.067 0 1 FKAF COc1cc2c(cc1OC)[C@](CC(C)C)(c1ccccc1C)N(C)[C@H](C)C2 962559497 BZIYQKLSYXVEAN-KOSHJBKYSA-N 367.533 5.178 0 1 FKAF CCC(C)(C)[C@]1(c2ccc(C)cc2C)c2c(F)cccc2C[C@H]2CCCN21 963097919 OBNCTKHZPQGMBX-NLFFAJNJSA-N 365.536 6.143 0 1 FKAF CCCN1[C@H](c2c(C3CC3)nc3sccn23)c2ccccc2C[C@H]1C 963233777 DEEAYMQMLVUACQ-KUHUBIRLSA-N 351.519 5.019 0 1 FKAF CCCCC(CCCC)[C@]1(C)c2cccc(Br)c2CCN1C 963288717 FKQAOKDAWQANOK-HXUWFJFHSA-N 366.387 6.149 0 1 FKAF Oc1ccc(NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 1857547839 VRWRCYPCPITWLV-UHFFFAOYSA-N 361.426 5.009 0 1 FKAF Cc1cccc(C(=O)Nc2cncc(-c3cc(-c4cccnc4)cs3)c2)c1 1857649659 OBTULXOXCWJHOE-UHFFFAOYSA-N 371.465 5.433 0 1 FKAF COc1ccc([C@H](c2cc3ccccc3o2)c2c(C)[nH]c3ccccc23)cc1 2382232809 YANWLBFBHJAYDF-RUZDIDTESA-N 367.448 6.411 0 1 FKAF Cc1ccc(Cc2c(-c3ccc(C)cc3)nc3c4ccccc4ccn23)cc1 61923581 WFCMDNROYIELCC-UHFFFAOYSA-N 362.476 6.362 0 3 FKAF CCC(C(=O)Oc1ccc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F 3189092 OSFZIRJWRVVOSL-UHFFFAOYSA-N 369.088 5.420 0 1 FKAF biogenic Cc1cccc(Nc2nc(-c3cc(-c4ccc(Cl)cc4)no3)cs2)n1 13141378 VWOORQIVTRRPBX-UHFFFAOYSA-N 368.849 5.566 0 1 FKAF CCC[C@H](C)CCCCCCCCCCCCCCOC[C@@H](O)CO 15261836 UZBZUESMKWXVBH-VXKWHMMOSA-N 358.607 5.864 0 1 FKAF biogenic CCCCOC(=O)S[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233096 RXRWOMVSNVQYHQ-HNNXBMFYSA-N 373.305 5.601 0 1 FKAF Cc1ccc(CCCc2ccc(Nc3ccccc3C(=O)O)cc2)cc1C 40410900 DFGUZCWUUAWTLU-UHFFFAOYSA-N 359.469 5.921 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 64622594 APXXTQNUGVCUBV-DMIXWWBTSA-N 370.665 8.418 0 1 FKAF in-vitro c1ccc2c(c1)ccc[n+]2CCCCCCC[n+]1cccc2ccccc21 71295557 BLMJGURMDNTUKU-UHFFFAOYSA-N 356.513 5.219 0 1 FKAF Cc1ccccc1-c1nc(NCc2ccccc2)ncc1-c1nc(C)c(C)o1 82177602 OUCDOITZRJHALN-UHFFFAOYSA-N 370.456 5.336 0 1 FKAF COC1=CC2=N/C1=C\c1ccc([nH]1)CCCC/C=C/CCCc1cccc2c1 87722268 GTTQOLVPKWSQNQ-JVIGBZKYSA-N 372.512 5.994 0 1 FKAF O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc12 96270335 OOWRVCMHHDPFOK-UHFFFAOYSA-N 359.356 5.531 0 1 FKAF CCCCCOc1ccccc1-c1cc(C(=O)NC2CCCCCC2)no1 96913500 PXNXWXIDTURTAX-UHFFFAOYSA-N 370.493 5.363 0 1 FKAF CC1=C2C[C@@H](O)[C@H](C)[C@@H]2[C@@H](O)[C@@]2(C)CC[C@]3(C)CCC(C)(C)C[C@H]3[C@@H]2CC1 169638474 GPHBRZAMTODMIC-ZRWUOWLCSA-N 374.609 5.723 0 1 FKAF Cc1ccc2c(ccc3nc(-c4ccccc4-c4ccc(O)cc4)[nH]c32)n1 586898358 IDKHCMONOVDIDV-UHFFFAOYSA-N 351.409 5.459 0 1 FKAF Clc1ccc(OCc2nc3cccc(Cl)c3[nH]2)c(Br)c1 586977384 MRDFBPYGJLGSEO-UHFFFAOYSA-N 372.049 5.211 0 1 FKAF CCc1ccc(-c2nc(-c3nc4ccc5ncccc5c4[nH]3)cs2)cc1 587015371 BJWPKQARWTZNAI-UHFFFAOYSA-N 356.454 5.464 0 1 FKAF COc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1OC 587052149 WZQIFTQUORILMF-ZJUUUORDSA-N 363.244 5.158 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 587070734 WAHDBVDVLICKAB-CYBMUJFWSA-N 352.865 5.472 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@H](c1ccccc1)C4)-c1ccccc1C2=O 587100363 HVTTVPFWJUNTLN-QGZVFWFLSA-N 361.444 5.637 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2cc(Br)cc(F)c2[nH]1 587154243 ANJQVXXYGADYRV-ZDUSSCGKSA-N 367.193 5.134 0 1 FKAF Cc1c(F)ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587164702 VKNYSZSQMFIXNC-RVDMUPIBSA-N 352.409 5.800 0 1 FKAF C=Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587349817 CXEFRDBUQFOWSD-LADGPHEKSA-N 374.411 5.449 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](CC(C)C)C3)c1 587365108 FADXIQZRCHIELK-INIZCTEOSA-N 371.480 6.418 0 1 FKAF O=C1C[C@H](c2csc(-c3ccccc3)n2)Oc2c1ccc1c2CCCC1 587534632 DGYAZRTYLCDGGL-HXUWFJFHSA-N 361.466 5.395 0 1 FKAF Cc1cc(Cl)cc2c([C@@H]3CCCN3C(=O)OC(C)(C)C)c(C3CC3)[nH]c12 587627352 SWKXQLOHJOCWON-INIZCTEOSA-N 374.912 6.079 0 1 FKAF CC(C)[C@H]1CC[C@H](C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824890 ATAKSFXTICDOLC-HXYMJUCXSA-N 368.334 5.410 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)c1 587933154 KZVTYZGILBFUMB-UHFFFAOYSA-N 368.795 5.404 0 1 FKAF CCOc1cc(C=O)c(OCC)n1CCCc1ccc(Cl)c(Cl)c1 587943240 RLPTXHSHMYXFSZ-UHFFFAOYSA-N 370.276 5.038 0 1 FKAF COc1ccc([C@H](C)[C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc1OC 962671751 UXFPQYCTLXREPJ-GKVSMKOHSA-N 373.496 5.361 0 1 FKAF COc1ccc2c(c1)[C@](C)(CSc1ccc(Cl)cc1)N[C@@H]1CC[C@@H]21 962995285 MQRDAEARWAZCBB-SXLOBPIMSA-N 359.922 5.205 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc(Cl)ccc1OCC(C)C 963230823 AYPXMJSLVGPKST-SBUREZEXSA-N 371.952 6.121 0 1 FKAF CN(CCCc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCCC2 1772575720 RVXMWHNFSHVIMJ-UHFFFAOYSA-N 371.524 5.743 0 1 FKAF CCCCCCOc1cc(Cl)c(C(=O)CC[N@]2C[C@@H]2C)c(Cl)c1 1857605555 JAAIRJBWUHNPLG-YEJXKQKISA-N 358.309 5.229 0 1 FKAF C[C@H]1CC[C@H]2[C@H](C1)c1c(c(-c3cccs3)c(Cl)[nH]c1=O)OC2(C)C 2382254829 BSDLDIIAKUGLRQ-SRVKXCTJSA-N 363.910 5.448 0 1 FKAF Cn1c(-c2cccnc2)cc2c(Nc3cccc(C(F)(F)F)c3)nccc21 206016065 GSUACSALRNUHSO-UHFFFAOYSA-N 368.362 5.398 0 3 FKAF CC1=C(CC/C(C)=C/C=C/[C@@H](C)C(=O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 14615411 MCGZTMASYFHHQZ-QGRGUZGSSA-N 358.566 6.933 0 1 FKAF Cc1cc(O)c(Cl)c(Oc2c(Cl)c(C)cc(O)c2Cl)c1Cl 14722074 JQJSCZHWNXHQIP-UHFFFAOYSA-N 368.043 6.121 0 1 FKAF biogenic CCCCCC[C@@H](c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 22941649 PYVYQSFRPHLGSU-RJGXRXQPSA-N 370.968 6.126 0 1 FKAF O=C(O)c1c(O)c(-c2ccc(Oc3ccccc3)cc2)nc2ccccc12 34305777 DOKWWDZGRNLEEJ-UHFFFAOYSA-N 357.365 5.098 0 1 FKAF CCN(CC)C(=S)S[C@H](CC(=O)c1ccccc1)c1ccccc1 38238250 UFIRKRAEHPFCIY-LJQANCHMSA-N 357.544 5.361 0 1 FKAF COc1ccc(Nc2ccnc3cc(-c4ccccn4)ccc23)cc1OC 45168746 GJBMFADBMHBWBO-UHFFFAOYSA-N 357.413 5.058 0 1 FKAF Nc1ccc(SCc2cc(Br)cc(Br)c2)cc1 71340398 UKXPYZPBUUSMAQ-UHFFFAOYSA-N 373.113 5.086 0 1 FKAF CC1(C)CC(CCNc2ccccc2)(c2ccccc2)CC(C)(C)S1 72110077 RCNXGLFAUSLQBY-UHFFFAOYSA-N 353.575 6.511 0 1 FKAF CCCOc1ccc(-c2cc(OCc3ccccn3)c3ccccc3n2)cc1 96927231 KBMRULWZARHJHH-UHFFFAOYSA-N 370.452 5.665 0 1 FKAF Cc1cc2c(cc1C)C(Cl)=C(c1nnc(-c3ccccc3)o1)CCC2 299864363 MHJATQJOXJWTQC-UHFFFAOYSA-N 350.849 5.797 0 1 FKAF FC(F)(F)c1cnc2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2c1 587055065 QTJKVOFCVHIOFP-SNAWJCMRSA-N 358.150 5.454 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Cl)c(Cl)nc2[nH]1 587061186 CBIZWFXQZYVDAJ-LLVKDONJSA-N 356.640 5.448 0 1 FKAF CNc1cc(Cl)ccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587066884 IVUMUDOLDHHGOH-UHFFFAOYSA-N 357.788 5.537 0 1 FKAF COc1cccc(OC)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106242 HKNRXJJMVIFVTI-UHFFFAOYSA-N 367.404 5.130 0 1 FKAF Cc1cccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587151108 QAWWRTQVDHICED-HXUWFJFHSA-N 350.368 5.318 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(F)c(Br)c3[nH]2)c1F 587152236 KWYLSEPMEZPDGX-DTWKUNHWSA-N 367.168 5.014 0 1 FKAF CCO[C@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587366620 XLAVAFWABQHDHL-FQEVSTJZSA-N 373.452 6.071 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(Cl)cccc1Cl)(C(C)C)O2 587374706 JCEFSQWAENACNO-LJQANCHMSA-N 364.272 5.401 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1nc(-c3ccccc3)cs1)CC2=O 587496764 UJPWATFFKYSRTB-IBGZPJMESA-N 365.454 5.175 0 1 FKAF O=C1C[C@@H](c2cc(-c3ccsc3)cs2)Oc2c1ccc1c2CCCC1 587530052 CNHQULSKRRDYQT-IBGZPJMESA-N 366.507 6.062 0 1 FKAF Cc1cc(C)c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587603224 ODLHRFFSWNUQAW-ZJSXRUAMSA-N 374.436 5.329 0 1 FKAF Cc1ccc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587802510 MGABJEJYDBWIRZ-WYRIXSBYSA-N 373.269 5.002 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C3CC3)c2)N1 587816510 ZBFCYUYFGLGNTE-YUNKPMOVSA-N 374.297 5.263 0 1 FKAF C[C@H]1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587816795 DJFZZHCZXBZJJG-RDXCRGQUSA-N 374.297 5.263 0 1 FKAF Cc1ccccc1/C=C\[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817913 FLANSMGNPZKXTA-ZIPALELNSA-N 360.270 5.185 0 1 FKAF CC(C)[C@H]1CCC[C@@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587819255 UUBRZRVRXCIPFV-TYILLQQXSA-N 368.334 5.554 0 1 FKAF Cc1ccc(C(C)C)c(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587873917 PMXJZXFSFYRLOQ-UHFFFAOYSA-N 366.392 4.946 0 1 FKAF CC1(C)CCC(C)(C)c2cc(Sc3cccc(CC(=O)O)c3)ccc21 653723928 QAUHGDOVQAPERZ-UHFFFAOYSA-N 354.515 5.814 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2C3)cc1 653735650 FBQYMEYJNZXCJV-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF c1coc(CN2CCc3sccc3[C@@H]2CCc2ccc3c(c2)CCO3)c1 962719169 XNKGPALMOKCINQ-FQEVSTJZSA-N 365.498 5.008 0 1 FKAF CC(=O)Oc1ccc(O)cc1C[C@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]21 2356803186 WUPXFGNCTYEWMM-FBAPQVDSSA-N 356.506 5.659 0 1 FKAF CCCC1CCC2(CC1)CC[C@H]2OC(=O)Nc1cccc(C(F)(F)F)c1 205706578 UHMBWOGFSRBZDJ-LTCLLZNKSA-N 369.427 6.393 0 3 FKAF O[C@H](C1CCCCCCCCCC1)[C@H](O)C1CCCCCCCCCC1 5566839 XELVUFDGJNSXOP-DNQXCXABSA-N 366.630 6.770 0 1 FKAF CCOc1ccc([C@@H]2c3c(ccc4ncccc34)N=C3CCCC(=O)[C@@H]32)cc1 13524220 XYTRLGRKPXOCIJ-ISKFKSNPSA-N 370.452 5.221 0 1 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1 13587845 ODQOCJVSQCAFKC-GSTPBQSSSA-N 358.614 5.104 0 1 FKAF biogenic CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCc2ccccc2C1 13863351 FGLBWUVSKJHATO-OAQYLSRUSA-N 372.468 5.500 0 1 FKAF C[C@@H](C(=O)O)c1ccc(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12 26642774 OCFXETOYQVQPIZ-GFCCVEGCSA-N 359.252 5.926 0 1 FKAF Cc1ccc(-c2nc3cc(-c4ncccc4C(F)(F)F)ccc3[nH]2)cc1 38156651 GNJRIIPXLQFRMY-UHFFFAOYSA-N 353.347 5.619 0 1 FKAF c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)n[nH]4)cc3)[nH]n2)cc1 38230941 RFVHRWKLSGASLI-UHFFFAOYSA-N 362.436 5.801 0 1 FKAF FCCC[C@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 45260767 VCRRGVDRNWQLNT-OAQYLSRUSA-N 357.444 5.138 0 1 FKAF O=C1C[C@@H](c2cccs2)Sc2ccccc2N1Cc1ccccc1 95560953 NEIRQYHPKPVOLN-IBGZPJMESA-N 351.496 5.518 0 1 FKAF COc1ccc([C@H]2CC3=Nc4ccc(Cl)cc4SC3=C(O)C2)cc1 100796373 QMRRONYSQZQNFU-LBPRGKRZSA-N 357.862 5.874 0 1 FKAF CN1[C@H]2CC[C@@H]1C[C@H](O[C@H](c1ccccc1)c1ccc(C(C)(C)C)cc1)C2 103267896 IGNVGOLMZFBAMQ-NAVOZUGXSA-N 363.545 5.715 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CNc1cc(C(=O)O)ccc1O 103297397 KXRSQQAUAGHDRL-IJUJUXHTSA-N 357.494 5.922 0 1 FKAF O=C(Nc1ccccc1)Nc1ccc(-c2ccc(-c3ccc[nH]3)nc2)cc1 168784287 BVYIWMJHRFHXKS-UHFFFAOYSA-N 354.413 5.388 0 1 FKAF CSc1cccc(N=c2[nH]c(-c3cc(F)cc(Cl)c3)cs2)c1 473083737 DDPYMODKBXVAID-UHFFFAOYSA-N 350.871 5.490 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Cl)cnc3[nH]2)c1 586879073 ONIMPTMNNITQHQ-UHFFFAOYSA-N 361.832 5.126 0 1 FKAF Fc1cc2[nH]c(-c3cccc(-c4ccsc4)c3)nc2cc1C(F)(F)F 587026357 UKBXMQZMMASSRW-UHFFFAOYSA-N 362.351 6.116 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)cc2C1 587033391 HXXHVVPATMEDQZ-MRVPVSSYSA-N 370.827 6.088 0 1 FKAF Oc1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(Cl)c1 587056137 ZCFBXQSZDMWFRT-UHFFFAOYSA-N 350.805 5.168 0 1 FKAF CC(C)(C)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076068 HSEXTJQJEYMIMR-SFHVURJKSA-N 353.853 5.131 0 1 FKAF Clc1cnn(COc2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)c1 587081838 HIZDOUJHOGGZFZ-UHFFFAOYSA-N 374.831 5.270 0 1 FKAF Cc1cc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c(C)n1 587110402 UXEWJYDZHUPMEC-UHFFFAOYSA-N 373.300 5.203 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(F)cc(F)c4[nH]3)ccc2F)cc1 587139191 ALLJVYPEBYQZBG-UHFFFAOYSA-N 366.342 5.517 0 1 FKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccc(Cl)c2[nH]1 587192028 QOLLWMPTDLRILD-QGZVFWFLSA-N 371.868 5.173 0 1 FKAF CCc1c(CCc2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587206497 NHGHJQKXSBSDJU-UHFFFAOYSA-N 363.460 5.794 0 1 FKAF Cc1ccc(NC2(c3nc4c(Cl)cnc(Cl)c4[nH]3)CCCC2)cc1 587237560 UATXCIJCVPNJEH-UHFFFAOYSA-N 361.276 5.455 0 1 FKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(Cl)cc2[nH]1 587247567 PIOHUTSFJXPCQJ-UHFFFAOYSA-N 363.848 5.631 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cc(F)cc(F)c3)cc1)O2 587384616 GFYOWIVZOLDLQB-OAQYLSRUSA-N 365.379 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1c1ccc(Cl)cc1)CC2=O 587463592 WAZMPFOHRIIJLK-AVRDEDQJSA-N 370.876 5.670 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccccc3)o1)CC2=O 587482044 OEXYTCYJMSVZOJ-HXUWFJFHSA-N 364.397 5.437 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(C)cc1)CC2=O 587487536 FKFSGGQJNYUULJ-VWLOTQADSA-N 372.464 5.562 0 1 FKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1cc(F)ccc12 587504138 FZNUXZFBFGWMNJ-RUZDIDTESA-N 370.423 5.594 0 1 FKAF CCCCC[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602410 XJKVPFLZXZVQFT-AUSIDOKSSA-N 368.473 5.719 0 1 FKAF C[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587603306 LUPUKIZUTYXMGY-FVFQAYNVSA-N 372.420 5.147 0 1 FKAF CC(C)(C)[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587605356 ZDPFNLRRISDXNP-YDHSSHFGSA-N 366.457 5.329 0 1 FKAF CC(C)c1c(Cc2ccc(Cl)cc2Cl)[nH]c2ccc(F)c(Cl)c12 587628982 XBCGTGVDUURGKT-UHFFFAOYSA-N 370.682 6.981 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CCCC[C@H]3C2)N1 587818044 PBTJUWXDCMOKDP-PITQQHRWSA-N 366.318 5.308 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc(C)c(C)c4[nH]3)c2C)c(OC)c1 587930950 XUXVEAOJRCLDQA-UHFFFAOYSA-N 372.468 5.839 0 1 FKAF FC(F)(F)Oc1cccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587962032 POXZUPSNXVQQOB-UHFFFAOYSA-N 368.358 5.719 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(C(F)(F)F)cc2)N1 962949273 LDUIVCMPEVKRJU-FOIQADDNSA-N 358.407 5.375 0 1 FKAF C[C@H](Oc1cccc(Cl)c1)[C@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963113644 ZAMLVUFWZZIDJG-FIKMYACPSA-N 359.872 5.182 0 1 FKAF CC(C)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3NCCc4ccc(O)cc43)c2c1 963344142 ZEXQBQIBLASRMW-JOCHJYFZSA-N 362.517 5.530 0 1 FKAF Clc1ccc2c(c1)CCN[C@]21CC2(CCCCC2)Oc2ccccc21 963390819 NDKQBPXAHNMSCD-JOCHJYFZSA-N 353.893 5.215 0 1 FKAF Cc1nc(-c2ccccc2)oc1-c1csc(-c2ccc(F)c(Cl)c2)n1 1772588538 BQTAOWGKHIIGCL-UHFFFAOYSA-N 370.836 6.233 0 1 FKAF N[C@H]1CC[C@@H](N[C@@H]2C[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 1772611065 BINXOHRETRQOCW-JSXRDJHFSA-N 374.450 5.088 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)nc3c2[C@H](O)c2ccccc2-3)cc1 1857746505 ATTCLOPQLOHOAE-XMMPIXPASA-N 351.405 5.183 0 1 FKAF CC(C)=CCC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CC(=O)O)C(C)=CC[C@@H]12 2356486564 WZOUGXJIBZOMTP-PEISPCAHSA-N 372.593 7.323 0 1 FKAF CC(=CCc1c(O)cc(C)c(C=O)c1O)CC[C@]1(C)CC[C@H](C)C(=O)[C@@H]1C 2356703767 SZXAFXOYHGJSFA-WSZRMNBISA-N 372.505 5.129 0 1 FKAF CC(C)c1ccc(O[C@@](C)(Cc2ccc(-c3ccccc3)cc2)C(=O)O)cc1 13604826 QUOZYIVWPIEWIK-VWLOTQADSA-N 374.480 5.942 0 1 FKAF C/C(=C/c1ccc2ccc(Cl)cc2n1)c1cccc(O[C@@H](C)C(=O)O)c1 13727995 OBKYYCSRBOOXHT-ZVHGMHCTSA-N 367.832 5.301 0 1 FKAF CC/C=C/CCCCCCCCCCCCCCCc1cccc(O)c1 14614315 JRYABHVBSWEOHA-ONEGZZNKSA-N 358.610 8.362 0 1 FKAF CC(C)=CCC[C@]1(C)O[C@@H]1Cc1c(O)ccc2c1[nH]c1cc(O)c(C)cc12 15206011 UYTBVHGZBBQOOF-GGAORHGYSA-N 365.473 5.487 0 1 FKAF biogenic CC(C)Nc1nc2ccc(-c3ccnn3-c3ccc(F)cc3)cc2s1 29041786 BIJIVHNRMIICQA-UHFFFAOYSA-N 352.438 5.108 0 1 FKAF COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cccnc2)cc1 40956592 VQUARJCMNGAQJX-UHFFFAOYSA-N 355.437 5.510 0 1 FKAF CCC/C=C\CSC[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 84688332 QXBFRDGMYMBQMJ-KCGBEKCYSA-N 352.540 5.071 0 1 FKAF CCCCCC1=CC[C@]2(C)[C@@]34CCC(C)=C3C[C@@]2(CC[C@H]4C)[C@@H]1N1CC1 85548328 VZAPAZLMTOYKEU-UTHIKGHZSA-N 353.594 6.504 0 1 FKAF biogenic,in-vitro Cc1ccc(C(=O)c2c(N)sc(-c3ccccc3)c2CC(C)(C)C)cc1 103228502 QAQQDPPBZKOTQC-UHFFFAOYSA-N 363.526 6.125 0 1 FKAF Cc1ccc(Oc2cn(C3CC3)c(COc3ccccc3)cc2=O)c(C)c1 141720528 DXODYOCFDQAXCB-UHFFFAOYSA-N 361.441 5.171 0 1 FKAF CCCCC/C=C\C=C\[C@H](O)C/C=C/C/C=C/C/C=C/CCCCC(=O)O 238780097 WCPFNHAOKQUJEV-HJOFJUAISA-N 374.565 6.524 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586886416 FZCJHISZSQYBJX-CPJSRVTESA-N 364.448 5.165 0 1 FKAF Cc1c(-c2nc3c(OCc4ccccc4)cccc3[nH]2)oc2c1[C@@H](O)CCC2 586903958 OQPUTDQOVYWRLN-KRWDZBQOSA-N 374.440 5.080 0 1 FKAF O=C1c2ccccc2-c2cc(-c3csc(Cl)c3)nc3ccc(O)c1c23 586994440 SBDOTFMTVFOYCU-UHFFFAOYSA-N 363.825 5.534 0 1 FKAF CC(C)Oc1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052528 DQAHCBWPGLCPHG-UHFFFAOYSA-N 351.837 5.461 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc(Cl)c3O)nc3cccc1c23 587103435 HUHVCIDSCXTHEQ-UHFFFAOYSA-N 357.796 5.472 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccs3)cc1F)O2 587386176 TUJBKUJGBQMXIU-GOSISDBHSA-N 353.418 5.151 0 1 FKAF O=C1C[C@@]2(CCC[C@H]2c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587498254 DLXFSYQRBHZCTA-NZQKXSOJSA-N 366.888 5.891 0 1 FKAF CC(C)Oc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526489 XTMRPAYMOXLAMD-HSZRJFAPSA-N 350.458 5.233 0 1 FKAF COc1cc(C)ccc1OCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587563459 FMLYYQLGCHKZNJ-UHFFFAOYSA-N 370.758 5.131 0 1 FKAF CC[C@@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603720 RCMQDKBNGUSSCD-UGKGYDQZSA-N 352.430 5.083 0 1 FKAF CCCC1CCC([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587604014 QNKXHZRGGJPHHW-SCMFWSBQSA-N 366.457 5.329 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@@](O)(c1ccccc1)C(F)(F)F 587624514 NWBFRQPGQVBMCB-KRWDZBQOSA-N 353.771 5.236 0 1 FKAF Cc1cc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2[nH]1 587803306 OUUKYGXBSLSLNZ-APBUJDDRSA-N 373.269 5.002 0 1 FKAF Cc1ccc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587815927 RMBAPCGSNXLJAS-BFUOFWGJSA-N 362.286 5.003 0 1 FKAF CCCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587849795 VNMNFCKHEMQGHQ-BTDLBPIBSA-N 368.315 5.226 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CCC1CCCCC1 587860542 WOQFSYCTFNEJDX-UHFFFAOYSA-N 367.320 6.226 0 1 FKAF Fc1ccc(OCc2nc(-c3ccc(F)c(F)c3)cs2)c(Cl)c1 587921908 BADGKAIXONARGM-UHFFFAOYSA-N 355.768 5.460 0 1 FKAF O[C@@H]1CCc2c(/C=C3\c4ccccc4COc4cc(F)ccc43)cccc21 653723347 UOJKBHZFSVNGQE-PKGQOAHCSA-N 358.412 5.287 0 1 FKAF CC[C@H](c1cccc(OC)c1)[C@@]1(CC)c2ccc(F)cc2C[C@@H]2CCCN21 963106846 NZBPTWIBRUYVQS-FJIJXJHWSA-N 367.508 5.654 0 1 FKAF O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2c(Cl)cc(Cl)cc2[nH]1 1772642366 NBVMTPFKHUWIFC-UHFFFAOYSA-N 363.288 5.173 0 1 FKAF O=C(Nc1ncc(Cc2cc3sccc3s2)s1)C1CCCCC1 1857653801 YIKYGYDYMPBVIG-UHFFFAOYSA-N 362.545 5.529 0 1 FKAF O=C(Cc1ccccc1)Nc1cncc(-c2cc(-c3cccnc3)cs2)c1 1857765276 XXTRJPVJIAZBBR-UHFFFAOYSA-N 371.465 5.053 0 1 FKAF CC1=CCC[C@]2(C)CC[C@H](C(C)C)[C@H](OC(=O)C=Cc3ccc(O)cc3)[C@H]12 2356535833 KKYIBEYOWUAQME-AYVPJYCDSA-N 368.517 5.746 0 1 FKAF CCCCC[C@@H]1C[C@@H](OC)c2c3c(cc(O)c2[C@@H]1OC)C=CC(C)(C)O3 2356820828 FOPLWCNNWPOBIG-WIBUTAKZSA-N 360.494 5.552 0 1 FKAF CCCCCc1ccc(-c2cn(Cc3ccc4ccccc4c3)nn2)cc1 15937295 YMSYYNJVWPJESQ-UHFFFAOYSA-N 355.485 5.879 0 3 FKAF Cc1cccc(Cl)c1NC(=O)[C@H](Nc1ccccc1)c1ccccc1F 206049765 WNJQZLOXLAVQGU-HXUWFJFHSA-N 368.839 5.579 0 3 FKAF Clc1ccc([C@@H]2C[C@H](c3cccnc3)Nc3nc4ccccc4n32)cc1 2500052 HKFRJFBVFMBSLZ-QUCCMNQESA-N 360.848 5.231 0 1 FKAF CCN(CC)CCC[C@@H](C)Nc1cc(-c2ccccc2)nc2ccccc12 3594553 JHXAMHYEYLEFAG-LJQANCHMSA-N 361.533 5.824 0 1 FKAF CC(C)=CCC/C(C)=C\CC[C@@H](C)N1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1 13756360 CKIQSCJROIUFAT-LDCFLQFHSA-N 373.625 6.277 0 1 FKAF c1ccc2c(c1)ccn2CCCCN1[C@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2 13827362 RLKBETCYPSXCSX-YADARESESA-N 369.512 5.665 0 1 FKAF COC(=O)c1ccc(O)c(C[C@]2(C)[C@H](C)CC[C@]3(C)C(C)=CCC[C@@H]32)c1 14514723 TWZHUXQQMDYCHL-VAOHTUKJSA-N 356.506 5.520 0 1 FKAF biogenic C[C@]12CC[C@H](S)C[C@H]1CC[C@H]1C3=CC[C@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@H]12 27524141 AKVQZCLFNIRFEL-YDJOQWONSA-N 372.574 5.347 0 1 FKAF Cc1ccc(-c2ncc(C(=O)NCCC(C)C)nc2-c2ccc(C)cc2)cc1 28900218 DGPFCWKIBMZBAP-UHFFFAOYSA-N 373.500 5.203 0 1 FKAF in-vivo CCCCSc1cnc2c(c1)CC[C@H](c1ccc(Cl)c(Cl)c1)O2 29342459 XJVXACYZTOBQHF-QGZVFWFLSA-N 368.329 6.347 0 1 FKAF Cc1ccccc1-n1c(S)nnc1COc1ccc(-c2ccccc2)cc1 33857940 IEJWHJMHMBJJBJ-UHFFFAOYSA-N 373.481 5.110 0 1 FKAF CC(C)=C(/C=C\C(C)=C\C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C 37865713 HRGDLLOOEVWNOE-QBUIDEOGSA-N 352.518 6.416 0 1 FKAF O=c1oc2ccc3c(c2c(O)c1Cc1ccc2ccccc2c1)CCCC3 45290875 PTINTNGGKFMJLC-UHFFFAOYSA-N 356.421 5.121 0 1 FKAF O=C(c1cccc(Cl)c1)N1CC[C@@H]2C[C@H]1c1cc(-c3ccccc3)ccc12 61942471 SKLOZBBNUGXGTN-JPYJTQIMSA-N 373.883 6.082 0 1 FKAF C[C@H]1CCC[C@@H](NCc2coc(-c3ccccc3Br)n2)[C@@H]1C 72179989 YTDJPRCFNNVFHH-OGHNNQOOSA-N 363.299 5.018 0 1 FKAF C[C@H](c1cccc2ccccc12)N(C)Cc1ccc(OC(F)(F)F)cc1 96930044 NPCGCCKRSLASPG-OAHLLOKOSA-N 359.391 5.931 0 1 FKAF CC(=O)O[C@@H]1CC[C@H](CCCCCCCCCCCC[C@@H](C)O)N[C@@H]1C 141000130 RNRUHRONLFGPJY-KRXUUXHPSA-N 369.590 5.121 0 1 FKAF biogenic,in-vitro CC(C)(C)C1=NN(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(O)cc2)C1 299826005 DNQXPQJJJOHBAO-QGZVFWFLSA-N 362.395 5.765 0 1 FKAF Cc1ccc(-c2c(-c3ccccc3)cc(-c3ccccc3)n2CC(=O)O)cc1 299832843 UEFKMFPPTXTBKY-UHFFFAOYSA-N 367.448 5.882 0 1 FKAF CCNC(=O)NCCCCCCCCCCCCCCCCC(=O)O 299835959 XCQASYVGQDEBOH-UHFFFAOYSA-N 356.551 5.242 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4c(F)c(F)ccc4[nH]3)cc2)n1 587021073 HPTXJGQSCMHDMP-UHFFFAOYSA-N 373.453 5.565 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(Cl)cc2[nH]1 587044628 JGCFVKMTORDLRB-UHFFFAOYSA-N 357.624 5.207 0 1 FKAF COc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587065997 CUMIKTZNSFQVCM-UHFFFAOYSA-N 361.150 5.564 0 1 FKAF Cc1cnc(Cl)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c12 587083776 KXPSNUNXWPWWCQ-UHFFFAOYSA-N 355.228 5.302 0 1 FKAF Cc1ccc2c3c(cc(/C=C/N4CCCCCC4)nc13)-c1ccccc1C2=O 587098770 WCGGFDLVTXXPEG-NTCAYCPXSA-N 368.480 5.601 0 1 FKAF Cc1ccc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)s1 587102316 NKKYULAVHIPSJN-UHFFFAOYSA-N 355.462 6.100 0 1 FKAF O=Cc1ccc(/C=C/c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587205790 FOFNKTVXWGODFY-OUKQBFOZSA-N 361.400 5.429 0 1 FKAF CSc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587247552 ONVOOLDSVPNFRX-UHFFFAOYSA-N 359.454 5.204 0 1 FKAF CC(C)[C@]1(C)CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352596 MSQLLSTUZNOWOF-MZYLBHOOSA-N 368.448 5.475 0 1 FKAF Cc1cc(C(=O)Nc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cs1 587359766 JBUOMHBNSNDASW-UHFFFAOYSA-N 370.477 5.623 0 1 FKAF CCc1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)s1 587408522 CJCZXWMJHBBSRK-QFIPXVFZSA-N 363.482 5.110 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccccc4C)c1)[C@@H](C2)C3=O 587443496 AOZKHQLNUNTVHZ-RDPSFJRHSA-N 356.421 5.159 0 1 FKAF CCCc1cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)ccc1OC 587476942 GUUUSWQLVRZACJ-NRFANRHFSA-N 354.446 5.012 0 1 FKAF CCCc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC 587523630 LLIFVKCRRXWRMU-QHCPKHFHSA-N 364.485 5.623 0 1 FKAF O=C1C[C@@]2(CS[C@@H](c3cccs3)C2)Oc2c1ccc1c2CCCC1 587533001 SUWVJBLWQDGCRG-UYAOXDASSA-N 356.512 5.209 0 1 FKAF O=C1C[C@]2(CCCc3c2sc2ccccc32)Oc2c1ccc1c2CCCC1 587534671 DOISRAVTVFGSRV-DEOSSOPVSA-N 374.505 5.977 0 1 FKAF O=Cc1cc2sc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2s1 587538647 QVMDJFUQMKEQGO-INIZCTEOSA-N 368.479 5.361 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc2ccccc12 587616360 CDAJRYHFWRJRHK-SIKLNZKXSA-N 374.417 5.310 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)cc2F)[nH]c2c(C)cc(Cl)cc12 587624138 DSSCNCLHQLRVDY-UHFFFAOYSA-N 366.219 5.766 0 1 FKAF CCOC(=O)c1c(-c2ccc(F)c(F)c2)[nH]c2ccc([C@@H](C)CC)cc12 587639964 BARJVKNZPRBMRF-LBPRGKRZSA-N 357.400 5.803 0 1 FKAF Cc1cccc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 587801734 HXCUISBLZAIOMI-NSPYISDASA-N 373.269 5.002 0 1 FKAF CCCc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587821446 VCEBDVLQIDEUMH-BLVKFPJESA-N 362.286 5.164 0 1 FKAF Cc1ccc(-c2ccc(-c3nc(-c4ccc(C)c(C)c4)cs3)cc2)cc1 587920888 PRPJVHHRWWGOFT-UHFFFAOYSA-N 355.506 7.069 0 1 FKAF CSc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1 587925860 VEBHUFWOSVMKMJ-UHFFFAOYSA-N 354.525 5.733 0 1 FKAF Cc1cc2c(cc1F)[C@H](c1ccc(N(C)c3ccccc3C)cc1)NCC2 962086750 AINKTZYNYNMDCY-DEOSSOPVSA-N 360.476 5.446 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2oc3ccc(OC)cc3c2C)N1 962949234 DUCOKBQYOLVSRO-MYYSRTQBSA-N 374.484 5.419 0 1 FKAF CC(C)c1cc([C@@]2(C(C)C)c3c(F)cccc3C[C@@H]3CCCN32)ccc1O 963108458 PFHHNSZIACTGEF-CYFREDJKSA-N 367.508 5.575 0 1 FKAF C[C@]12CC[C@@H]3[C@H]4CCC(F)(F)C[C@H]4CC[C@@]3(C)[C@@H]1CC=C2n1ccnc1 1772585525 SMDFRXBQPIYDDX-OVDOOKCHSA-N 360.492 6.012 0 1 FKAF COc1cc(C=Cc2ccccc2)cc(O[C@]2(C(C)C)CC=C(C)CC2)c1 2356477703 FHNNVZMWQSSCHB-RUZDIDTESA-N 362.513 6.769 0 1 FKAF Cc1ccc2[nH]cc(CCNC(=O)c3ccccc3Nc3ccccc3)c2c1 2382228318 AZYYTQZIXMYIPW-UHFFFAOYSA-N 369.468 5.192 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 1757531 RPKLZQLYODPWTM-AFBOOOPYSA-N 360.582 6.536 0 1 FKAF CN(C)CC[C@H](OC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 13684616 NHZQSQXKZNYYSW-NRFANRHFSA-N 367.876 5.343 0 1 FKAF COc1cccc(-c2ccc3c(c2)NC(=O)/C3=C\c2cc3c([nH]2)CCCC3)c1 13809118 NHBNPOFEIABVTF-STZFKDTASA-N 370.452 5.062 0 1 FKAF CC(C)c1ccc(CN(CCCCN)Cc2ccc(C(C)C)cc2)cc1 27656822 GTMIEGZSNDYQBB-UHFFFAOYSA-N 352.566 5.675 0 1 FKAF COc1ccc(Oc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(C)CC4)cc1 28230893 PLUHQFRZUCCQIZ-QPTUXGOLSA-N 363.501 5.176 0 1 FKAF C[C@@H]([C@@H](c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)N(C)C 28344000 ZZGVWUSRXVYCSC-JTSKRJEESA-N 365.521 5.001 0 1 FKAF CCCc1cc(N)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2n1 36351741 RRYDBJNIWFNDQU-UHFFFAOYSA-N 373.378 5.041 0 1 FKAF COc1ccc(C[C@H](Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 40950687 SDAWROHZJFECJP-DEOSSOPVSA-N 368.480 5.585 0 1 FKAF CCN(CC)CCOc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1 40980402 WXOJCIMYUMWKPK-UHFFFAOYSA-N 360.457 5.369 0 1 FKAF CCCC[C@@H](Sc1ccc(OCCCOc2ccccc2)cc1)C(=O)O 43064211 MHFJMHMWBKXGQA-HXUWFJFHSA-N 374.502 5.270 0 1 FKAF Cc1ccc(-c2cccc(COc3ccc(CCC(=O)O)cc3)c2)c(C)c1 66112795 YGEKQWURSPHMGB-UHFFFAOYSA-N 360.453 5.567 0 1 FKAF COc1ccc(F)c([C@H](Nc2ccc(F)cc2F)[C@@H]2CCCCC2=O)c1 66258948 ZEAXPHLFWYGMJF-JLTOFOAXSA-N 363.379 5.025 0 1 FKAF CC(C)c1ccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 72107605 XCAIPNRGLQIZEN-XMMPIXPASA-N 351.534 6.139 0 1 FKAF CC[C@H](C)Cn1c(-c2ccoc2)nc2c(NC3CCCCCC3)ncnc21 82190661 PLQCKFWCVKGNGW-HNNXBMFYSA-N 367.497 5.267 0 1 FKAF Cn1c(C(=O)Nc2ccccc2F)nc(-c2ccccc2)c1-c1ccccc1 96914893 WDIIWXZURYFGPP-UHFFFAOYSA-N 371.415 5.146 0 1 FKAF Cc1nc(C(F)F)c(C(=O)Nc2ccsc2[C@H](C)CC(C)C)s1 103197684 TWYFNXVNUVZDET-SECBINFHSA-N 358.479 5.853 0 1 FKAF O=C(O)CCCCCCCCCCC[C@@H]1C[C@H]2[C@@H]3[C@H]4[C@H]5CC[C@H]5[C@H]4[C@H]3[C@H]12 231930527 ZPDCFDULRXOVLT-MKVDZGGHSA-N 358.566 6.146 0 1 FKAF Nc1c(F)cc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc1F 299861040 HNNNBDZAFRVVTL-UHFFFAOYSA-N 365.339 5.056 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1 586964330 YAMFKKRRCBTODE-JTQLQIEISA-N 365.271 5.459 0 1 FKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccccc2[nH]1 586982560 LZUKUAZUQMJQAU-HNNXBMFYSA-N 357.295 5.698 0 1 FKAF Brc1ccc(NCCc2nc3cc4ccccc4cc3[nH]2)cc1 586996214 SYGDTJHQYANJID-UHFFFAOYSA-N 366.262 5.133 0 1 FKAF Cc1cc2nc(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)[nH]c2cc1C 587031981 XCYHEZFNUNDSCP-CYBMUJFWSA-N 361.514 6.139 0 1 FKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4cnc(Cl)cc4[nH]3)o2)c1 587052119 ZVOSVARFYLCRJU-UHFFFAOYSA-N 364.619 5.845 0 1 FKAF Fc1cccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587072309 XZZFINHXCQPUGA-UHFFFAOYSA-N 352.796 5.601 0 1 FKAF FC(F)(F)CSc1cc(-c2nc3cc4ccccc4cc3[nH]2)ccn1 587093705 QUAFBBXKDZMIAJ-UHFFFAOYSA-N 359.376 5.433 0 1 FKAF CC(=O)Nc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104999 YYHNRKRKKQORQC-UHFFFAOYSA-N 364.404 5.072 0 1 FKAF COc1cccc2c1CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587107137 OSHIUJADXDHWNN-UHFFFAOYSA-N 363.416 5.220 0 1 FKAF Cc1cc(Br)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)cc1F 587137872 POHDBCROBDPSTG-UHFFFAOYSA-N 373.147 5.459 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587170588 RAQBDIHRQCBFNI-MRVPVSSYSA-N 356.253 5.300 0 1 FKAF C[C@]1(c2ccccc2)C=Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587206246 BQMIZZDVEPKIKI-MHZLTWQESA-N 373.455 5.973 0 1 FKAF Nc1ccc2oc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cc2c1 587252684 IWVMHVSMIOAAEV-UHFFFAOYSA-N 357.438 5.710 0 1 FKAF Nc1c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc2ccccc12 587253206 DLUVZWXXSRDDNR-UHFFFAOYSA-N 367.477 6.117 0 1 FKAF Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587348679 AMTHDMHLPWIXOM-FYYLOGMGSA-N 362.400 5.114 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)C[C@H]2CC3)c1 587367834 XQPRCQYRHYYDST-MYYSRTQBSA-N 355.437 5.880 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(CCc3ccccc3)cc1)O2 587406184 QPCKKJFWNZBMLD-VWLOTQADSA-N 371.480 5.243 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Cl)ccc2C[C@@H]1C 587461437 KGCOIKMHWBMWFG-QKVFXAPYSA-N 356.849 5.051 0 1 FKAF Cc1cc(C)n(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)n1 587516471 UBYYRMXGNCXABT-HSZRJFAPSA-N 372.468 5.074 0 1 FKAF CC1(C)CCc2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2C1 587536529 VWPMHQRLDJSKEA-GOSISDBHSA-N 367.514 5.243 0 1 FKAF C[C@H]1C[C@@H](C)C[C@H]([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587604175 UZKMYNQDEVLLQY-AYDUHDPISA-N 366.457 5.185 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C[C@@H]1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604323 SQDPVDHSIPSITM-YPXIBEPNSA-N 366.457 5.185 0 1 FKAF CCC[C@H](c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604762 YBXWVXCLCYFSHP-JKHABCDFSA-N 374.436 5.306 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(C)C)c(-c3ccccc3Br)c2c1 587638928 JXVWPBFVADCFIT-AWEZNQCLSA-N 370.334 7.234 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2Cl)N1 587733902 SSPJVMBZJJJXBF-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](C)CC(C)(C)C2)N1 587822218 JGXJMXXJEFTKON-SOZUMNATSA-N 354.307 5.164 0 1 FKAF CC1=C[C@@]2(CC(C)(C)C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587824808 YUFMCUVDLMEIRO-XIKOKIGWSA-N 352.291 5.084 0 1 FKAF Fc1ccc2c(c1)-c1cc(n(-c3nc4c5c(ccc4s3)CCCC5)n1)O2 587876342 NTHXRMNVISAHJY-UHFFFAOYSA-N 363.417 5.273 0 1 FKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587925996 FIRMSIUAWDHSSW-LBPRGKRZSA-N 365.260 5.429 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(C)c(Cl)cc3[nH]2)cc1 587931595 BJRPXCDZRISPGV-OAQYLSRUSA-N 362.860 5.714 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 587932342 NUUNQOXZOKRFKK-UHFFFAOYSA-N 368.358 5.924 0 1 FKAF COc1cccc(C(=O)c2ccc(-c3nc4c(C)ccc(C)c4[nH]3)cc2)c1 587933090 UPYSSXHCTUZDJQ-UHFFFAOYSA-N 356.425 5.086 0 1 FKAF CCC[C@H](c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1)C(C)C 587954604 BOWBKRFVILIWCA-LBPRGKRZSA-N 367.287 5.042 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4[C@@H](Cc4ccccc4)C[C@H]3[C@@H]1CCC2=O 653692105 GMWWIECUBWJENW-PNLNHXMZSA-N 360.497 5.601 0 1 FKAF CCCCCCc1ccc([C@@]2(C)NCCc3c2c(C(C)C)nn3C)cc1 962916035 WVHPBLVUYQAHRO-HSZRJFAPSA-N 353.554 5.076 0 1 FKAF C[C@]1([C@@H]2C[C@H]2c2ccc(Cl)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963114519 VMHWOMJKJLBIGD-VWNVYAMZSA-N 355.884 5.519 0 1 FKAF C=C[P@](=O)(Nc1cc(-c2ccc(Cl)cc2)sc1C(=O)O)OCC 1857599255 NXUJCNOIYBLKQP-JOCHJYFZSA-N 371.782 5.552 0 1 FKAF Clc1ccc([C@@H](Cn2ccnc2)OCc2nc3ccccc3s2)cc1 2382245569 XNBNJRWSRUFVTF-QGZVFWFLSA-N 369.877 5.104 0 1 FKAF COc1cccc(-c2cc3c(Nc4ccc(OC(C)C)cc4)nccc3[nH]2)c1 82083778 NLDATJCDRTYFCB-UHFFFAOYSA-N 373.456 5.769 0 3 FKAF Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(C)CCc1ccccc1 95568338 GOGIGBZOEFMTAL-DEOSSOPVSA-N 372.512 5.158 0 3 FKAF O=C1Sc2cc3ccccc3cc2C(=O)Sc2cc3ccccc3cc21 1656607 LFCXOXKKNZBHGK-UHFFFAOYSA-N 372.470 6.171 0 1 FKAF CCCC[C@H](Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC 3824801 LHWOHGLWUXQYSV-JOCHJYFZSA-N 369.549 5.418 0 1 FKAF Clc1ccc2nc(N[C@H]3CCC[C@H](NCc4ccsc4)C3)ccc2c1 28950886 QJOHOVJJLBWDON-ROUUACIJSA-N 371.937 5.463 0 1 FKAF CCCCC(=O)c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12 35942222 CVYHIYQAMOZBDT-KOCGSJPCSA-N 354.490 5.190 0 1 FKAF O=C(c1ccco1)[C@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40972896 LJSXUNFLSHJCEQ-OAQYLSRUSA-N 369.376 5.124 0 1 FKAF CSc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1 49785360 SNUAJIKHMBJYJY-JOCHJYFZSA-N 362.473 5.903 0 1 FKAF CN(CC1CCCCC1)[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 72103383 UCTIAVHYLKOPAF-LJQANCHMSA-N 363.427 5.097 0 1 FKAF Fc1ccccc1Nc1nc2c(-c3nc[nH]n3)cccc2c2sccc12 84634534 VHYFSZXXVNRARV-UHFFFAOYSA-N 361.405 5.117 0 1 FKAF O=c1cc(CSc2nc3ccccc3s2)oc2ccc(Cl)cc12 96911292 PEIFTPCOVUXINT-UHFFFAOYSA-N 359.859 5.348 0 1 FKAF Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3ccccc3N2C(=O)C(C)C)cc1 104004636 GDKJHTKFSXFRIF-HSZRJFAPSA-N 374.484 5.807 0 1 FKAF C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1 137656612 QJVGPUYCCNEQKK-QOIUVBHFSA-N 369.549 5.534 0 1 FKAF C[C@@H](F)c1nn2cc(-c3cc4c(Cl)cc(Cl)cc4o3)nc2s1 143844314 LPUNCLDVAIJMDW-ZCFIWIBFSA-N 356.209 5.541 0 1 FKAF Clc1ccc2c(NCc3ccccc3)nc(NCc3ccccc3)nc2c1 168866703 SQSQOERLTRPQGD-UHFFFAOYSA-N 374.875 5.507 0 1 FKAF CC1(C)C2=CC[C@@H]3[C@H]4CC[C@H](OC5CC5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC[C@@H]1O 253633441 MRAKBRVMYBYECZ-GIVHRDGCSA-N 358.566 5.494 0 1 FKAF CC(C)c1cc(-c2nc3ccnc(Br)c3[nH]2)c(O)c(C(C)C)c1 586895995 FNKOGAPNUIZKFH-UHFFFAOYSA-N 374.282 5.340 0 1 FKAF Oc1ccc2scc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2c1 587032351 IIQMKGGWRCLWBZ-UHFFFAOYSA-N 352.312 5.308 0 1 FKAF COc1cccc(-c2c(C)c(-c3ccnn3C)nc3c2oc2ccccc23)c1 587363951 QUMHQNMWOPWWJR-UHFFFAOYSA-N 369.424 5.366 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1Cl)(C(C)(C)C)O2 587385469 OHCKKDMXQWEVEV-FQEVSTJZSA-N 361.844 5.277 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cccc1Cl)CC2=O 587460267 LNQMMZZEAIGECZ-MRXNPFEDSA-N 351.229 5.358 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC(C)C)(c1ccccc1C)CC2=O 587487538 FKJZNFSYMLDXRW-HSZRJFAPSA-N 352.474 5.560 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)sc3ccccc13)CC2=O 587496029 RCVGAQGMFSFNCC-QFIPXVFZSA-N 366.482 5.748 0 1 FKAF COc1ccc(Cl)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587504281 WGDIOPOOFSPHPK-NRFANRHFSA-N 356.849 5.108 0 1 FKAF O=C1C[C@H](c2cccn2-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587510764 WCOAGAYKBAZSLA-JOCHJYFZSA-N 361.416 5.202 0 1 FKAF C/C(=C\c1ccccc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815179 KKYFDESODJEERR-LMVDFVEPSA-N 374.297 5.441 0 1 FKAF COc1ccc(/C=C\Cc2nc3cc(Cl)c(Cl)cc3[nH]2)c(OC)c1 587929741 PIFGSCIVXBTRAQ-ARJAWSKDSA-N 363.244 5.143 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2c(Cl)c(Br)cnc2[nH]1 587956175 YSZPNYQVSLZFNR-UHFFFAOYSA-N 364.674 5.008 0 1 FKAF CCOc1cc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)ccc1OC(C)C 963106285 RHVBDZUKYQLSHZ-XXBNENTESA-N 369.480 5.122 0 1 FKAF Fc1ccc2sc3c(c2c1)CCN(Cc1cnccc1-c1ccccc1)C3 1772579722 DCZBMLOWMBWVGC-UHFFFAOYSA-N 374.484 5.661 0 1 FKAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](SC(=N)N)CC[C@]4(C)[C@H]3CC[C@]12C 1857623342 BVOSELRYSDLZIT-MPLGGSBOSA-N 374.594 5.150 0 1 FKAF Cc1ccc2c(c1)c(CN1CCCCC1)cn2Cc1ccc(Cl)cc1 1857757763 LRAFONLWYFRVHP-UHFFFAOYSA-N 352.909 5.637 0 1 FKAF CC1=C[C@H](CNCC(C)C)[C@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356286909 SEVWXXBPRGOORX-NJYVYQBISA-N 367.581 5.514 0 1 FKAF CC(=O)OCC=C(C)CC[C@@H]1C(C(=O)O)=CC[C@@H]2C(C)(C)CCC[C@@]12C 2356752775 QCCOWTLREYYOFG-KNKQGSTJSA-N 362.510 5.140 0 1 FKAF O[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 61927941 IXCZDEBCUXWWMQ-HNNXBMFYSA-N 371.330 5.189 0 3 FKAF COc1ccc(C(=O)c2oc3cc(-c4ccccc4)cc(O)c3c2C)cc1 27077696 DFUBMGVURIBRSD-UHFFFAOYSA-N 358.393 5.353 0 1 FKAF CC(C)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 27103675 ISOORHISZYRNCF-UHFFFAOYSA-N 357.457 5.342 0 1 FKAF Clc1cccc2[n+]1[C@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2ccccc21 27109107 RLTTTWDHHVWAAZ-RBBKRZOGSA-N 374.847 5.238 0 1 FKAF C=CC(=O)O[C@H]1CCC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)=C1C 40466734 DDTNREZXXOVWPW-ORGWOOJJSA-N 370.489 5.310 0 1 FKAF Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)[C@H](C)C3)cc2)c1C 52962030 JLEBPSNYUGYMNN-QGZVFWFLSA-N 374.532 5.044 0 1 FKAF COc1ccc(Oc2cncc(NCc3ccccc3)n2)c2ccccc12 82068814 AJOWVLCDEATKFF-UHFFFAOYSA-N 357.413 5.043 0 1 FKAF Clc1ccc(-c2c[nH]c(CNc3ccnc4cc(Cl)ccc34)n2)cc1 95560049 JPMKTHCRXXPJCW-UHFFFAOYSA-N 369.255 5.544 0 1 FKAF CN1[C@H]2CC[C@@H]1C[C@H](CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100897378 USTUNSNQMDWSMK-XRMCVISESA-N 371.471 5.334 0 1 FKAF O=C(C[C@@H](Nc1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O 103170285 JOOQNLLABYGUMX-OAQYLSRUSA-N 369.420 5.219 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2c(Cl)cccc2Cl)CCC1 103921614 WRITYSVLZYXRBG-IBGZPJMESA-N 359.256 6.229 0 1 FKAF O=C1NC(=O)/C(=C\c2cccc(OCCC3CCCCC3)c2Cl)S1 115792600 ZOMBFYLBDYIMSF-RVDMUPIBSA-N 365.882 5.013 0 1 FKAF C[C@H](N=O)c1cccc(C(C)(C)NC(=O)Nc2ccc3cccnc3c2)c1 169728274 PESDOJUUKFOYAA-AWEZNQCLSA-N 362.433 5.119 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](c1ccccc1)C3 586989780 FBIHIBXEEIMKLJ-HNNXBMFYSA-N 363.416 5.034 0 1 FKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cnc(Cl)s3)nc2c1 587022903 DPRFEWLFDCIICM-UHFFFAOYSA-N 371.693 5.377 0 1 FKAF COc1cc(-c2nc3cc(C)c(F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046265 ONLMSKHLDVJWCT-UHFFFAOYSA-N 362.832 5.374 0 1 FKAF COc1cc(/C=C/c2nc3ccc(C)nc3[nH]2)cc(Cl)c1OCC(C)C 587046856 NMRNALISRLATII-SOFGYWHQSA-N 371.868 5.134 0 1 FKAF CC(C)Oc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587092957 IXVOXLQAZFZMBQ-UHFFFAOYSA-N 367.396 5.067 0 1 FKAF Cc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2c(C)n1 587094853 JTCDTUUDVDZQSW-UHFFFAOYSA-N 359.273 5.279 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1cccc3c1[C@H]4CCC3)-c1ccccc1C2=O 587100454 KTJOUVCWTJUPEV-GOSISDBHSA-N 373.455 6.203 0 1 FKAF CCc1c(Cc2ccco2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101704 OXKYEAZXZVOXQI-UHFFFAOYSA-N 353.421 5.501 0 1 FKAF CCCCc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587206186 KRQZIJQSPGHLMJ-UHFFFAOYSA-N 363.460 6.456 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)c(Cl)cc(C)c1Cl)O2 587374912 KIVBWKXXGBGYQY-LJQANCHMSA-N 364.272 5.381 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c4c(cccc14)CC3)CC2=O 587480472 KSKBWXPXKYENES-JOCHJYFZSA-N 358.437 5.303 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccsc3)cc1)CC2=O 587495923 QKOMMUOMAYTJMT-OAQYLSRUSA-N 364.466 5.780 0 1 FKAF O=C1C[C@@]2(CCC[C@H]2CCc2ccccc2)Oc2c1ccc1c2CCCC1 587521934 DRHAZNSLJKWOLX-NBGIEHNGSA-N 360.497 5.702 0 1 FKAF CC[C@@H](OC)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522935 MDPFNKPXHSTYOW-ISKFKSNPSA-N 364.485 5.544 0 1 FKAF CCCCC[C@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587534591 WLMVDKSVBGEHQS-XMMPIXPASA-N 364.485 5.712 0 1 FKAF CCCCc1c(-c2c(O)cc(OC)c(Cl)c2O)[nH]c2cc(F)ccc12 587632907 NNLAWNNSRNKNKC-UHFFFAOYSA-N 363.816 5.390 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(F)F)c2)N1 587717637 LUZGUTLSABNPBX-FVMDXXJSSA-N 370.212 5.149 0 1 FKAF CC/C=C(/c1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821416 UVXBXJVWXKPJJV-LCLOJNIXSA-N 374.297 5.657 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(Br)c(F)c2[nH]1 587952947 YDBFRETWSRQQIM-WDMOLILDSA-N 369.278 5.511 0 1 FKAF C/C(=C\c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C1CCCCC1 587967864 MZLDBUUOTUWPQH-JXMROGBWSA-N 358.791 6.099 0 1 FKAF CCC[C@]1(c2ccc(Br)cc2)NCCc2ccc(F)c(C)c21 962296376 GENRFANFRMSHHI-LJQANCHMSA-N 362.286 5.086 0 1 FKAF Fc1cccc2c1[C@H](c1ccc(Cl)nc1C(F)(F)F)N1CCC[C@H]1C2 963100729 JBDVORVGNUDAFI-ZBEGNZNMSA-N 370.777 5.003 0 1 FKAF COc1cccc(-c2ccc3c(c2)[C@@H]2CCN(Cc4ccccc4)[C@@H]3C2)c1 1772641655 DLPCNLBLTYEROQ-PXDATVDWSA-N 355.481 5.797 0 1 FKAF CC1=C[C@H](CNC2CCC2)[C@@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356287344 HILXSGUSLUJUQM-SFHLNBCPSA-N 365.565 5.411 0 1 FKAF COc1c2ccoc2c(OCC=C(C)CCC=C(C)C)c2oc(=O)ccc12 2356616693 CTPXXQMJFXTTQZ-UHFFFAOYSA-N 368.429 5.619 0 1 FKAF CCCCCC[C@H](CC)CN(C(=O)Oc1ccccc1)c1ccccc1 203472979 ARHDDTJEDFCRMB-FQEVSTJZSA-N 353.506 6.689 0 3 FKAF COc1ccc2[nH]c(C(=O)c3cccc(SC(F)(F)F)c3)cc2c1 13470987 JLDNSCGGYXUYRL-UHFFFAOYSA-N 351.349 5.019 0 1 FKAF CCCC(=O)c1cnc2c(OC)cc(O)cc2c1Nc1ccc(F)cc1C 13742212 OQHJZOLVFMRRND-UHFFFAOYSA-N 368.408 5.123 0 1 FKAF Cc1cccc2c([C@@H](O)[C@H]3CCCCN3)cc(-c3ccc(Cl)cc3)nc12 27524202 PCDPGQIUKYMHHO-DENIHFKCSA-N 366.892 5.039 0 1 FKAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccncc1 27624918 XAAZZZPPMNDFEH-CBKGXOFQSA-N 351.534 5.489 0 1 FKAF CCCC/C=C/CCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 27761951 YUARJAOYWUNVQS-LTPVEEIWSA-N 354.534 6.682 0 1 FKAF CC(C)c1ccc(CN2CCC(CCCC(=O)c3ncco3)CC2)cc1 29126380 QJPYHMDMBYNWSJ-UHFFFAOYSA-N 354.494 5.063 0 1 FKAF CC[C@H](NCc1coc(-c2ccc(Br)cc2)n1)c1ccccc1 72183878 PHOAUSZZROPKLL-SFHVURJKSA-N 371.278 5.345 0 1 FKAF C[C@@H](CNc1cc(Oc2ccc3ccccc3c2)ncn1)c1ccccc1 82068345 DOBWFQYKGQLIQL-KRWDZBQOSA-N 355.441 5.638 0 1 FKAF Brc1ccc2[nH]c(-c3cc(-c4ccccc4)ccn3)nc2c1 299841250 YUFRWVUMEKBUPN-UHFFFAOYSA-N 350.219 5.054 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 586963867 RGUOIWAAPQDTFL-NSHDSACASA-N 352.381 5.456 0 1 FKAF Brc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cn1 587026328 TXAKQVDDBLOYTC-UHFFFAOYSA-N 356.248 5.116 0 1 FKAF Cc1c(Cl)ccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c12 587076283 UKEXJFWOMVXKPB-UHFFFAOYSA-N 357.244 5.339 0 1 FKAF CCOc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587097207 JMGZKODANCBMPM-UHFFFAOYSA-N 365.432 5.820 0 1 FKAF CC(C)(C)c1cccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c12 587108660 GWCYEMOELJDMIR-UHFFFAOYSA-N 362.351 5.244 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C=CC1(CCCCC1)C3 587208693 XYRJCDNLYPWHJY-UHFFFAOYSA-N 351.449 5.966 0 1 FKAF O=C1C[C@](c2ccncc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587504217 GRZIXFOAIQZMKO-XMMPIXPASA-N 373.427 5.009 0 1 FKAF Cc1c(C)c(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C 587526700 WZFOUNNJPAWSIT-RUZDIDTESA-N 362.513 5.988 0 1 FKAF Cc1ccc(C)c(-c2n[nH]cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527205 TXSLXXIYLWVBJI-QFIPXVFZSA-N 372.468 5.279 0 1 FKAF O=C1C[C@@H](c2csc(-c3ccsc3)n2)Oc2c1ccc1c2CCCC1 587535845 OTVGMSGEYAQOMP-SFHVURJKSA-N 367.495 5.457 0 1 FKAF CC(C)C[C@H](C)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602496 YENRSYINXCOPNJ-LYLBAIIYSA-N 354.446 5.185 0 1 FKAF Cc1c(-c2cc(F)cc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587623008 WIOPSGBCRPWMIZ-UHFFFAOYSA-N 362.177 5.060 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(C)C3(C)C)N1 587819640 WFUHHOGLPLTXBI-DRJHQHNCSA-N 366.318 5.164 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(Cl)cc(F)c3[nH]2)cc1 587938496 WMXVZHYSFBMBTC-IBGZPJMESA-N 366.823 5.544 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 587952772 XBSMOKMKXNVTKM-GHJWDPDVSA-N 364.873 5.049 0 1 FKAF Fc1cc(Br)cc2nc(/C=C/c3cccc4ccccc34)[nH]c12 587966354 BQAPEJDSOGOBRN-CMDGGOBGSA-N 367.221 5.788 0 1 FKAF CCCC1(CCC)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962953032 IYHUHYNGIFIEAR-UHFFFAOYSA-N 355.444 5.152 0 1 FKAF CCC(C)(C)[C@]1(c2cccc(F)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963101680 DXAPRANQVVRTMD-REWPJTCUSA-N 355.472 5.665 0 1 FKAF COc1cccc(-c2ccc(CN[C@@H](C)Cc3cn(C)c4ccccc34)o2)c1 1857542206 XNQAYMOFBULCPG-KRWDZBQOSA-N 374.484 5.168 0 1 FKAF CCCNCc1cc(-c2ccccc2F)n2c1cnc1cc(Cl)ccc12 1857750584 XYYIJTZPJZHQDO-UHFFFAOYSA-N 367.855 5.447 0 1 FKAF CCCCCc1cc(OC(C)=O)cc2c1C(C)(C)C1=CC[C@@H](C)C[C@H]1O2 2356283755 AOEQFMLAFUZCHK-FOIQADDNSA-N 356.506 5.740 0 1 FKAF CC[C@H](O)CCCCCCCCCCCCCCc1cc(O)cc(O)c1 2356793330 HFFWSCZVRYYHHC-NRFANRHFSA-N 364.570 6.483 0 1 FKAF COc1ccc(NC(=O)c2ccc(-c3ccc(C)c4ccccc34)o2)cc1 8680098 DINSJQMWTWLBBX-UHFFFAOYSA-N 357.409 5.669 0 3 FKAF aggregator C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C=C[C@@]21C 13298408 KGXLWYQCBAUILI-DZRDUQNMSA-N 372.549 5.491 0 1 FKAF CN(C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)cc1 26292328 CXZPIXIEQVAZMV-UHFFFAOYSA-N 365.473 5.010 0 1 FKAF CC[C@@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26386648 DAXMFHJYAYLAJM-HDFHSODXSA-N 373.581 5.081 0 1 FKAF CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Oc2cccc(F)c2)cc13 28228492 NAICFMKORRPJNX-MDNUFGMLSA-N 351.465 5.306 0 1 FKAF CCCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C=O)c2c1 28651254 ISFGQEJVZXBRNE-UHFFFAOYSA-N 359.391 6.399 0 1 FKAF Fc1cccc2c(Oc3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]c12 72178402 MGAWRIUZCXPNSP-UHFFFAOYSA-N 372.226 7.073 0 1 FKAF c1ccc(C[n+]2ccn(-c3ccc(-c4cc5ccccc5o4)cc3)c2)cc1 84587108 ZIBYBDMFRHQIGL-UHFFFAOYSA-N 351.429 5.226 0 1 FKAF COc1cc2c(Nc3ccccc3F)ccnc2cc1-c1c(C)noc1C 95571589 CVBSGMKDMQGNAG-UHFFFAOYSA-N 363.392 5.398 0 1 FKAF Cc1nc([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)co1 118922712 MCSQKDICBVZIBS-QREMAQNESA-N 355.522 5.390 0 1 FKAF O=NCc1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1Cl 169719096 GRSIVPXYFIBMQQ-UHFFFAOYSA-N 374.831 5.726 0 1 FKAF Cc1ccc2c(c1)N[C@H](c1ccccc1Cl)[C@@H]1C(=O)CC(C)(C)CC1=N2 169722110 YSUCDOUMZGRCJO-LEWJYISDSA-N 366.892 5.893 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586963587 OUKVBKBUQNCRQJ-JTQLQIEISA-N 354.372 5.715 0 1 FKAF Cc1cccc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c12 586983326 YWEYPWUGGWMLTH-INIZCTEOSA-N 371.322 6.006 0 1 FKAF Nc1ccnc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc12 587074398 WVHRVPCWHWWDNT-SAPNQHFASA-N 374.875 5.367 0 1 FKAF Fc1cc2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2cc1C(F)(F)F 587086797 FXCFNAPHMXMFPW-UHFFFAOYSA-N 353.706 5.523 0 1 FKAF FC(F)(F)c1ccc(-c2nc3c(Cl)ccnc3[nH]2)c(C(F)(F)F)c1 587095434 YQQBITAYTKFQQX-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(C)(C)C)CC4)-c1ccccc1C2=O 587101526 UROYJKVKZPGCPY-INIZCTEOSA-N 369.508 6.296 0 1 FKAF Cc1cc(Cl)cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 587120539 NTZUYORHNJAYLU-UHFFFAOYSA-N 350.731 5.087 0 1 FKAF Fc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1F 587150812 SZVRXDOIWMTWNH-IBGZPJMESA-N 353.347 5.182 0 1 FKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(F)c(Cl)cc3[nH]2)cc1 587158508 NJILANJBMPMMST-UHFFFAOYSA-N 368.770 5.641 0 1 FKAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587164414 VCPZWDCJZOVXSQ-NRFANRHFSA-N 361.420 5.145 0 1 FKAF Cc1c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165821 LGIGKTJBXKVLHE-UHFFFAOYSA-N 374.246 5.990 0 1 FKAF Cc1onc(-c2c(F)cccc2Cl)c1C(=O)c1coc2ccccc12 587280937 JGSJCLKZKPHARN-UHFFFAOYSA-N 355.752 5.420 0 1 FKAF COc1cccc(-c2c([C@H]3CCCOC3)cnc3c2oc2ccccc23)c1 587365864 KJERBRUGANPFAK-INIZCTEOSA-N 359.425 5.551 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(C)C)c(C)c1)CC2=O 587488454 ZTGWNOVMWASASM-OAQYLSRUSA-N 354.446 5.147 0 1 FKAF O=C1C[C@@H](c2ccc([C@H]3CCCCO3)o2)Oc2c1ccc1c2CCCC1 587534623 WVMNSDICRZNYBX-NQIIRXRSSA-N 352.430 5.107 0 1 FKAF CC(C)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603522 QBRGGYZDRVDKHY-NFBKMPQASA-N 360.409 5.219 0 1 FKAF Fc1ccc2[nH]c(-c3ccc(Br)cc3)c(C3CC3)c2c1Cl 587629003 XUFLAULDSGVVBF-UHFFFAOYSA-N 364.645 6.267 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1ccc2ccccc2c1 587631825 WDFFFELZEKSGLA-UHFFFAOYSA-N 352.796 5.674 0 1 FKAF Cc1nc2c(Cl)cccc2c(Cl)c1Cc1c(C)[nH]c2cc(F)ccc12 587633982 RNJDQVGGGHMJJB-UHFFFAOYSA-N 373.258 6.370 0 1 FKAF Cc1cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587820785 RBJYCDRHUBLLEF-BFUOFWGJSA-N 362.286 5.137 0 1 FKAF CCC[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587824475 WZUYYOAUAHKFNW-RVZJWNSFSA-N 354.307 5.308 0 1 FKAF COc1ccc(C2(c3nc4cc(Cl)cc(F)c4[nH]3)CC3(CCC3)C2)cc1 587934448 AIJKLYZHEBWETQ-UHFFFAOYSA-N 370.855 5.614 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c2)cc1 587934573 DGOQPHIDYSGDOS-UHFFFAOYSA-N 356.469 6.203 0 1 FKAF COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3cccc4ccccc34)nc2c1 587967361 HKLPZZVCUQBUBL-MDZDMXLPSA-N 362.816 5.327 0 1 FKAF Cc1cc(C)cc(SCc2ccc(C(=O)Nc3ccccc3N)cc2)c1 1857540337 CEJGRXNVIYUAOO-UHFFFAOYSA-N 362.498 5.430 0 1 FKAF Cc1nc2cc(-c3ccc(F)cc3)ccc2c(=O)n1-c1cccc(Cl)c1 1857591152 UBKUKIUONWRXEB-UHFFFAOYSA-N 364.807 5.154 0 1 FKAF CN(c1ccccc1)c1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 1857769530 NLZMRABHYJADQP-UHFFFAOYSA-N 370.477 5.809 0 1 FKAF CC(=O)OC[C@@H]1CCO[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@H]2CC1 2356445255 ZQSXEOHDZPOEDT-LDNJSWSKSA-N 350.543 5.368 0 1 FKAF Clc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2)cc1 61923577 FTJXUDCCQJQLKX-UHFFFAOYSA-N 368.867 6.399 0 3 FKAF COc1ccc(-c2sc3ccccc3c2-c2ccc(OC)cc2F)cc1 95569954 PCKUJZZQPOHSQU-UHFFFAOYSA-N 364.441 6.392 0 3 FKAF CCCCCCN[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 254047063 JCVJZIOPZNIDLZ-AMFVFTMOSA-N 373.625 5.849 0 3 FKAF CCN(CC)C(=O)c1c(C)oc2cc3c(N(CC)CC)c(C)oc3cc12 719495 KBCKCTHUTSDPHD-UHFFFAOYSA-N 356.466 5.124 0 1 FKAF Fc1ccccc1-c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cnn1 3939413 UJBOQYCZTOTBAN-UHFFFAOYSA-N 363.342 5.290 0 1 FKAF CC(C)=CCC[C@]1(C)C=Cc2c(O)cc(O)c(C(=O)c3ccccc3)c2O1 13403605 VHBOXYDOVCZHPH-HSZRJFAPSA-N 364.441 5.240 0 1 FKAF biogenic CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(C(C)(C)C)cc1 29040534 DNBMVWQGNNBBFF-UHFFFAOYSA-N 351.368 5.159 0 1 FKAF CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(Cl)cc3)ccc2n1 36351702 WSVARIJKECKDOY-IZZDOVSWSA-N 365.864 5.075 0 1 FKAF COc1ccc([C@H](OC)c2cc3ccccc3cc2-c2cccnc2)cc1 40392174 XIGFQMNUIQRGSS-DEOSSOPVSA-N 355.437 5.646 0 1 FKAF Oc1cc(Cl)c(Cl)c(Cl)c1-n1cc(Cl)c(Cl)c1Cl 43024952 NTKHEOJBPXFULD-UHFFFAOYSA-N 365.858 6.103 0 1 FKAF biogenic,in-vitro Fc1cc(F)cc(CNc2cc(Oc3cccc4ccccc34)ncn2)c1 82068326 KHFMBYPPXBQBNA-UHFFFAOYSA-N 363.367 5.312 0 1 FKAF Cc1cnc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc(F)cc2)o1 82164157 XDGWVALTPSGQCU-SCLBCKFNSA-N 366.440 5.237 0 1 FKAF NC1(c2ccc(-c3ncc4ccncc4c3-c3ccccc3)cc2)CCC1 84705463 LODATPFQIYRJKC-UHFFFAOYSA-N 351.453 5.302 0 1 FKAF CCOC(=O)C1=C(c2ccccc2)N=C(CC)/C(=C(/O)SCC)[C@@H]1CC 100037862 AKZADXZKEFHHGK-MUNYZGMTSA-N 373.518 5.374 0 1 FKAF CCC[C@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccccc1)CCC3 113123145 QCPYELZVIGYJGN-INIZCTEOSA-N 365.498 5.729 0 1 FKAF O=C1c2ccccc2-c2cc([C@H]3C[C@@H]3c3cccs3)nc3ccc(O)c1c23 586992915 ARPUDQIYHGAYGZ-GJZGRUSLSA-N 369.445 5.484 0 1 FKAF Cc1c(Cl)ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 587233271 LABNKCLONVMPPY-TZMCWYRMSA-N 363.889 5.076 0 1 FKAF CC[C@@]1(c2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587503951 KYJVMPYNVUOEFN-NRFANRHFSA-N 358.840 5.629 0 1 FKAF O=C(O)c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783771 HEEQRVPMUBLOIG-MDWZMJQESA-N 370.408 5.011 0 1 FKAF Cc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587813811 DWSGVZQQRYUFPI-CWTRNNRKSA-N 362.286 5.003 0 1 FKAF CC[C@H](C)[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587823957 SPQYTEPIEFGNMY-VODUFIJXSA-N 368.334 5.554 0 1 FKAF CC1=C(C)C[C@H]([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587824456 WVPNGRWSWPPSQQ-WRSAYESZSA-N 352.291 5.300 0 1 FKAF Cc1ccc2oc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587833746 OUINNHRXNWWWFG-WLRWDXFRSA-N 374.253 5.266 0 1 FKAF Cc1cccnc1[C@H]1CCC[C@@]2(C1)NCCc1cc(-c3ccccc3)ccc12 962668702 QIAFXGFGHFRDQY-OZXSUGGESA-N 368.524 5.756 0 1 FKAF Cc1c(Sc2cccc(C(=O)O)n2)c2ccccc2n1-c1ccccc1 1772616791 LQMVWXSGABJAGE-UHFFFAOYSA-N 360.438 5.183 0 1 FKAF Oc1ccc2c(c1)-c1nc(-c3cccc(F)c3)cc(-c3ccccc3O)c1C2 1857576284 ARVYQVKSIRAJGL-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF FC(F)(F)c1cc(NC2CCCCC2)c2cccc(C(F)(F)F)c2n1 1857587943 BXVPSPNIWNLULZ-UHFFFAOYSA-N 362.317 6.017 0 1 FKAF O=C(CC(=O)c1cc(Cl)cc(Cl)c1O)c1cc2ccccc2s1 1857590842 RFTGMSFHGDAUFZ-UHFFFAOYSA-N 365.237 5.369 0 1 FKAF CCCCCc1c(CC=C(C)CCC=C(C)C)c(O)cc(O)c1C(=O)O 2356484784 HTQPMCFHAWZLFU-UHFFFAOYSA-N 360.494 5.764 0 1 FKAF CCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 13478183 ZKFMBNXOLWLPFN-RTBURBONSA-N 356.550 6.861 0 1 FKAF CCC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 13760806 LDHUJQQLZOCPOG-WYGYKLAHSA-N 360.582 5.766 0 1 FKAF CCCCCc1cc(O)c2c(c1C(=O)O)OC(C)(C)[C@@H]1CCC(C)=C[C@H]21 14722875 VITZNDKHSIWPSR-JKSUJKDBSA-N 358.478 5.434 0 1 FKAF biogenic CC[C@H](C)Nc1nc2ccc(-c3ocnc3-c3ccccc3F)cc2s1 29041801 DQNOLGWQCCASLA-LBPRGKRZSA-N 367.449 5.968 0 1 FKAF CC/C=C/[C@@H](CC)C/C(=C/[C@](O)(CC)C[C@](O)(/C=C/C(=O)O)CC)CC 33955046 LSVMTGUPGAJFCN-KSUSISPVSA-N 366.542 5.018 0 1 FKAF C[C@@H](N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1 40379455 UBCANUJMHQFBRX-BFUOFWGJSA-N 369.306 5.659 0 1 FKAF CC(C)(Br)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 95560261 XOUQOCZHDWMVGE-UHFFFAOYSA-N 355.316 5.343 0 1 FKAF CC(C)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1 95603631 GYVSDGRZPBXQQE-NJYVYQBISA-N 362.344 6.411 0 1 FKAF CN1[C@@H]2CC[C@@H]1CC(O[C@H](c1ccc(F)cc1)c1cccc(Cl)c1)C2 100834456 ISSICWWQXUMDRL-SFHLNBCPSA-N 359.872 5.210 0 1 FKAF CCCCC[C@](C)(O)/C=C/[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C/C=C\CCCC(=O)O 100930213 ZVXFCSQGGXYOEG-MKMAAHCHSA-N 362.554 5.737 0 1 FKAF ClC(Cl)(Cl)c1nc2cc(Br)ccc2n2cccc12 169348644 ASWOKVIAAAGSGC-UHFFFAOYSA-N 364.457 5.077 0 1 FKAF C[C@@H](N=O)c1ccc(Sc2cc([C@]3(C)COC(C)(C)O3)cs2)cc1 169713709 KADXHSAARFZZMI-XIKOKIGWSA-N 363.504 5.725 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2c(Br)ccnc2[nH]1 586879618 UWTAYYKLFQPVIR-UHFFFAOYSA-N 364.246 5.363 0 1 FKAF Cc1cc(C)c(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586990020 CEYJATCGAGZXRS-UHFFFAOYSA-N 367.404 5.141 0 1 FKAF CCCn1cnc2cc(-c3nc4cccc(C)c4[nH]3)cc(Br)c21 587002617 BSUJSBGQVAUMCE-UHFFFAOYSA-N 369.266 5.061 0 1 FKAF Fc1c(Cl)cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1F 587050030 OCVGGBSRUQSZGN-BQBZGAKWSA-N 373.617 6.072 0 1 FKAF COc1cccc(-c2ccc(-c3nc4cc(Cl)ncc4[nH]3)c(Cl)c2)c1 587051921 GPIINIVEXOAPIZ-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF Fc1cc(F)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 587083351 PNWUTHHJBREXRF-UHFFFAOYSA-N 350.155 5.363 0 1 FKAF CCCCOC(=O)CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096410 JQVVTEWZORPCCZ-UHFFFAOYSA-N 373.452 5.031 0 1 FKAF Cc1ccc2c3c(cc(CC(=O)c4ccccc4)nc13)-c1ccccc1C2=O 587100047 ZAAZXDGNLZOAPR-UHFFFAOYSA-N 363.416 5.180 0 1 FKAF CCCC[C@@H](O)c1nc2c(C)ccc3c2c(c1CCC)-c1ccccc1C3=O 587100470 AIGIGYJJJKBREE-HXUWFJFHSA-N 373.496 5.931 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587114411 TUZKWPUVNMHDNZ-SNVBAGLBSA-N 372.312 5.947 0 1 FKAF CC(C)(C)OC(=O)N[C@H](c1nc2cccc(C(C)(C)C)c2[nH]1)C1CCCC1 587225942 NUVNEFIKEZXQBH-KRWDZBQOSA-N 371.525 5.616 0 1 FKAF COc1cccc(-c2c(CC3CCCC3)cnc3c2oc2ccccc23)c1 587365717 IPIUWUHVXGWBQM-UHFFFAOYSA-N 357.453 6.389 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(c1c(F)cccc1Cl)CC2=O 587465318 HHFLONHZGAHYKX-FQEVSTJZSA-N 362.828 5.408 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccccn1)(C1CCCCC1)CC2=O 587487221 DWCLZOJXTSYSNT-HSZRJFAPSA-N 365.473 5.181 0 1 FKAF CC(C)N1CCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587513742 LCHNQKKGFXJMGQ-HSZRJFAPSA-N 361.485 5.043 0 1 FKAF O=C1C[C@@H](c2cc(-c3ccccc3)ccc2O)Oc2c1ccc1c2CCCC1 587534822 ZGHYKRAJYFXUOJ-DEOSSOPVSA-N 370.448 5.645 0 1 FKAF C[C@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 587628414 KHIAOGNWDXHYQC-QMMMGPOBSA-N 352.192 5.469 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)c(Cl)c3)c(CC(=O)O)c2c1 587640883 FSIKTMHTPWJFNS-NSHDSACASA-N 359.828 5.768 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)c(C)c3)c(C(=O)C(F)F)c2c1 587643248 SZXHRLOWMYQXNO-LBPRGKRZSA-N 355.428 6.413 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](c3ccccc3)C2)N1 587818633 RNUGGPBVPTWSHW-ZSOFBXJNSA-N 374.297 5.285 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccncc1Cl 587865179 RQYZUIDUOPJISI-UHFFFAOYSA-N 367.758 5.005 0 1 FKAF CCO[C@H](C)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923200 USPSIFUZHUPLKT-CYBMUJFWSA-N 366.461 6.195 0 1 FKAF Fc1cnc(Cl)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 587951102 WKLLYYJTZGZZBQ-ZHACJKMWSA-N 365.795 5.713 0 1 FKAF Clc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c(Cl)n1 587958472 FAIJIUGRESCOFM-UHFFFAOYSA-N 354.240 5.523 0 1 FKAF CC[C@H](C)[C@@H](O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCc1ccccc1 1772599480 FWGHIWBTCJDHCU-RCDICMHDSA-N 365.473 5.039 0 1 FKAF Oc1nc(-c2cccc(OCc3cccc(Cl)c3)c2)nc2ccccc12 1772646007 GKEGCENLCKBUOC-UHFFFAOYSA-N 362.816 5.235 0 1 FKAF CC(C)(C)C1CCC(C(=O)Nc2cc(O)cc(Cc3ccccc3)c2)CC1 1857769758 CCWRWOJMEQHYLN-UHFFFAOYSA-N 365.517 5.774 0 1 FKAF CCCCC=CCCCCCCCCCCC[C@]1(O)C=C[C@H](O)[C@H](O)C1 2356674203 ZDXBXVVAIFALIO-ZRBLBEILSA-N 366.586 5.437 0 1 FKAF COc1cc2[nH]c1C=C1C=CC(=N1)CCCCCCCCCc1ccc-2[nH]1 2356684723 WSBAYYSUBYBDQS-UHFFFAOYSA-N 363.505 6.047 0 1 FKAF C[C@@H]1CCCCC(=CCl)C[C@@H](C(C)(C)C)OC(=O)CC=CN(C)C1=O 2356799055 TXSKGOYJIQLKGC-WBVHZDCISA-N 369.933 5.029 0 1 FKAF CCOP(=O)(OCC)[C@@H](Nc1cccc(C)c1)c1ccc(F)cc1 6995576 WVRYZKBUNRHWCZ-GOSISDBHSA-N 351.358 5.511 0 3 FKAF COc1ccccc1CNc1nc(-c2ccccc2F)nc2ccccc12 753025 LLOWJXQNRNWBHI-UHFFFAOYSA-N 359.404 5.057 0 1 FKAF COc1ccc([C@H](c2ccccc2)[C@H](C)C(=O)c2c(C)cc(C)cc2C)cc1 1629260 FODRFNKXXDTGIV-CPJSRVTESA-N 372.508 6.271 0 1 FKAF FC(F)(F)c1ccc(-c2cc(Oc3cccc4cnccc34)ncn2)cc1 14974085 HIUCBKNFZVMJTK-UHFFFAOYSA-N 367.330 5.503 0 1 FKAF CC(C)Nc1nc2ccc(-c3ocnc3-c3ccccc3F)cc2s1 16052868 FQYJTHIYAQQJAB-UHFFFAOYSA-N 353.422 5.578 0 1 FKAF in-vivo CCCCCN1CCC2(CC1)c1cc(O)ccc1[C@](C)(CC)O[C@H]2CC 27751779 QGFMUXAMSWETGC-VXKWHMMOSA-N 359.554 5.350 0 1 FKAF Cc1ccc(-c2ccc3occ(-c4ccc(S(C)(=O)=O)cc4)c3c2)o1 45318595 LNDOEZBWGFYNJK-UHFFFAOYSA-N 352.411 5.072 0 1 FKAF C[C@H](Cc1ccccc1)NCCC1c2ccccc2CCc2ccccc21 45374195 XDNDLKMCEARGNF-HXUWFJFHSA-N 355.525 5.528 0 1 FKAF CCCN1CCC2(CC1)C(=O)c1cc(Cl)ccc1Oc1ccccc12 60051811 CGOUIJKVXDJLTI-UHFFFAOYSA-N 355.865 5.072 0 1 FKAF c1ccc2c(c1)N[C@@H](c1ccc3oc4ccccc4c3c1)[C@H]1CCCO[C@@H]21 72116993 HSLALPZCCXRVQM-DKLXNKCPSA-N 355.437 6.221 0 1 FKAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc2[nH]ncc12 82153714 MMTMWBLVVGVHLW-UHFFFAOYSA-N 365.440 5.040 0 1 FKAF O=C(CCCCCc1ccc(-c2ccccc2)cc1)OC[C@@H]1CCCCO1 84604413 UTZKLMVZTMLDLN-QHCPKHFHSA-N 366.501 5.569 0 1 FKAF C=C(c1ccc(C)cc1)c1cc(OC)c(OC)c(OC)c1-c1ccccc1 95593428 QGSNDLAOYWDBOU-UHFFFAOYSA-N 360.453 5.749 0 1 FKAF Cn1c([C@@H](O)Cc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 96914897 CPBPLQVNHWFYHM-NRFANRHFSA-N 354.453 5.030 0 1 FKAF CCCCN(CCCC)C(=O)/C=C/c1cccc2cc3c(cc12)OCO3 169349638 KHKKHPQRCQUIOX-ZHACJKMWSA-N 353.462 5.011 0 1 FKAF N#Cc1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 218301300 LWPFAOGAYMQGMX-QFIPXVFZSA-N 351.409 5.076 0 1 FKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC=C(C)[C@@H]2CC/C(C)=C/C(=O)O)C1(C)C 238741129 JAOSZJFNMXPMLX-POCKCDAGSA-N 362.510 5.138 0 1 FKAF Fc1ccc(CNc2nc(N3CCCCC3)nc3c(Cl)cccc23)cc1 299833429 KWQZKFNIDVACLG-UHFFFAOYSA-N 370.859 5.025 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586883392 IXZZRZZVWIEFIC-IYBGNGRRSA-N 356.469 5.262 0 1 FKAF FC(F)(F)C(F)(F)c1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cn1 586884161 OJRKNXSVGADPSY-ZSYFIWHWSA-N 371.353 5.080 0 1 FKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 586885305 AVLLFBTXNJLZNQ-HWPZZCPQSA-N 368.786 5.381 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(F)cnc4Cl)nc13)-c1ccccc1C2=O 586996178 NDSXYTFHUWQAHJ-UHFFFAOYSA-N 374.802 5.609 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587084044 SQRJVFFYKZFDFP-UHFFFAOYSA-N 361.876 6.243 0 1 FKAF Cc1ccc2oc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2n1 587108031 XMFFNSYLSMAHQF-UHFFFAOYSA-N 362.388 5.563 0 1 FKAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4ncccc4[nH]3)cc2)cc1 587111339 FDBJECZMYYUFOZ-UHFFFAOYSA-N 355.319 5.436 0 1 FKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc3c(cc2[nH]1)OCO3 587127753 ABMXIUIEONKMBN-UHFFFAOYSA-N 371.368 5.020 0 1 FKAF Cc1ccccc1[C@@H]1C[C@H]1c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208686 XWZIHGDFYOVBEE-LEWJYISDSA-N 361.444 6.026 0 1 FKAF CC[C@@H]1CC[C@H](C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350752 FEBHBILPVBWGBV-YANVNDTPSA-N 368.448 5.475 0 1 FKAF C[C@@H]1CC(C)(C)C[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351426 JUBPTJCRGDKIPQ-IJIZOXLDSA-N 368.448 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](c1ccccc1)c1cc(C)ccc1C)O2 587405477 LLECWNNKOIQQJS-BJKOFHAPSA-N 371.480 5.360 0 1 FKAF CCCCCC[C@@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450508 MIUZWISZNQZBAN-XXBNENTESA-N 366.457 5.014 0 1 FKAF O=C1C[C@H](c2cccc(C(=O)C3CCCC3)c2)Oc2c1ccc1c2CCCC1 587520882 BBZCCWYUASQHAO-HSZRJFAPSA-N 374.480 5.645 0 1 FKAF COc1cccc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)oc12 587532611 MBGXAUXYWRRMGB-HSZRJFAPSA-N 362.425 5.201 0 1 FKAF Cc1cccc(OCc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1C 587563382 COLDZFTYVSMFFZ-UHFFFAOYSA-N 358.441 5.338 0 1 FKAF Cn1c(-c2c(-c3ccccc3)[nH]c3c(C(=O)O)cccc23)nc2ccccc21 587637379 BZRPJMPJDNWIAN-UHFFFAOYSA-N 367.408 5.087 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cc(F)c(F)cc3[nH]2)c1 587780400 RZQDSAGYBWLWAL-UHFFFAOYSA-N 350.368 5.574 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C)Cc2ccccc2)N1 587820391 PEWDVAQEAUVGIU-VPZZIHKRSA-N 362.286 5.042 0 1 FKAF COc1cccc(-c2cccc(-n3c(O)cc(C4CCCCC4)c3O)c2)c1 587937810 NYNDQFBSLGAHGW-UHFFFAOYSA-N 363.457 5.612 0 1 FKAF CC(C)(C)Oc1ccc(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587944865 JCCDNOHLZDKBEC-UHFFFAOYSA-N 359.372 5.431 0 1 FKAF Fc1cc(Cl)cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587949818 KWWVSWJSINWPHT-UHFFFAOYSA-N 352.796 5.739 0 1 FKAF Clc1cc(Cl)c2c(c1)[C@@](Cc1ccccc1)(c1cccs1)NCC2 963120548 JXNXBIKUKZDRAY-FQEVSTJZSA-N 374.336 5.687 0 1 FKAF COc1ccc(-c2ccccc2C)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772643563 GYNQKUHQHVVVEQ-SFHVURJKSA-N 367.470 5.042 0 1 FKAF COc1cccc2[nH]ccc(=Nc3ccnc(-c4cccc(Cl)c4)c3)c12 1772652531 VVVKSTHXCPRXAA-UHFFFAOYSA-N 361.832 5.124 0 1 FKAF CC(C)(CCC(C)(C)[N@]1O[C@@H]1c1ccccc1)[N@]1O[C@H]1c1ccccc1 1857623529 ZVYPDPQJQPXXNB-WNXIRNOKSA-N 352.478 5.216 0 1 FKAF CCCCOC(OCCCC)[C@H](O)CSc1ccc2ccccc2c1 3965595 JGPWZMAMTWHBPZ-HXUWFJFHSA-N 362.535 5.252 0 1 FKAF COc1ccc(-c2cc(-c3cc(F)c(Cl)cc3Cl)[nH]n2)cc1OC 5800986 UKCMKBGZPFDRIA-UHFFFAOYSA-N 367.207 5.207 0 1 FKAF FC(F)(F)c1ccccc1-c1cc(-c2c[nH]nc2-c2ccccn2)ccn1 13684390 UZWIZAOVZCZVIT-UHFFFAOYSA-N 366.346 5.220 0 1 FKAF CC(=O)OC1=C(c2ccccc2)Sc2cc(Cl)ccc2-n2cccc21 13739862 ZIBHRXHKQRXPIY-UHFFFAOYSA-N 367.857 5.625 0 1 FKAF c1ccc(CNCc2nnc(-c3ccccc3-c3ccccc3)s2)cc1 26384717 RMTMYGXRQKRHSA-UHFFFAOYSA-N 357.482 5.162 0 1 FKAF CCC/C=C/CSC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28098065 QXBFRDGMYMBQMJ-XFTSCBPYSA-N 352.540 5.071 0 1 FKAF CCOC(=O)[C@@H](CC)c1nc(-c2ccc(Cl)cc2)oc1-c1ccco1 28223531 VJFFJWITUZDZBQ-AWEZNQCLSA-N 359.809 5.312 0 1 FKAF Fc1ccc(CCCCN2[C@H]3CCC[C@@H]2Cc2[nH]c4ccccc4c23)cc1 34616703 HFDHTQNBCFVPGS-XXBNENTESA-N 362.492 5.782 0 1 FKAF CCCC(CCC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O 43120319 CJZONCLALPIGBU-UHFFFAOYSA-N 361.917 5.707 0 1 FKAF Cc1cccc(C)c1CNc1nc(-c2ccccc2)cc2c(C)c(C)[nH]c12 49034085 ZTYNKXLNXRQPMB-UHFFFAOYSA-N 355.485 6.076 0 1 FKAF C[C@H]1CC=C[C@](C)([C@H]2CCC[C@@H](Cc3cc(O)cc(CCCO)c3)C2)C1 85543630 DVJZTXYZOKNCCM-MWYJAUPDSA-N 356.550 5.658 0 1 FKAF biogenic,in-vitro CC[C@@H]1CN(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]1c1cccc(F)c1 103190584 BOYAYDCAQXMQSM-PXAZEXFGSA-N 351.343 5.001 0 1 FKAF OCc1cccc(Nc2cc3ccc(-c4ccccc4Cl)nc3cn2)c1 169700089 XMUHLGNGUOLFNT-UHFFFAOYSA-N 361.832 5.186 0 1 FKAF CC(C)n1c(-c2ccccc2/C=C/c2ccccc2)nc2ccccc2c1=O 299864971 SHUHJTUKWIRSOT-WUKNDPDISA-N 366.464 5.815 0 1 FKAF Cc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586975660 PBIKGQBVOQOVTM-UHFFFAOYSA-N 356.050 5.608 0 1 FKAF FC(F)(F)c1cccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 587062066 AYCPSAKWFTXIGM-UHFFFAOYSA-N 363.726 5.557 0 1 FKAF Fc1cc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2cc1Cl 587073764 MGNSQPUNKWEWLW-QGZVFWFLSA-N 364.251 5.346 0 1 FKAF Fc1cc2[nH]c(-c3cc(Cl)nc4ccccc34)nc2cc1C(F)(F)F 587084546 BVLQXKNNKADMJI-UHFFFAOYSA-N 365.717 5.589 0 1 FKAF O=C1c2ccccc2-c2c(Cc3cccc(Cl)c3)cnc3cccc1c23 587104853 XPBZVFFIVUPNIJ-UHFFFAOYSA-N 355.824 5.690 0 1 FKAF Cc1c(Cl)ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587124212 JMLGKDXUUZDSRW-WTKPLQERSA-N 368.811 6.307 0 1 FKAF Cc1cc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cc1Cl 587167027 FNTXBCRLMGCPQN-QGZVFWFLSA-N 372.831 5.033 0 1 FKAF Fc1ccc2[nH]c(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c(Cl)c2c1 587173326 BOSXPTZQCGGWDI-UHFFFAOYSA-N 355.587 5.206 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CC[C@@H](C3)N2C)c1 587362044 AWRRNAQKSNUCRN-HNAYVOBHSA-N 370.452 5.348 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)c1ccccc1C(F)(F)F)O2 587381441 IZMYTDSFWNBJHT-HXPMCKFVSA-N 363.379 5.124 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(C)c1Cl)CC2=O 587461238 RHYXNLBMSCCADM-QGZVFWFLSA-N 365.256 5.666 0 1 FKAF O=C1C[C@]2(CCc3c(Cl)cc(F)cc32)Oc2c1ccc1c2CCCC1 587508472 PQBABIOPBLMSBP-NRFANRHFSA-N 356.824 5.165 0 1 FKAF CCCCC(CCCC)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600921 DBXDWLCEIJNBJE-REWPJTCUSA-N 368.473 5.719 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cnn(C)c3C)c(C(=O)C(F)(F)F)c2c1 587640823 JPKWOVGGSSCBQP-JTQLQIEISA-N 363.383 5.135 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cccc(Cl)c3C)c2c1 587642886 WUIHXLDYEYQDEO-LBPRGKRZSA-N 354.881 6.204 0 1 FKAF Cc1cc(F)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 587784341 QJZZTEQZUMNUST-XFXZXTDPSA-N 358.416 5.760 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2C(C)(C)C2(C)C)N1 587813164 BQVJSSSNYBEYHB-XTZNXHDOSA-N 354.307 5.020 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1Cc1cccc(C(F)(F)F)c1 587871371 VCHJCGSHXPGEPO-UHFFFAOYSA-N 364.342 5.155 0 1 FKAF Fc1ccc2c(c1)-c1cc(n(/C(=C\c3ccccc3)c3ccccn3)n1)O2 587873779 MHMDSMKXFMZWPU-NDENLUEZSA-N 355.372 5.236 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587952119 LZAMOAHPTJZGQH-CDMIOBSGSA-N 364.489 6.402 0 1 FKAF c1ccc2sc(-c3ccc4nc(CC5CCCCCC5)[nH]c4c3)nc2c1 587960147 GSXQYINGVKBNNW-UHFFFAOYSA-N 361.514 6.353 0 1 FKAF Cc1ccc2oc(=O)c(-c3cccc(OCc4cccc(F)c4)c3)cc2c1 653754309 IKKSICCKYJWMFI-UHFFFAOYSA-N 360.384 5.487 0 1 FKAF CCCO[C@@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]32)C1 2356671057 MJCAQBZKCWIVPS-FAMHBGTDSA-N 374.565 5.353 0 1 FKAF CC(C)Oc1ccccc1-c1cc2c(=N[C@H](C)c3ccccc3)nc[nH]c2[nH]1 2382222441 MHEXUWRGFSBKJC-MRXNPFEDSA-N 372.472 5.007 0 1 FKAF Cc1cccc(CNc2ncnc3ccc(-c4ccccc4Cl)cc23)c1 36380601 ITSBSLMSXIBLPN-UHFFFAOYSA-N 359.860 5.871 0 3 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c([C@H](C)O)c1-c1ccc(F)cc1 13437772 PTKPSYLXJIYGGX-KRWDZBQOSA-N 371.540 6.921 0 1 FKAF CC(=O)OC1=C(c2ccccc2)Sc2c(Cl)cccc2-n2cccc21 13739863 GLZZQHYDEXJFLY-UHFFFAOYSA-N 367.857 5.625 0 1 FKAF Cc1cc(COCC2(c3ccccc3)CCNCC2)cc(C(C)(C)C)c1 13781982 KYVTYFDDJINHPF-UHFFFAOYSA-N 351.534 5.131 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1[C@@H]2C=C(C)C[C@H]1C(=O)O 26837255 UQRMVLZMWMWTOL-JXXFODFXSA-N 358.478 5.047 0 1 FKAF Cc1ccc(Sc2ccccc2)c(Nc2cccc3nc(C)ccc23)c1 73315543 DJWWACYPSHSRIR-UHFFFAOYSA-N 356.494 6.746 0 1 FKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@@H]1c1ccccc1Cl 84653309 RUVFWXBRYJFCTA-IBGZPJMESA-N 368.889 5.581 0 1 FKAF CC(C)=CCc1c(O)c2c(c(C(=O)c3ccccc3)c1O)OC(C)(C)C=C2 85949812 PAIYOSAFOWPZIP-UHFFFAOYSA-N 364.441 5.022 0 1 FKAF biogenic c1ccc(OCc2nnc(SC3CCCCC3)n2-c2ccccc2)cc1 95595634 ZUXXVMABLHPUJO-UHFFFAOYSA-N 365.502 5.271 0 1 FKAF C[C@]1(c2cccc(OCCCc3ccc(Cl)cc3)c2)CCSC(N)=N1 96174381 BLMYKOOXEALXBP-HXUWFJFHSA-N 374.937 5.018 0 1 FKAF O=C(CSc1nnccc1-c1cccc2ccccc12)Nc1ccccc1 103300167 GNJBQDQDXZLHSD-UHFFFAOYSA-N 371.465 5.028 0 1 FKAF CC1(C)CC2=Nc3ccc4ncccc4c3[C@H](c3ccc(O)cc3)C2=C(O)C1 104052192 KDGPAYGKPHTJOL-NRFANRHFSA-N 370.452 5.791 0 1 FKAF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc(O)nc1)c1ccccc1 114605584 WHSLMGBEOADGJP-UKFCVPMUSA-N 371.436 5.254 0 1 FKAF CC(C)CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 169323470 UIRGBYWISWGYEM-YWJVFQPJSA-N 373.581 5.081 0 1 FKAF CSc1ccccc1-c1cc(CNC23CC4CC(CC(C4)C2)C3)no1 225190314 WMYYUBGVLMFQQF-UHFFFAOYSA-N 354.519 5.122 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCCC(=O)O 263621051 SOUDNDRWZSIFBW-IIFHDYRKSA-N 372.549 6.732 0 1 FKAF in-vitro CCCC1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCC1 586877789 PMYRTBWVCUBLCJ-UHFFFAOYSA-N 361.205 5.566 0 1 FKAF COc1cc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2cc1Cl 587067190 XPFPDQRRMRDXFM-SNVBAGLBSA-N 351.233 5.327 0 1 FKAF COc1ccc(-c2nc3ccc4nc(C)ccc4c3[nH]2)c(C(F)(F)F)c1 587097824 NXBRVWWXGXZVAF-UHFFFAOYSA-N 357.335 5.114 0 1 FKAF Cc1ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2n1 587112966 QFJQTYIBMKFERV-UHFFFAOYSA-N 369.346 5.744 0 1 FKAF CC1CCN(CCc2c(-c3ccc(F)cc3)nc3cccc4c3c2CC4)CC1 587212946 NLPFKJRHRGOQQY-UHFFFAOYSA-N 374.503 5.414 0 1 FKAF COc1cccc(-c2cc(-c3ccc(C)s3)nc3c2oc2ccccc23)c1 587364442 FDGUSPJVGLUEHX-UHFFFAOYSA-N 371.461 6.694 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(SC(F)(F)F)cc1)O2 587382225 KOWXFVZHSHKJBZ-KRWDZBQOSA-N 367.392 5.070 0 1 FKAF CCCC[C@H](OC)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399241 HMZASKMCSGFNSS-JTHBVZDNSA-N 367.489 5.336 0 1 FKAF COc1cc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587527050 UPWQNOJFEFNXAB-HSZRJFAPSA-N 350.458 5.071 0 1 FKAF Cc1csc2sc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)c12 587538490 PIADAJAUKRHDMQ-KRWDZBQOSA-N 368.523 6.165 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603091 KXIBBLGOUODVPA-BXWZSMHLSA-N 366.457 5.185 0 1 FKAF CC[C@H](C)c1ccc2[nH]c([C@@H]3CCCCN3C(=O)OC(C)(C)C)c(C)c2c1 587640503 ARIZATLDDLWRGB-YWZLYKJASA-N 370.537 6.452 0 1 FKAF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587696710 RFXIFZTUBKYOMV-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF CC(C)c1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820060 OIUWWWDTQOJKBP-HXPMCKFVSA-N 362.286 5.335 0 1 FKAF C[C@]1(c2ccc(SC(F)F)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963104782 MGLDCKSDWOZCGY-UZLBHIALSA-N 363.448 5.424 0 1 FKAF COc1cccc(-c2ccc3c(c2)[C@H]2C[C@H]3CCN2Cc2ccccc2)c1 1772576550 FWMXEMJWMMWNTC-PXDATVDWSA-N 355.481 5.797 0 1 FKAF CCCCCCSc1cc(Cl)c(C(=O)CC[N@]2C[C@@H]2C)cc1Cl 1857742123 BOTHSWILLQNCAB-YEJXKQKISA-N 374.377 5.943 0 1 FKAF CC(=O)OCC=C(C)C[C@@H](C)C[C@@H](C)CCCCCCCCC(C)C 2356406516 YOKQQBWIWJYSNO-UNMCSNQZSA-N 352.603 7.325 0 1 FKAF O[C@@H](c1cccc(Cl)c1)c1nc(-c2ccc(F)c(Cl)c2)cs1 61903983 OZZHWBQJFYGRFL-HNNXBMFYSA-N 354.233 5.338 0 3 FKAF NCCCCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(Cl)cc12 3739727 DYLNXMJTXDVIEH-UHFFFAOYSA-N 367.707 6.077 0 1 FKAF CCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n1[C@@H](CC)C1CC1 11687665 ZFEOFCQPJMXUNV-KRWDZBQOSA-N 374.315 6.329 0 1 FKAF C[C@]1(Cc2ccccc2)C(=S)Nc2ccc(-c3cccc(Cl)c3)cc21 13488897 UDPWGYPGCKGVEH-JOCHJYFZSA-N 363.913 6.260 0 1 FKAF CS(=O)(=O)c1ccc(-c2ccccc2-c2ccc(F)c(Cl)c2)cc1 13755782 DRLYABMZPXHNSE-UHFFFAOYSA-N 360.837 5.217 0 1 FKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1sccc1C=O 13814226 VKUXYPNFVOVBCM-UHFFFAOYSA-N 360.434 5.618 0 1 FKAF aggregator CCc1cccc(N(C)C(=N)Nc2cc(SC)cc(CC)c2Cl)c1 27435303 IAVHMKYZNPYLFT-UHFFFAOYSA-N 361.942 5.670 0 1 FKAF O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1cccnc1 35274103 RYHGCTPJAIVHMJ-UHFFFAOYSA-N 357.438 5.124 0 1 FKAF O=C(O)[C@H](Cc1ccccc1-c1ccccc1)Oc1ccc(Cl)cc1 40394966 XSXGWODQMXLIET-FQEVSTJZSA-N 352.817 5.082 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cnc(C)c1 45358616 LIQHJFUFDAHGIS-IRXDYDNUSA-N 352.931 5.653 0 1 FKAF CCO[C@H](c1ccccc1Cl)[C@@H](SC(C)(C)C)n1cnc(C)c1 45393824 GMYJUCDCAUXRBZ-IAGOWNOFSA-N 352.931 5.653 0 1 FKAF CC(C)N1CC=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1 49124825 FFAVDJZKSDDAOW-UHFFFAOYSA-N 361.464 5.380 0 1 FKAF CO[C@](C)(CC/C=C(\C)Cc1cc(C)co1)[C@@H]1Cc2cc(O)c(C)cc2O1 49784206 GSAYAGNITKAJHN-IBENBWMUSA-N 370.489 5.280 0 1 FKAF Clc1ccc(Cl)c(CO[C@H](CCn2ccnc2)c2ccco2)c1 71329747 GHVVLOAROSRIFB-QGZVFWFLSA-N 351.233 5.131 0 1 FKAF COc1ccc([C@](C[C@@H](F)CN)(c2ccccc2)c2ccc(C)cc2)cc1 95581220 CHQFZSXWIXTJPN-ISKFKSNPSA-N 363.476 5.025 0 1 FKAF COc1ccc(-c2nnc(N(C)c3ccc(C)cc3)c3ccccc23)cc1 95596995 LDRAEHCNKSBVKC-UHFFFAOYSA-N 355.441 5.382 0 1 FKAF c1ccc(-n2ncc3ccc(OCc4ccc5ccccc5n4)cc32)cc1 103247860 DTWOPPZRWVVFEF-UHFFFAOYSA-N 351.409 5.153 0 1 FKAF CCN(CC)Cc1cn(C/C=C(\C)CCC=C(C)C)c2ccc(F)cc12 140953644 IPQZLEWTKMBIRR-CPNJWEJPSA-N 356.529 6.315 0 1 FKAF CCCCC[C@@H](O)c1ccc([C@H]2CCC=C2CCCCCCC(=O)O)cc1 144581623 XJYSOJJOKMRHGS-XZOQPEGZSA-N 372.549 6.529 0 1 FKAF CCCCN(CCCC)C[C@@H](O)c1c(Cl)cc(Cl)c2ncccc12 169338274 LSNFWNNVICBESW-QGZVFWFLSA-N 369.336 5.477 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)cc1 586880427 MXFIZSKTKZXCHH-UHFFFAOYSA-N 366.342 5.517 0 1 FKAF Cc1nc(COc2cccc(-c3nc4cc(Cl)cc(C)c4[nH]3)c2)cs1 587020554 VCHDQQWURVHKJH-UHFFFAOYSA-N 369.877 5.536 0 1 FKAF CCc1ccc2c(c1)Cc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587102185 ZBSOLOFVKVXUOR-UHFFFAOYSA-N 361.444 5.888 0 1 FKAF Fc1cc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2cc1Cl 587135299 WRGSQBPMUYOXRD-OWOJBTEDSA-N 362.660 5.221 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(C)ccc(C)c3[nH]2)c1 587196536 ZXJGSDRAZFSGJE-UHFFFAOYSA-N 365.477 5.526 0 1 FKAF CC[C@H](C)[C@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208718 YQIVHZIVJNNVEO-SCLBCKFNSA-N 355.437 5.091 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCNc3ccc(Cl)cc31)CC2=O 587462694 QRTZMVSQJKKYKZ-OAQYLSRUSA-N 371.864 5.065 0 1 FKAF O=C1C[C@H](c2ccc(N3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 587512992 HGEODGCPQVDHJD-HSZRJFAPSA-N 361.485 5.262 0 1 FKAF O=C1C[C@H](c2cccc(-c3cccc(O)c3)c2)Oc2c1ccc1c2CCCC1 587534764 YHENLXNYWFUSBN-XMMPIXPASA-N 370.448 5.645 0 1 FKAF CC(C)(C)C1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602804 ZCAURHCKPGJOEG-QGZVFWFLSA-N 354.446 5.185 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccc(Cl)c(Cl)c3)c(C(=O)O)[nH]c12 587623503 IKZGCAMDXPWHDT-UHFFFAOYSA-N 354.620 5.802 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccc(F)cc3)[nH]c12 587624764 UPTYTXANFMAHBB-UHFFFAOYSA-N 355.718 5.681 0 1 FKAF CCc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2N2CCOCC2)cc1 587632168 RBJFOYAQTQZQGR-UHFFFAOYSA-N 358.844 5.026 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(CC(=O)OC)c(-c3ccc(F)c(F)c3)c2c1 587643745 WHCVOCOGEBEYOB-GFCCVEGCSA-N 357.400 5.342 0 1 FKAF CCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587648477 AJIULDBFBKADRH-UHFFFAOYSA-N 368.285 5.108 0 1 FKAF CCCOc1cccc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587779290 YEJKVKIJSDDYGO-UHFFFAOYSA-N 352.331 5.100 0 1 FKAF COCCOc1ccc(-c2nc(-c3ccc(SC)cc3)cs2)cc1 587926494 ZVCAYSRYUAHZCQ-UHFFFAOYSA-N 357.500 5.224 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3c(ccc4nc(C)ccc43)[nH]2)cc1 587931695 MIBJTKBTFGLQPE-UHFFFAOYSA-N 365.436 5.762 0 1 FKAF c1ccc(COc2ccc3[nH]c(-c4ccc(OC5CCC5)cc4)nc3c2)cc1 587951562 OXNOUYVIBDTMHU-UHFFFAOYSA-N 370.452 5.740 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587952333 OYKDCCQRXFBZDQ-BZPMIXESSA-N 356.388 5.508 0 1 FKAF C/C(=C\c1nc2cc(Cl)cc(Br)c2[nH]1)C1CCCCC1 587969275 XPEJQRHYGIHNFV-JXMROGBWSA-N 353.691 5.962 0 1 FKAF Cc1sc2c(c1C)CCN[C@@H]2c1c(-c2ccccc2)[nH]c2c(C)cccc12 963011259 OUVKGUHOVMHQAW-HSZRJFAPSA-N 372.537 6.057 0 1 FKAF Cc1ccccc1CC[C@@]1(c2ccccc2C)NCCc2ccc(O)cc21 963353824 UILFVISHJDJRSG-VWLOTQADSA-N 357.497 5.031 0 1 FKAF Clc1cccc(NCc2ccc(CNc3cccc(Cl)c3)s2)c1 1857589507 AENBYDDXORGWQR-UHFFFAOYSA-N 363.313 6.279 0 1 FKAF O=C1c2c(cccc2OCC2CCCCC2)C[C@@H]1Cc1ccc(Cl)cc1 1857633142 UBUNPOXYKKQHAT-IBGZPJMESA-N 368.904 5.897 0 1 FKAF CC=CCCCCCCCCCCc1oc(=O)cc2c1C(=O)O[C@@H](C)C2 2356334417 GDPLHYVNEPCEPF-KRWDZBQOSA-N 360.494 5.371 0 1 FKAF CCCCCC=CCCCCCCCCC=CC(=O)NCCCC(C)C 2356467545 VKLJBDNWQLCAND-UHFFFAOYSA-N 363.630 7.352 0 1 FKAF CC(/C=C/C1(c2cc3c(cc2C)C(C)(C)CCC3(C)C)CC1)=C\C(=O)O 1546069 QCUYSUZEBJQJPS-YWRSBGDESA-N 352.518 5.963 0 1 FKAF CC(/C=C/CC1(c2cc(C(C)(C)C)cc3c2CCC3(C)C)CC1)=C\C(=O)O 13487078 WFMNSSJQXRDLTP-ZFKNLEDPSA-N 366.545 6.217 0 1 FKAF CN1[C@H]2CC[C@@H]1[C@H](CCCc1ccccc1)C[C@@H]2CCCc1ccccc1 28526813 KRWUAJWHGJBNDT-POYMRFPPSA-N 361.573 6.131 0 1 FKAF O=C1O/C(=C\c2ccc(Cl)cc2)C(O)=C1c1ccc(-c2ccccc2)cc1 28565614 LIVPIDHBDNCBEX-ZHZULCJRSA-N 374.823 5.874 0 1 FKAF C(=C/c1nc2ccccc2o1)\c1ccc(OCCCCn2ccnc2)cc1 29476619 ZUAGIXAFPOIUTD-FMIVXFBMSA-N 359.429 5.054 0 1 FKAF C[C@H](N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1 40975097 UBCANUJMHQFBRX-DJJJIMSYSA-N 369.306 5.659 0 1 FKAF O=C(O)CC1=C/C(=C\c2cnc(C3CCCCC3)nc2)c2ccc(F)cc21 84724481 AQMYQDZILSKUMI-LZYBPNLTSA-N 364.420 5.076 0 1 FKAF CC(=O)OC/C=C(\C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 85994411 GYGSQPMBVQQYCF-CKGDTXCESA-N 350.543 5.270 0 1 FKAF COc1ccc2c(c1)oc1c(Nc3cc(Cl)cc(Cl)c3)ncnc12 95593623 JRIMVKXULYJNKG-UHFFFAOYSA-N 360.200 5.435 0 1 FKAF CC[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(C)cc1 100705250 RRLQYBHZLURRJQ-CQSZACIVSA-N 363.486 5.430 0 1 FKAF CN1[C@@H]2CC[C@@H]1CC(O[C@H](c1ccccc1)c1ccc(C(C)(C)C)cc1)C2 100834480 IGNVGOLMZFBAMQ-CQOQZXRMSA-N 363.545 5.715 0 1 FKAF Cc1ccccc1/C=C/c1cc(Br)c(O)c(Br)c1 139383713 YJUSSULXFDJWHL-VOTSOKGWSA-N 368.068 5.396 0 1 FKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3cccc(Cl)c3)cc21 143408083 DUXONSDHJUHRBN-IBGZPJMESA-N 360.762 5.786 0 1 FKAF C[C@@H](N=O)c1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1 169719101 WOTWVUVZQBUPBN-OAHLLOKOSA-N 354.413 5.633 0 1 FKAF O=C(O)C[C@H](O)CCCCCCCCCCCCCCCCCCO 219961645 IYEIGJVVRFAXMM-HXUWFJFHSA-N 358.563 5.446 0 1 FKAF in-vitro CC/C=C\CCSC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 254153299 YDJGESKTURUXSO-ZOEAPBGGSA-N 352.540 5.071 0 1 FKAF FC(F)(F)c1cc2[nH]c(-c3ccc(C4CCC4)cc3)nc2cc1Cl 586880658 OVDNSGIXVCQOHZ-UHFFFAOYSA-N 350.771 6.170 0 1 FKAF Brc1cc2[nH]c(C3=CCCC3)nc2cc1OCc1ccccc1 586883794 LPNOFNIZSIAZNI-UHFFFAOYSA-N 369.262 5.472 0 1 FKAF c1csc(SCc2c(-c3nc4cnncc4[nH]3)oc3ccccc23)c1 587012634 ZSKXSJBMGIOPIO-UHFFFAOYSA-N 364.455 5.120 0 1 FKAF COc1cccc(-c2ccc(-c3nc4ccc(Cl)nc4[nH]3)c(Cl)c2)c1 587052385 RHNGTRVWCARDMR-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF COc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1F 587065284 XLWTUPKBCAHBHK-UHFFFAOYSA-N 372.783 5.203 0 1 FKAF Fc1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1F 587071894 UOJQLMYJHCXDDI-UHFFFAOYSA-N 370.786 5.741 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](C(F)(F)F)CCC3 587103943 ORYYCTXJMBSWAH-HNNXBMFYSA-N 353.343 5.428 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc(F)cc(F)c3O)nc3cccc1c23 587104507 XPXKCVJWYYKUHH-UHFFFAOYSA-N 359.331 5.097 0 1 FKAF Cc1cc(C)c2nc(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)[nH]c2c1 587145050 RXTRISGAUVWXGI-UHFFFAOYSA-N 374.415 5.659 0 1 FKAF CC1(C)CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354151 NDFQMSISITZDSR-KNQAVFIVSA-N 354.421 5.229 0 1 FKAF CC(C)(C)SC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370163 UWOFMOKWYYTSCO-NQIIRXRSSA-N 374.477 5.181 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1csc(-c3ccsc3)n1)CC2=O 587493847 GYSXZHXHPAZBAX-KRWDZBQOSA-N 371.483 5.236 0 1 FKAF O=C1C[C@]2(CCc3c(Cl)cc(Cl)cc32)Oc2c1ccc1c2CCCC1 587497066 FIKKSVMAPLAIJO-NRFANRHFSA-N 373.279 5.679 0 1 FKAF CCCCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587507801 SZHNABQUBYFTHM-NRFANRHFSA-N 368.448 5.590 0 1 FKAF O=C1C[C@@]2(CCCSc3ccccc32)Oc2c1ccc1c2CCCC1 587539668 XFOBZIWBJIHRBI-JOCHJYFZSA-N 350.483 5.312 0 1 FKAF CC(C)(C)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587600379 BGDQIYKRIYZKBK-NFBKMPQASA-N 374.436 5.393 0 1 FKAF CCc1ccc([C@]2(CC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601497 GMOBVGXRKZGLMH-URXFXBBRSA-N 374.436 5.222 0 1 FKAF C[C@@]1(c2coc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616864 MWBYISIAKRBWKG-REWPJTCUSA-N 372.376 5.015 0 1 FKAF Cc1c(Br)cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1C 587965433 STBDYWOPJDEQAA-UHFFFAOYSA-N 371.322 5.782 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1 653745696 MKKKKDBGOCMQGR-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF C[C@@H]1CCc2ccccc2[C@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962701219 JRELPNBGTMWTSE-UQNRQAKVSA-N 367.533 5.015 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccsc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c1cc(F)cc(Cl)c1)c1nc(-c2ccc3ccccc3c2)c[nH]1 61906416 KUVNZUXWVQZCDJ-IBGZPJMESA-N 352.796 5.104 0 3 FKAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4Cc5[nH]c6ccccc6c5C[C@@]43C)[C@H]1CC[C@@H]2O 105061355 XAPHYNIJAGNNNA-ULELKENBSA-N 363.545 5.486 0 3 FKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCc1cccc2ccccc12 2012939 KIRBUWCNSNIDBX-UHFFFAOYSA-N 360.501 6.408 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2509531 WCFIGQHNBJXROP-MYDAXSSOSA-N 372.549 5.635 0 1 FKAF biogenic CC[n+]1c(/C=C/c2cc(Br)ccc2OC)ccc2ccccc21 8198977 CXMRNBDUVFGTNU-FMIVXFBMSA-N 369.282 5.089 0 1 FKAF N=C(NCc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1 13487861 HCUDNPNQOOAXTQ-UHFFFAOYSA-N 363.166 5.007 0 1 FKAF c1ccc2cc(COc3ccc4c(c3)[C@@H](c3nccs3)CC4)ccc2c1 13733415 SVXSUNCGECYUEH-NRFANRHFSA-N 357.478 5.953 0 1 FKAF CCCCCC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 13835218 GDVWBORFLOYSDD-DJCPXJLLSA-N 356.550 5.950 0 1 FKAF CN1CCN([C@@H]2C[C@@H](c3cccc(F)c3)c3ccc(Cl)cc32)CC1(C)C 22938083 OVWCWUCMWSYGNV-PZJWPPBQSA-N 372.915 5.082 0 1 FKAF C=C(c1ccccc1OCCCSc1ccc(Cl)cc1)n1ccnc1 28766119 SDDSFYBUEPYDFE-UHFFFAOYSA-N 370.905 5.617 0 1 FKAF CN1CCc2cc(Cl)c(O)cc2[C@H]1Cc1ccc(Cl)cc1Cl 45257612 ANSPOQSLVFCMFC-MRXNPFEDSA-N 356.680 5.124 0 1 FKAF Cc1csc2c1ncn1c(-c3ccc(Oc4ccccc4)cc3)nnc21 82060590 RKZWIMXTWAMFEZ-UHFFFAOYSA-N 358.426 5.107 0 1 FKAF CCOc1ccc(C(CC)=C(c2ccc(O)cc2)c2ccc(O)cc2)cc1 95921173 WLSRFYXWWMCGQI-UHFFFAOYSA-N 360.453 5.866 0 1 FKAF in-vitro CCc1ccc(OC(=O)c2cn(-c3ccccc3)nc2-c2ccsc2)cc1 98085434 GRYPGZPXOCEGKZ-UHFFFAOYSA-N 374.465 5.382 0 1 FKAF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@@]21C 118925245 KGXLWYQCBAUILI-ASTDNAILSA-N 372.549 5.491 0 1 FKAF biogenic CC(C)(C)[C@]1(O)CCN2C[C@H]3CCc4ccccc4-c4cccc(c43)[C@H]2C1 169337519 QALOPIQRQWRCTP-KPCPBYSCSA-N 361.529 5.311 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CO 221536021 YHTCXUSSQJMLQD-FBKZNXDGSA-N 358.610 7.851 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cncc(Cl)c3[nH]2)c1 586879107 OYJMIJRTSMEAFB-UHFFFAOYSA-N 361.832 5.126 0 1 FKAF Cc1cccc(CCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586991952 RYRAIWXGVYQXIR-UHFFFAOYSA-N 365.432 5.245 0 1 FKAF Brc1cccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587022844 ZZCCXNWFEAKIGI-UHFFFAOYSA-N 370.275 5.040 0 1 FKAF CCCOc1cc2[nH]c(-c3ccc(Cl)cc3)nc2cc1Br 587070843 XOOHCYHAUQDHDU-UHFFFAOYSA-N 365.658 5.435 0 1 FKAF O=C1c2ccccc2-c2cc(-c3nc4c(s3)CCC4)nc3cccc1c23 587208299 OSMYDWCPMHKKKM-UHFFFAOYSA-N 354.434 5.058 0 1 FKAF Clc1ccc(Nc2ncc(-c3cc4c5c(cccc5n3)CC4)s2)nc1 587360891 QTGRSRZXNHWYLD-UHFFFAOYSA-N 364.861 5.249 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c(Cl)c1)(C(C)C)O2 587377357 WSEZAZMNXXQGKS-LJQANCHMSA-N 364.272 5.401 0 1 FKAF COc1cc2c3c(c1)O[C@](c1cc4ccccc4o1)(C(C)(C)C)[C@@H](C2)C3=O 587455702 PMJGUNSYWBMRJH-QMHKHESXSA-N 362.425 5.130 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1c1ccc(F)cc1)CC2=O 587471641 LSWKJPJGWNJJTC-GCJKJVERSA-N 354.421 5.156 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(SCC(C)C)cc1)CC2=O 587491207 KNMQNROHRJMCEH-NRFANRHFSA-N 370.514 5.799 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(-c3ccccn3)c2c1 587641615 NMSAGMKOEKXLEB-HNNXBMFYSA-N 360.888 7.064 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCC3(CC2)CC3)N1 587822181 JCKLWZSECZQEGX-GTNSWQLSSA-N 352.291 5.134 0 1 FKAF C=C(c1cccc(O)c1)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587865156 WCYTUUFQCVNKQS-UHFFFAOYSA-N 374.362 5.192 0 1 FKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1ccccc1C1CC1 962696965 HIAADGPWIQFIFG-ZHRRBRCNSA-N 353.506 5.156 0 1 FKAF CC(C)(C)C[C@]1(c2ccc(Cl)cc2)c2c(F)cccc2C[C@H]2CCCN21 963107604 RYTHQJPUKCRIOO-XXBNENTESA-N 371.927 6.179 0 1 FKAF CC1=C[C@H](OC(=O)C=Cc2ccccc2)[C@@H](C(C)C)CCC(C)=CCC1 2356689034 WFXRZGNFMQPULF-PKTZIBPZSA-N 352.518 6.350 0 1 FKAF CC(C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356756894 ZQDSXDIYKPVJHY-RCKDXRLBSA-N 374.653 7.079 0 1 FKAF Cc1cc(C)c(O)c([C@@H](CCCCCC(=O)O)c2ccc(F)cc2)c1C 13456327 WBVXKKZNMXLFPT-IBGZPJMESA-N 358.453 5.624 0 1 FKAF O=C1c2ccccc2C(=Cc2cc(Cl)cc(Cl)c2)c2ccccc21 13524981 VRPYPFAIAPTTDN-UHFFFAOYSA-N 351.232 6.127 0 1 FKAF COC(=O)/C=C(C)/C=C/C(F)=C(C)\C=C\c1c(C)cc(OC)c(C)c1C 39372775 WAGPMOVHOFWZBB-OBHDLAOSSA-N 358.453 5.553 0 1 FKAF O[C@H]1c2ccccc2CC[C@]1(Cc1ccccc1)C1=Cc2ccccc2C1 71341854 OJQJHFSPUMBXJM-UIOOFZCWSA-N 352.477 5.535 0 1 FKAF Fc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@@H](c1ccc3oc4ccccc4c3c1)N2 72118923 UFECJZYJIZDSNJ-UOKFIYJESA-N 373.427 6.360 0 1 FKAF CCCN1CNc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2C1 95577950 PLENCLDCTYRFDI-UHFFFAOYSA-N 352.869 5.227 0 1 FKAF O=C(O)c1cc(C2CC2)ccc1Cc1cnc(C2CC2)c(-c2ccccc2)c1 96173341 ANPZHSNQJHBJOL-UHFFFAOYSA-N 369.464 5.792 0 1 FKAF COc1ccc2cc(Cc3cncc4cc(OC)c(OC)cc34)ccc2c1 145099081 VXSQCVANGYJWJE-UHFFFAOYSA-N 359.425 5.005 0 1 FKAF CCCN(CCC)c1ncnc(Nc2c(C)cc(C)cc2C)c1SC 169310009 KFROOOGVQWHYFI-UHFFFAOYSA-N 358.555 5.494 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]3Cc1ccccc1 586989762 DXQRQZAEAWTYLV-OAHLLOKOSA-N 363.416 5.034 0 1 FKAF CCCCCC[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445048 HIRFEYGRWVLIKU-AUSIDOKSSA-N 350.458 5.309 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(C)c3)cc1)CC2=O 587485312 UOMVRXMBCKQDNN-XMMPIXPASA-N 372.464 6.027 0 1 FKAF O=C1C[C@H](c2nc3cc(F)ccc3s2)Oc2c1ccc1c2CCCC1 587507369 MIJKQOWLGVXGCC-QGZVFWFLSA-N 353.418 5.021 0 1 FKAF O=C1C[C@](c2ccc(Cl)s2)(C2CCC2)Oc2c1ccc1c2CCCC1 587533921 ZBGWSBJYQULXEF-OAQYLSRUSA-N 372.917 5.941 0 1 FKAF O=C1C[C@H](c2ccccc2-c2ccsc2)Oc2c1ccc1c2CCCC1 587535232 JLFLESKICAMHLF-JOCHJYFZSA-N 360.478 6.000 0 1 FKAF CC(C)(C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 587604022 UAWKYTNAXHCUGF-NHCUHLMSSA-N 374.436 5.090 0 1 FKAF Cc1[nH]c2cccc(F)c2c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 587634445 ZDIKGZXPUOWHEH-UHFFFAOYSA-N 370.733 5.540 0 1 FKAF CCCCCC[C@@]1(CCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587812644 KCQMDQTVNQXECA-AUUYWEPGSA-N 370.350 6.088 0 1 FKAF CC[C@@H]1C[C@H](C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587818221 CWERCOIRHQXQIG-YVVSIOMPSA-N 354.307 5.164 0 1 FKAF CCCC[C@H](CC)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862729 WYDXVJNYIWPMCM-ZDUSSCGKSA-N 368.399 5.434 0 1 FKAF Cc1cc(Br)cc2nc(/C=C/c3cccc4ccccc34)[nH]c12 587968717 OLQGMQLLWXHPGL-MDZDMXLPSA-N 363.258 5.957 0 1 FKAF Cc1ccccc1-c1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)s1 653705971 HOUGNRUSALVUHV-UHFFFAOYSA-N 371.465 5.846 0 1 FKAF Cc1sc2c(c1C)CCNC21[C@H](C)CC([C@@H]2C[C@H]3CC[C@H]2C3)C[C@H]1C 963014049 STYBSZKXPKCMHV-ANVZSAGUSA-N 357.607 5.824 0 1 FKAF Cc1sc(N)nc1-c1csc(Nc2cc(Cl)cc(Cl)c2)n1 1772613442 UPSYEHHFOLNTCI-UHFFFAOYSA-N 357.291 5.208 0 1 FKAF CCC=C(c1cc(Cl)ccc1OCc1ccc(Cl)cc1)n1ccnc1 1857535106 ABILNPRIFQLNTF-UHFFFAOYSA-N 373.283 6.068 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1cn(C)nc1-2 1857566763 JFBLWAPHLCLLPU-UHFFFAOYSA-N 356.510 5.668 0 1 FKAF c1ccc(COc2ccc(Oc3ccc(Nc4ccccc4)cc3)cc2)cc1 1857754313 ZQKQHYAGAMYLFQ-UHFFFAOYSA-N 367.448 6.802 0 1 FKAF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@]3(C)O)C(C)=CC[C@H]12 2356359652 PNRUVGYCBDDNBW-CJOMPRKPSA-N 370.577 5.874 0 1 FKAF C[C@](O)(c1cccc(F)c1)c1nc(-c2csc3ccccc23)cs1 61905472 DBVOCAZNWPRQLS-IBGZPJMESA-N 355.459 5.420 0 3 FKAF C[C@@]12CCc3c(ccc4cc(OC(=O)c5ccccc5)ccc34)[C@H]1CCC2=O 2563053 VVFAWJYXSMMTEE-RCZVLFRGSA-N 370.448 5.458 0 1 FKAF biogenic O=C(O)c1ccccc1Nc1ccc(CCc2cccc(Cl)c2)cc1 40977635 MSGRXDSNAPBTLM-UHFFFAOYSA-N 351.833 5.567 0 1 FKAF CCCCN(CCCC)CCCCOc1ccc(CN(CC)CC)cc1 49036716 HMZXNZBXXGPQEG-UHFFFAOYSA-N 362.602 5.590 0 1 FKAF CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3cccc(Cl)c32)CC1(C)C 59940985 CRLRIFICOHQHTR-QUCCMNQESA-N 372.915 5.082 0 1 FKAF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(-c3ccccc3)ccc12 61942601 DBPORHOBQZRQDR-QPPBQGQZSA-N 369.464 5.925 0 1 FKAF C[n+]1cccc2c1c1cc(F)ccc1n2CCCCCC1CCCCC1 71295226 KNOOYBVUNXFIHT-UHFFFAOYSA-N 353.505 5.899 0 1 FKAF CCOc1cccc(-c2nc(CN[C@H](C)c3cccc4ccccc34)co2)c1 72103562 VLLNNLMCNFFRMD-QGZVFWFLSA-N 372.468 5.744 0 1 FKAF c1ccc(CNc2cc3c(cn2)[nH]c2ccc(NCc4ccco4)cc23)cc1 95555472 BZLSEKAUJTUFFB-UHFFFAOYSA-N 368.440 5.533 0 1 FKAF COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OCCCC(C)C 95563797 SGILLUBNDPLABH-KRWDZBQOSA-N 370.493 5.393 0 1 FKAF CCCCCc1cc(OC)c2cc(Cc3cccc(C)c3)c(=O)oc2c1 95577012 QPKRAAIWDLDDGG-UHFFFAOYSA-N 350.458 5.434 0 1 FKAF Cc1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1C 96910020 USLDCNLFZCAKMC-UHFFFAOYSA-N 356.513 5.293 0 1 FKAF CC[C@H]1CN(c2cccc(C(F)(F)F)c2)C(=O)[C@H]1c1cccc(F)c1 103190595 BOYAYDCAQXMQSM-YVEFUNNKSA-N 351.343 5.001 0 1 FKAF COc1cc(-c2ccc3nccc(Nc4cccc(O)c4)c3c2)ccc1O 143173006 FPLRMYGGQYVCJG-UHFFFAOYSA-N 358.397 5.065 0 1 FKAF O=C(Nc1cc2ccc(-c3c(F)ccc(F)c3Cl)cc2cn1)C1CC1 169700099 SDMZTCVKBHXHRC-UHFFFAOYSA-N 358.775 5.182 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)NCCC 169715929 GWYNSOMCLKQLNL-NKXWDUBDSA-N 360.586 6.451 0 1 FKAF C/C1=C\CC[C@]2(C)CC[C@H]3CCC(C)(C)[C@@H](O)[C@@H]3[C@H]2CC/C(C)=C/CC1 238733960 YCOBKYRODIQCDT-MUOXQDIASA-N 358.610 7.063 0 1 FKAF CC1(C)[C@H]2CC[C@@]1(C)[C@H](c1cccc([C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)c1O)C2 299880483 MIZVZCOZDYEJKF-KKWHYRSESA-N 366.589 7.252 0 1 FKAF C[C@H](Oc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989476 KLMXDTWKAGCDBD-AWEZNQCLSA-N 367.404 5.292 0 1 FKAF CCn1cc(Cl)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 586992410 FMZLHKKVCHTLKC-UHFFFAOYSA-N 373.843 5.291 0 1 FKAF FC(F)(F)c1cnc2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587050049 OFBGZSQKESQHES-DTWKUNHWSA-N 372.177 5.555 0 1 FKAF Clc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2nc1Cl 587053845 IZLBIVSBKXICJQ-SNAWJCMRSA-N 359.043 5.742 0 1 FKAF Cc1cc(F)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 587072460 XMWQOGMENANOSC-UHFFFAOYSA-N 372.230 6.046 0 1 FKAF Cc1ccc(Cc2nc3cccc(Br)c3[nH]2)cc1C(F)(F)F 587095099 PMPDXVIZJXBBDJ-UHFFFAOYSA-N 369.184 5.243 0 1 FKAF Cc1c(Cl)ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587137898 RINHCPZFUCSYND-UHFFFAOYSA-N 357.585 5.232 0 1 FKAF Cc1ccc(NC2(c3nc4cc(C(F)(F)F)ncc4[nH]3)CCCC2)cc1 587237266 PHZROWKRDDYFOC-UHFFFAOYSA-N 360.383 5.167 0 1 FKAF C[C@@H]1CC(C)(C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587356476 QOMRWXZPIFQNAQ-JMGHSTIFSA-N 354.421 5.085 0 1 FKAF COc1cccc(-c2cc(-c3ncccc3N)nc3c2oc2ccccc23)c1 587364005 YJNBNZYFSVVPTC-UHFFFAOYSA-N 367.408 5.301 0 1 FKAF COc1cccc(-c2c(C(C)C)c(C(C)C)nc3c2oc2ccccc23)c1 587366054 PRITXDVBLWWFRH-UHFFFAOYSA-N 359.469 6.903 0 1 FKAF CCCOc1ccc(C)cc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587477410 CBNGSSQBWISDQZ-OAQYLSRUSA-N 354.446 5.148 0 1 FKAF Cc1[nH]c2c(C)ccc(C)c2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521971 DJINXRXAIWRYLL-FQEVSTJZSA-N 359.469 5.678 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1CCCCCCC1 587602892 JSWRSGAQTNDXEU-KNQAVFIVSA-N 352.430 5.083 0 1 FKAF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2Sc2ccccc2)cc1 587630030 DUZMJQYWCBSTOL-UHFFFAOYSA-N 371.839 6.918 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C)c3ccccc32)N1 587817006 HEOZIWIMAYMAJN-VFGMZZLHSA-N 374.297 5.263 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2C(C)(C)C)N1 587824265 VUZQXKIWRBVTFQ-YFROIQMUSA-N 368.334 5.554 0 1 FKAF Cc1cc(Br)ccc1-c1nc(-c2cc(F)ccc2F)cs1 587922152 JRVDCXJATMQPOJ-UHFFFAOYSA-N 366.230 5.826 0 1 FKAF Cc1sc(-n2cccc2)c(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1C 621477618 PZNGZVCVKRIRTR-CYBMUJFWSA-N 358.894 5.300 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(Cc2c(Cl)cccc2Cl)N1 962946821 JMSMRCXRCNUXDO-ASSNKEHSSA-N 373.327 5.857 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(Cc2cc(Cl)cnc2Cl)N1 962946822 AZPVADKFABJYEY-JLTOFOAXSA-N 374.315 5.252 0 1 FKAF Fc1cccc2c1[C@@H](c1ccc(Cl)nc1C(F)(F)F)N1CCC[C@H]1C2 963100728 JBDVORVGNUDAFI-MEDUHNTESA-N 370.777 5.003 0 1 FKAF C[C@@H](CCN1CCC(Cc2ccccc2)CC1)c1ccc2cc(O)ccc2c1 1772592238 KOFNCPHYIZQPLG-FQEVSTJZSA-N 373.540 5.994 0 1 FKAF O=S(=O)(Oc1ccc(-c2ccc3occc3c2)cc1)C1CCCCC1 1857554133 JXCKMVKUCTUQFN-UHFFFAOYSA-N 356.443 5.141 0 1 FKAF C[C@@]12C=C(C=CC=Cc3ccco3)[C@@](C)(C1)[C@@H](C=Cc1ccco1)CC2=O 1857621847 UQMOFGNDJAVHLT-GLYQVZKVSA-N 360.453 6.087 0 1 FKAF CC(=O)O[C@@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)CCC[C@@H]32)C1 2356646780 PISMGMNRZZPIQZ-MHYDGWTMSA-N 360.538 5.310 0 1 FKAF CC(=O)O[C@@H](CC(C)=CCCc1ccoc1)C[C@H](C)CCCc1ccoc1 2356661548 FTIFGDQWFHYSPU-XXBNENTESA-N 372.505 6.122 0 1 FKAF Brc1ccc2nc(-c3ccco3)c(CC3CCCCC3)n2c1 72138050 RJWNWFWMQAJNMK-UHFFFAOYSA-N 359.267 5.480 0 3 FKAF CC1(C)CCC(C)(C)c2cc([C@H](O)c3ccc(/C=C/C(=O)O)cc3)ccc21 26723706 WTGHSZIXBWHTPK-JNKLARPZSA-N 364.485 5.215 0 1 FKAF CO/C=C(/C(=O)OC)c1ccccc1/C=C/c1ccccc1C(F)(F)F 27640709 FCDFPEJHWIBVRR-AETJLUGGSA-N 362.347 5.036 0 1 FKAF CCCCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 39308679 OBCLUYQALDBUAD-XIRDDKMYSA-N 360.519 5.228 0 1 FKAF O=C(Oc1cncc(Cl)c1)c1ccc(-c2ccccc2C(F)(F)F)o1 40834204 PXEVLVPNEKTCEV-UHFFFAOYSA-N 367.710 5.233 0 1 FKAF Cc1ccc([C@H](CCn2cncn2)Oc2ccc(Cl)cc2Cl)cc1 40894166 LBVMLZNGEKRVIV-KRWDZBQOSA-N 362.260 5.104 0 1 FKAF Cc1ccc(-c2cn3c(nc4ccccc43)c(-c3ccc(Cl)cc3)n2)cc1 66066637 DWJLPXCQORIULS-UHFFFAOYSA-N 369.855 6.178 0 1 FKAF COc1cc(Sc2ccc(-c3ccccc3)cc2)cc(OC)c1OC 72114963 HHAMKRMGZOSKCF-UHFFFAOYSA-N 352.455 5.531 0 1 FKAF O=C(NCCc1ccccc1Cl)c1cc(-c2cccnc2)ccc1Cl 72181724 YZRIVLMTJZLOKV-UHFFFAOYSA-N 371.267 5.028 0 1 FKAF CSc1ccc2c(c1)[C@H](C)N(C(=O)c1ccc(Cl)cc1)[C@H](C)CO2 73196484 MBARCLLTOAMSJY-OLZOCXBDSA-N 361.894 5.046 0 1 FKAF 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 118925100 FEGCPHIPSRBREU-WFVDQZAMSA-N 374.565 5.283 0 1 FKAF CC(C)(C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2O)C1 118931270 OLFAUBNLGRKABZ-FJHVXNPXSA-N 360.538 5.037 0 1 FKAF biogenic C[C@]12CC[C@H]3[C@@H](C[C@H]4C[C@]45C[C@@H](O)CC[C@]35C)[C@@H]1CC=C2c1cccnc1 141896607 SGBMHXUDAZFBJG-KDBZTBCGSA-N 363.545 5.479 0 1 FKAF CCCCC/C=C/C/C=C/C/C=C\C/C=C/CC[C@H](C)C(=O)NCCO 169692763 POPPPMLPRVFFPI-CETHYRJRSA-N 361.570 5.487 0 1 FKAF CC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C 238765989 DIEUXISOPLCNKG-FUPPVXKBSA-N 358.654 8.252 0 1 FKAF Cc1cc(Br)ccc1OCc1nc2cc(Cl)c(F)cc2[nH]1 586980673 DEIJUTOLYAKYGD-UHFFFAOYSA-N 369.621 5.005 0 1 FKAF Cc1nc(COc2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)cs1 587020308 MVUYIVIMWJPKOV-UHFFFAOYSA-N 372.453 5.122 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(=N)[nH]cc2[nH]1 587072048 OSUIWBRGOAMECJ-LPBMVBJOSA-N 373.287 5.043 0 1 FKAF Cc1cc(Br)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 587088321 XDMMFLBUHGFAKE-UHFFFAOYSA-N 360.642 5.436 0 1 FKAF Fc1ccc(/C=C\c2nc3cc(Br)cc(Cl)c3[nH]2)c(F)c1 587150849 UPYHGPHZDUXLLL-RQOWECAXSA-N 369.596 5.427 0 1 FKAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587238937 IVPTZFUXARVXBM-UHFFFAOYSA-N 374.469 5.180 0 1 FKAF O=C1C[C@@](c2ccccc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587509321 RFZPDOJCDLZRRH-RUZDIDTESA-N 372.439 5.614 0 1 FKAF C[C@]1(c2ccc3cc(O)ccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531464 GNCUDYKARWDYLV-XMMPIXPASA-N 358.437 5.305 0 1 FKAF CCc1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628288 RETSLYVYWLVYFW-UHFFFAOYSA-N 358.285 5.830 0 1 FKAF CCc1c(-c2cc(Br)ccc2F)[nH]c2cc(Cl)c(F)cc12 587629252 GUBSJRVYXHQKMN-UHFFFAOYSA-N 370.624 6.091 0 1 FKAF Fc1cccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2cccc(F)c2)c1 587630993 TYOFLAKBUQGHKT-UHFFFAOYSA-N 357.762 6.573 0 1 FKAF CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2ccc([C@H](C)CC)cc12 587640200 GFWJBJLWMOCPHT-CQSZACIVSA-N 369.892 6.102 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(C(=O)C(F)(F)F)c2c1 587641102 JTSVBUQDTXQVJG-CYBMUJFWSA-N 359.391 6.402 0 1 FKAF CC(C)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1cccc(Cl)c1 587649741 SPFYCPUPXZBUST-UHFFFAOYSA-N 361.894 5.090 0 1 FKAF CCOc1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc1C 587779840 GOFNWWKRCHOSKJ-UHFFFAOYSA-N 360.482 6.088 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)CC2)N1 587817107 IJFDEBAFTWHVCD-XCLFUZPHSA-N 372.281 5.195 0 1 FKAF c1ccc([C@]2(CC3CCC3)c3ccsc3CCN2Cc2ccco2)cc1 962712608 VGZLDTKIMKKCOT-HSZRJFAPSA-N 363.526 5.833 0 1 FKAF C[C@@]1(c2cccc3c2NCCC3)c2ccsc2CCN1Cc1ccco1 962712962 ORJZIYZKSPIADR-QFIPXVFZSA-N 364.514 5.021 0 1 FKAF CCn1ccc2c([C@@H]3c4cccc(Br)c4CCN3C)cccc21 963278396 AVWMYGBLGAAHLB-FQEVSTJZSA-N 369.306 5.001 0 1 FKAF Cc1cccc(C)c1-c1cccc(C(=O)Nc2ccc(CCC(=O)O)cc2)c1 1772575510 YIDYJDMHKWIWNR-UHFFFAOYSA-N 373.452 5.240 0 1 FKAF O=C(Nc1cc(O)cc(Cc2ccccc2)c1)c1ccc(Cl)cc1Cl 1857764824 LQJSCZKHFFBHHN-UHFFFAOYSA-N 372.251 5.542 0 1 FKAF Cc1nc2ccccc2c(-c2cccs2)c1[C@H](OC(C)(C)C)C(=O)O 1857773954 RONRJRGDFYBRHU-SFHVURJKSA-N 355.459 5.213 0 1 FKAF Fc1ccc(-c2nc3c4ccccc4ccn3c2CC2CCCCC2)cc1 72135896 FVNOUEGXERXRIC-UHFFFAOYSA-N 358.460 6.416 0 3 FKAF COc1ccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)cc1 8157566 ADYHVBFHCFEJKE-UHFFFAOYSA-N 360.457 5.039 0 1 FKAF C[C@H]1C[C@@](C)(CCCCCCCCCCCCc2ccccc2)OC1=O 13460471 FAIZHPBXQAJJPL-XUZZJYLKSA-N 358.566 6.862 0 1 FKAF biogenic CCCCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27556260 OBCLUYQALDBUAD-UAGQMJEPSA-N 360.519 5.228 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2ccccc2O1 27623026 WRCJYCLIIYNYBX-JHXPYLFOSA-N 366.589 7.970 0 1 FKAF COCCC/C=C/Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@H]21 27753088 QVMBZYVOASLQMK-VUTZTEFLSA-N 356.506 5.528 0 1 FKAF CCOC[C@H](Cc1ccc(F)cc1)Nc1nc2cc(C(C)C)ccc2o1 28005863 ROZMFFTUCCNEFB-SFHVURJKSA-N 356.441 5.150 0 1 FKAF COc1ccc(Cc2oc3c(Cl)cc(C(C)(C)C)c(O)c3c2C)cc1 28223436 UCFHXAAZOLTBBV-UHFFFAOYSA-N 358.865 5.997 0 1 FKAF CCCC[C@]12Cc3c(ccc4ccccc34)[C@H](O1)c1c(cc(C)oc1=O)O2 36381604 RQNQTJSVAIXCOL-JTHBVZDNSA-N 362.425 5.042 0 1 FKAF Cc1[nH]c(C)c(-c2ccc(Oc3ccccc3)cc2)c(=O)c1Br 40891913 MWTWIFKTLNLERG-UHFFFAOYSA-N 370.246 5.214 0 1 FKAF CC[C@@H]1C[C@@H]2[C@H]3CCC4=C/C(=N/O)CC[C@@]4(C)[C@@H]3CC[C@@]2(C)[C@H]1/C(C)=N/O 43766976 GIIPSNRPRUJDDZ-PPBXGSDOSA-N 372.553 5.882 0 1 FKAF CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccc(Cl)cc1 53313515 YYMAYABEGTVMRS-KRWDZBQOSA-N 367.663 5.344 0 1 FKAF OC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1Cc1ccccc1 64245714 NRJOAYKSGZHTCR-YLJYHZDGSA-N 364.316 5.124 0 1 FKAF in-vivo Clc1ccccc1CNc1cc(Oc2cccc3ccccc23)ncn1 82068331 ZIPRHALXQCYKLX-UHFFFAOYSA-N 361.832 5.688 0 1 FKAF O=C(Nc1nc(-c2ccc(Cl)cc2)co1)c1c[nH]cc1-c1ccccc1 95559271 LFVCBPUKFMKYBQ-UHFFFAOYSA-N 363.804 5.242 0 1 FKAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)C2(C)C 100932299 PSDQYGKBECOLJX-JSBCDOONSA-N 362.554 5.593 0 1 FKAF O=c1ccc2c(OCCCOc3ccc(Cl)cc3)c3ccoc3cc2o1 137932688 POFDDBSJPMDKID-UHFFFAOYSA-N 370.788 5.041 0 1 FKAF CN(CCCCc1ccccc1)[C@H]1Cc2ccccc2[C@@H](c2ccccc2)C1 169371090 WNKDOXHPSHAXOX-AHKZPQOWSA-N 369.552 6.088 0 1 FKAF CCSc1ccc(CN2CCC[C@@H](Cc3ccc4[nH]ncc4c3)C2)cc1 169697407 HOPPMEHKDBCSGB-IBGZPJMESA-N 365.546 5.130 0 1 FKAF Cc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1C 586975314 MQWFFDIHEONYOZ-UHFFFAOYSA-N 370.077 5.916 0 1 FKAF COc1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1 587047060 ACCSXCQBLWBHGL-UHFFFAOYSA-N 369.251 6.212 0 1 FKAF Fc1cnc2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 587047101 BDBIFNXQFHJJRS-UHFFFAOYSA-N 358.203 5.738 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccnc(O)c2[nH]1 587072638 SVEJJBDPSNPUIB-UFNPXJETSA-N 374.271 5.336 0 1 FKAF Cc1ccc2c3c(cc(CCc4ccsc4)nc13)-c1ccccc1C2=O 587101548 HTRFALPQMDKWDS-UHFFFAOYSA-N 355.462 5.601 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](C(F)(F)F)C3 587102648 CKSWFMJXLBEOEK-NSHDSACASA-N 353.343 5.113 0 1 FKAF Fc1cc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)ccc1-c1ccccc1 587145212 IFAGTXITSGFUFB-UHFFFAOYSA-N 356.322 5.377 0 1 FKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(Cl)cc2[nH]1 587149866 NTOWCXLIUWDBRV-LJQANCHMSA-N 351.812 5.557 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C)c(C)cc3[nH]2)c1 587195887 MVQHWJOGNBAKKX-UHFFFAOYSA-N 365.477 5.526 0 1 FKAF CC(C)(C)[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348626 AGYFLYZMWXTYQY-IPJJNNNSSA-N 354.421 5.085 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(C1CC1)CC2=O 587458799 BVDQDXKAOHMXBP-NRFANRHFSA-N 356.849 5.269 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CC[C@@H]1C(C)C 587484497 SJQCLJUFURMFES-NTKDMRAZSA-N 364.485 5.424 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccs3)cc1)CC2=O 587495569 RXLLZESZUVHTGF-HXUWFJFHSA-N 364.466 5.780 0 1 FKAF O=C1C[C@H](c2ccc(C(=O)C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587496955 CZNWPKUYMUCCLQ-GOSISDBHSA-N 374.358 5.017 0 1 FKAF O=C1C[C@@H](c2ccc(Cl)c(O)c2Cl)Oc2c1ccc1c2CCCC1 587497830 LBICBLYBNYRYAT-INIZCTEOSA-N 363.240 5.284 0 1 FKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC(C)C 587523789 PQIPRMHAPBRZLH-OAQYLSRUSA-N 366.457 5.068 0 1 FKAF CCc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587531943 JCIVNEAEWLVBIL-XMMPIXPASA-N 372.464 6.094 0 1 FKAF COc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)cc1 587629833 JYXKBSUFHWDPSN-UHFFFAOYSA-N 371.717 5.219 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(Cc3ccccc3Cl)c2c1 587639605 AOOCYQSIMMQWGF-KRWDZBQOSA-N 373.927 7.593 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(NC(=O)CCC(=O)O)c2c1 587641502 GLWLKUMSEXNDMZ-AWEZNQCLSA-N 364.445 5.152 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(C)(C)C)(C2CC2)N1 587816307 WGVLHDJRZNDTCX-ADLMAVQZSA-N 354.307 5.164 0 1 FKAF CC[C@@H]1CCC[C@H]([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C1 587823745 RGPGLNKOPQPNPW-LSIMKLPESA-N 354.307 5.380 0 1 FKAF Cc1c(Cl)ccc2sc(-n3nc4cc3Oc3ccc(F)cc3-4)nc12 587875127 AAODTIDWNQCSKW-UHFFFAOYSA-N 357.797 5.356 0 1 FKAF COc1cc(C2(c3nc4cc(C)c(Br)cc4[nH]3)CC2)ccc1C 587924760 FIOJUSGHYLPKTM-UHFFFAOYSA-N 371.278 5.031 0 1 FKAF FC1(F)Oc2cc3nc(/C=C/c4cccc5ccccc45)[nH]c3cc2O1 587969094 PXNAUPPHUYFCBJ-CMDGGOBGSA-N 350.324 5.208 0 1 FKAF CC(=CCC[C@@H](C)[C@]1(O)CCC(C)=CCC=C(C)CCC=C(C)CC1)CO 2356479948 JWZHMTWWNSZMAZ-RPBOFIJWSA-N 374.609 6.656 0 1 FKAF CCC=CCC=CCC=CCC=CCC[C@@H](OC(C)=O)[C@H](C)NC(C)=O 2356685838 HQDNKZPSRKEKML-SIKLNZKXSA-N 361.526 5.028 0 1 FKAF CC(C)C[C@H](SC1CCCC1)c1c(O)cc(-c2ccccc2)oc1=O 5962784 HIJDADBORWRDJP-IBGZPJMESA-N 358.503 5.775 0 1 FKAF CC(C)=CCc1cc(CCc2cc(O)c(CC=C(C)C)c(O)c2)ccc1O 15115168 UMBTUNCDJTWDLW-UHFFFAOYSA-N 366.501 5.606 0 1 FKAF biogenic,in-vitro O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nccc2ccccc12 43014607 DSPHGZRIXVKOQM-UHFFFAOYSA-N 369.264 5.503 0 1 FKAF Cc1ccsc1-c1cc(-c2ccc(Cl)o2)cc(-c2cccnc2)n1 45337662 YVKIAYCUTMASNW-UHFFFAOYSA-N 352.846 6.094 0 1 FKAF Cc1c(C)c2c(c(-c3cc(-c4ccc(O)cc4)no3)c1O)CCC(C)(C)O2 72112911 RAAHFARGSSINHH-UHFFFAOYSA-N 365.429 5.140 0 1 FKAF Cc1ccc(Oc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 72177498 OWBOTDYRFKLTEI-UHFFFAOYSA-N 353.636 5.557 0 1 FKAF COc1ccc(Cc2cc(O[C@@H]3CCCC[C@@H]3C)c(C(C)C)c(=O)[nH]2)cc1 95592039 GHRLOSINCJHBPV-OXJNMPFZSA-N 369.505 5.055 0 1 FKAF CC[C@H](O)/C(C)=C/[C@@H](C)[C@@H](O)/C(C)=C/C(C)=C/[C@@H](C)/C=C/c1ccccc1 169356785 YLFWWEOWHPOZJW-DZBGLGOMSA-N 368.561 5.943 0 1 FKAF Cc1cccc([C@@H](C[C@@H](N=O)c2ccncc2)c2ccc(N(C)C)cc2)c1 169730240 JLEQHPJQHNOEBF-XZOQPEGZSA-N 359.473 5.486 0 1 FKAF O=C(Nc1ncccc1OCc1cccc(Cl)c1)NC1CCCCCC1 206980239 FSTNEJDGWJLTHK-UHFFFAOYSA-N 373.884 5.158 0 1 FKAF Cc1ccc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)cc1 586992394 WCTDDGKUGNPGLM-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF Cc1cc(Cl)cnc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586994007 UDPLIYNQTBTGMH-UHFFFAOYSA-N 370.839 5.778 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C=C1CCC(=O)[C@]1(C)C4)-c1ccccc1C2=O 587100308 GFDQZLYYUIHAPG-RUZDIDTESA-N 365.432 5.063 0 1 FKAF Cc1ccc2c3c(cc(-c4ccsc4C(=O)O)nc13)-c1ccccc1C2=O 587103004 UQACEXAPHAKKLF-UHFFFAOYSA-N 371.417 5.181 0 1 FKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(C)c(C)c3[nH]2)c(F)c1 587144734 ORQIRTGJFFKGEP-UHFFFAOYSA-N 374.415 5.659 0 1 FKAF Fc1nc(Cl)ccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587177643 ROFHUPZTYRLDTO-UHFFFAOYSA-N 350.102 5.090 0 1 FKAF c1ccc(CN(Cc2nc3cc4ccccc4cc3[nH]2)c2ccccc2)cc1 587196359 RJWCVDSSYRTIRL-UHFFFAOYSA-N 363.464 5.923 0 1 FKAF COc1cccc(-c2cc(-c3nc(C)cs3)nc3c2oc2ccccc23)c1 587367569 ZGDZUYUMNYDLTG-UHFFFAOYSA-N 372.449 6.089 0 1 FKAF Cc1csc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587373306 IGZOUXPUJOUSNH-TZIWHRDSSA-N 368.429 5.176 0 1 FKAF CCc1cccc2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(Cl)nc12 587380024 OCXCHZFGWRVKCG-GOSISDBHSA-N 366.848 5.048 0 1 FKAF O=C1C[C@H](c2ccccc2CCC(F)(F)F)Oc2c1ccc1c2CCCC1 587496317 BGUCYKKLMLTYKM-HXUWFJFHSA-N 374.402 5.767 0 1 FKAF C[C@@]1(Cc2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587505583 HXHYZYXQJSRXQF-OAQYLSRUSA-N 374.402 5.551 0 1 FKAF C[C@]1(c2ccccc2CCCCF)CC(=O)c2ccc3c(c2O1)CCCC3 587509857 XGVSXKUENDAAQC-XMMPIXPASA-N 366.476 5.738 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587564020 FACDCEYYBGCSIO-UHFFFAOYSA-N 374.387 5.151 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCC1CCCCC1 587601714 GQSOTZWVWPQJEC-AZUAARDMSA-N 352.430 5.083 0 1 FKAF C[C@H](CC1CCCCC1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602988 MBFSRLFSDRHVPB-OFSQETHSSA-N 366.457 5.329 0 1 FKAF Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587603867 RXJNBDUOYMEPDG-REWPJTCUSA-N 360.409 5.020 0 1 FKAF Cc1cc(Cl)cc2c(C(C)(C)C(=O)O)c(-c3ccc(Cl)cc3)[nH]c12 587624541 OJHSYWQKFXWKIJ-UHFFFAOYSA-N 362.256 5.812 0 1 FKAF O=C(c1c(-c2cccc(F)c2)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F 587627729 ASWJDDUJCKIYCK-UHFFFAOYSA-N 359.681 5.512 0 1 FKAF CCCc1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627977 NLVNLKRHGTYZAG-UHFFFAOYSA-N 372.312 6.220 0 1 FKAF CC(C)(C)c1[nH]c2cc(F)ccc2c1[C@@](O)(c1ccccc1)C(F)(F)F 587634061 QODOLQYVRJADTI-IBGZPJMESA-N 365.370 5.403 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3c[nH]c(C(=O)O)c3)c(-c3ccccc3)c2c1 587643725 IXKMUKQFBWFXHJ-AWEZNQCLSA-N 358.441 6.042 0 1 FKAF c1cncc(-c2nc(NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)c1 1772585216 LEWAHVWACBZCDA-UHFFFAOYSA-N 356.473 5.073 0 1 FKAF O=C(Oc1ccccc1)N1CCC(CCn2ccc3ccc(F)cc32)CC1 1857644209 VGAYWDLPPDNVBP-UHFFFAOYSA-N 366.436 5.082 0 1 FKAF CC(=O)Nc1cc(N)c(C=Cc2ccccc2)cc1C=Cc1ccccc1 2356501543 DQPFZYHALGYMAH-UHFFFAOYSA-N 354.453 5.568 0 1 FKAF CC1=C2C[C@H](O)[C@H](C)[C@@H]2[C@H](O)[C@]2(C)CC[C@]3(C)CCC(C)(C)C[C@@H]3[C@@H]2CC1 2356528753 GPHBRZAMTODMIC-UJUGNSCLSA-N 374.609 5.723 0 1 FKAF Clc1cccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)c1 72139432 LWTYTULBUUBCIW-UHFFFAOYSA-N 374.896 6.460 0 3 FKAF CCCCCc1c(-c2ccccc2F)ncn1CCc1ccccc1OC 95565968 JMMOWYFHYYBNJB-UHFFFAOYSA-N 366.480 5.673 0 3 FKAF C/C(=C\c1cc(C(=O)O)cs1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 1539543 ZEDKEKWGCXBKCJ-NTEUORMPSA-N 368.542 6.664 0 1 FKAF CC(C)(CCCC1CCC(CCCC(C)(C)CC(=O)O)CC1)CC(=O)O 26169294 XKOFVFZHMDRAJS-UHFFFAOYSA-N 368.558 6.135 0 1 FKAF CCc1cc(C)c2cc(OC)cc(NCCCCCCN(CC)CC)c2n1 27656428 INDJSPHCCDZJJB-UHFFFAOYSA-N 371.569 5.428 0 1 FKAF CCOC(=O)Cc1nc(-c2ccc(Cl)c(Cl)c2)oc1-c1ccoc1 28224081 VAMLQKDZHUBDLR-UHFFFAOYSA-N 366.200 5.014 0 1 FKAF Fc1ccccc1C1=N[C@@H](Cc2c[nH]c3ccccc23)CNc2ccccc21 28237741 IXGVNFTTYVCYEI-KRWDZBQOSA-N 369.443 5.181 0 1 FKAF CC1(C)COc2c(OCCNCc3cccc(C4=CCCC4)c3)cccc21 35259216 MXPWGHGCCKQDEC-UHFFFAOYSA-N 363.501 5.093 0 1 FKAF O=C(O)[C@H](Cc1cccc(Oc2ccccc2)c1)Oc1ccc(Cl)cc1 40896264 DKBQUFWMBYWUDK-FQEVSTJZSA-N 368.816 5.207 0 1 FKAF C[C@@H]1C[C@@H](NCc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC(C)(C)C1 72185852 QDUCWFGXRXDLME-CZUORRHYSA-N 366.427 5.665 0 1 FKAF O[C@@H](CSc1ccc2ccccc2c1)Cn1c2c(c3ccccc31)CCC2 84690530 ZCGXFPYWALTBGE-LJQANCHMSA-N 373.521 5.436 0 1 FKAF CCn1cnc2cnc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c21 84709018 ZLEDYSWFEJBEGL-UHFFFAOYSA-N 368.484 5.123 0 1 FKAF Cc1ccc2nc(Cl)cc(Oc3ccc4c(C)cc(=O)oc4c3)c2c1 98082089 JUECDBBZANHRHF-UHFFFAOYSA-N 351.789 5.404 0 1 FKAF Cc1ccc(Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)c(C)c1 103229211 RXAWEGNMANCOAH-UHFFFAOYSA-N 366.383 6.328 0 1 FKAF O=N[C@@H]1CCc2cc(-c3[nH]c(-c4ccccc4)nc3-c3ccncc3)ccc21 169719099 XMKOUZLRNYKHIU-HXUWFJFHSA-N 366.424 5.559 0 1 FKAF C[C@@]12C=C(/C=C\C=C/c3ccco3)[C@@](C)(C1)[C@@H](/C=C/c1ccco1)CC2=O 195380571 UQMOFGNDJAVHLT-IRNXLHBXSA-N 360.453 6.087 0 1 FKAF CC1(C)[C@H]2CC[C@@H](CNc3cc(Oc4ccc5ccccc5c4)ncn3)[C@H]1C2 299878161 IMBHTTDSYOSSNM-IRFCIJBXSA-N 373.500 5.906 0 1 FKAF c1ccc(Oc2ccc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c3c2)cc1 586888672 LQKLPKRIKQAGCL-YKSBVNFPSA-N 352.437 5.727 0 1 FKAF CCCc1sc(=N)[nH]c1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587013220 KDVNCQOULOPQAD-UHFFFAOYSA-N 366.515 5.203 0 1 FKAF CCc1cc(OCc2nc3ccc(Br)cc3[nH]2)ccc1Cl 587052628 FJHMJMMKZKUSKI-UHFFFAOYSA-N 365.658 5.120 0 1 FKAF Fc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587063847 ZNFRSDFGHTZTAV-UHFFFAOYSA-N 352.796 5.601 0 1 FKAF CC1=C(C)O[C@](C)(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC1 587100735 GLUIOCGPZMXGQV-VWLOTQADSA-N 369.464 6.074 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(F)cc(F)c3[nH]2)c1 587158797 JHXYMTQVSVFYIR-UHFFFAOYSA-N 368.358 5.247 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(C)cc3[nH]2)c1 587195445 HMTQIIWPMQFXQK-UHFFFAOYSA-N 351.450 5.218 0 1 FKAF Cc1c(CC(=O)c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587205543 BZDHUWWVFUZBHI-UHFFFAOYSA-N 363.416 5.180 0 1 FKAF CCCC[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356644 QWCFDCJLTKJTKC-FQQGMQMYSA-N 368.448 5.619 0 1 FKAF CC[C@H]1C[C@@H](C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587366922 OJRVTGCBYJWTKD-CVEARBPZSA-N 371.480 6.733 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(C(F)(F)F)c1)(C(C)C)O2 587380346 DJUAWSCKTSMWDT-LJQANCHMSA-N 363.379 5.113 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(/C=C/c3ccccc3)cc1)O2 587406444 RBTUGHOZYHMYIM-MNQSQUENSA-N 355.437 5.454 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@](C)(CC)Oc2ccccc21 587484147 RYCWVVBGOYHPIX-XZOQPEGZSA-N 366.457 5.157 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)noc1-c1ccccc1)CC2=O 587487901 YNAABORGMBVNON-IBGZPJMESA-N 363.413 5.015 0 1 FKAF O=C1C[C@H](c2ccc3ccc(Cl)cc3n2)Oc2c1ccc1c2CCCC1 587501181 RAYWUXVVPGPENG-OAQYLSRUSA-N 363.844 5.474 0 1 FKAF COc1cccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512088 KPPKYAWNCFFXGU-HSZRJFAPSA-N 373.452 5.071 0 1 FKAF Cc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)o1 587532255 KCBSZKCSHFTXFG-QHCPKHFHSA-N 358.437 5.840 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(OC)c3)c(C(=O)C(F)F)c2c1 587641923 KSXQLHVJSZXHHI-LBPRGKRZSA-N 357.400 5.805 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(-c3cccc(F)c3)c2c1 587643127 RTERZEJFLNMXQG-HNNXBMFYSA-N 361.435 7.294 0 1 FKAF COc1cc(C)ccc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587924757 FDOCZBVQYVEUMX-UHFFFAOYSA-N 356.731 5.099 0 1 FKAF Cc1cc2c(cc1F)[C@@H](c1ccc(Oc3ccc(Cl)cc3)cc1)NCC2 962087991 BYGSTFNHWRSDEX-JOCHJYFZSA-N 367.851 5.815 0 1 FKAF C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)CCC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356692365 SZIOQOXLFOEUNT-AAUNPNMYSA-N 369.637 6.542 0 1 FKAF Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ccccn1 13682537 PKEACRBQVJRIPG-UHFFFAOYSA-N 371.362 5.405 0 3 FKAF O[C@H](c1ccccc1)c1nc(/C=C/c2ccc(C(F)(F)F)cc2)cs1 61926527 BJMCEDJUPVGYEE-VGMNTSGFSA-N 361.388 5.414 0 3 FKAF CCCC[C@@H](c1cccc(F)c1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 22941655 IUNNNLPJQWHQNA-ACRUOGEOSA-N 360.904 5.485 0 1 FKAF C[C@H]1CC=C([C@H](Oc2ccc(Br)cc2)c2ccccc2)CC1 26848677 JPPODZMGZNOWLX-MGPUTAFESA-N 357.291 6.316 0 1 FKAF C(CCCCCCNC1=NCCCC1)CCCCCNC1=NCCCC1 28865584 KFKANPBZYWZYIZ-UHFFFAOYSA-N 362.606 5.231 0 1 FKAF CN(CCCCOc1ccccc1CCc1ccccc1)c1ccccc1 29479998 SQRZOICMCOOWNV-UHFFFAOYSA-N 359.513 5.767 0 1 FKAF COc1ccc(C[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 33493890 SEFBCLQOSKLKJN-HNNXBMFYSA-N 361.272 5.225 0 1 FKAF CC[C@H](COc1c(Cl)cccc1Cl)OC(=O)NCc1ccccc1 38288867 KWCHXBDWKVQNSZ-CQSZACIVSA-N 368.260 5.077 0 1 FKAF c1ccc(-c2ccc([C@@H](c3cc4ccccc4o3)n3cncn3)cc2)cc1 40393422 UBVFOVYNDIFYBG-QHCPKHFHSA-N 351.409 5.329 0 1 FKAF CCCCCC1=NN(C(=O)NC2CCCCCC2)C[C@@H]1c1ccccc1 62225225 DFIHCADLCKNLLP-HXUWFJFHSA-N 355.526 5.455 0 1 FKAF C[C@@]12C=C(/C=C\c3ccc(F)cc3)[C@@](C)(C1)[C@H](c1ccc(F)cc1)CC2=O 66129013 MLERNJKRLAOFMP-BOVYDEQCSA-N 364.435 6.077 0 1 FKAF COc1ccc(C(=O)CN2c3ccccc3Oc3ccc(Cl)cc32)cc1 72108717 ZSRJXMJFHJAHAY-UHFFFAOYSA-N 365.816 5.475 0 1 FKAF FC(F)(F)c1ccccc1-c1nc2ccccn2c1NC1CCCCC1 72176172 UXBAURASJWSDAX-UHFFFAOYSA-N 359.395 5.765 0 1 FKAF C[C@H]1C[C@@H](NCc2coc(-c3ccc(C(F)(F)F)cc3)n2)CC(C)(C)C1 72185853 QDUCWFGXRXDLME-XJKSGUPXSA-N 366.427 5.665 0 1 FKAF Cc1cccc(Oc2ccc(-c3nc(C4CCC4)n4ccnc(N)c34)cc2)c1 95581078 CELURADMDMYMSS-UHFFFAOYSA-N 370.456 5.347 0 1 FKAF CC[C@H](C)CC[C@H](CC[C@@H](C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191722 OFIAQLKCCAODLR-OJJQZRKESA-N 352.691 9.134 0 1 FKAF biogenic Cc1cc2nc(/C=C/c3ccco3)n(Cc3ccc(Cl)cc3)c2cc1C 205198590 LFMQZZANROCXPM-MDZDMXLPSA-N 362.860 6.118 0 1 FKAF CC(=O)O[C@]1(C)CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC[C@H](C)CC(=O)O 504550540 UUVHOZKAPKYWRN-CBJPPDNLSA-N 366.542 5.442 0 1 FKAF biogenic CCc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1CC 586878545 GADBXWGBZTYGGR-UHFFFAOYSA-N 352.787 6.027 0 1 FKAF Cc1ccc(CSCCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 586969930 BLHGHDXJJAQABL-UHFFFAOYSA-N 352.290 5.049 0 1 FKAF Cc1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2n1 587015273 JNWPZUWICDPXFB-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587058111 DGQAOMXSNUWQNJ-LBPRGKRZSA-N 371.815 5.071 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(C=O)cs4)nc13)-c1ccccc1C2=O 587103636 ZKSXWFAXKCOPQN-UHFFFAOYSA-N 355.418 5.296 0 1 FKAF CC(C)(C)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2n1 587134534 MTQHGCDPTDDMJH-DAXSKMNVSA-N 367.321 5.121 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(F)c(C)c3[nH]2)c1 587238755 OLYAHMZZWIQSBG-UHFFFAOYSA-N 360.436 5.620 0 1 FKAF Cc1cc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587352729 MBJOLOKICGEQRB-SIKLNZKXSA-N 366.388 5.015 0 1 FKAF O=C1C[C@H](c2c(O)[nH]c3ccc(Cl)cc23)Oc2c1ccc1c2CCCC1 587502436 VNBRABUGRVYONS-GOSISDBHSA-N 367.832 5.112 0 1 FKAF CC[C@@]1(c2c(F)cccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587509077 WDNDKEZGOYLHPX-NRFANRHFSA-N 358.840 5.629 0 1 FKAF CC(C)(C)[C@]1(CC2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587522597 JDSARJZLWRYQKN-DEOSSOPVSA-N 354.534 6.286 0 1 FKAF C[C@]1(CSc2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587530683 DGQSLKIYXPEDJL-OAQYLSRUSA-N 372.917 5.735 0 1 FKAF COc1cccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)c1 587628475 LOTCCCUWKQBPHV-UHFFFAOYSA-N 371.717 5.219 0 1 FKAF Cc1c(CC(=O)c2ccc(C(F)(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 587629934 OCZMWMKDVFVSHY-UHFFFAOYSA-N 369.745 5.713 0 1 FKAF CC(C)(C)OC(=O)Nc1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587630703 AQKYKVIIRWTFAG-UHFFFAOYSA-N 360.816 5.974 0 1 FKAF Cc1c(-c2ccc(Br)cc2C(F)(F)F)[nH]c2cccc(F)c12 587634345 VKVZTNIJFBVOPZ-UHFFFAOYSA-N 372.159 6.064 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(OC)cc3)c2c1 587641374 ILEKJMPZQWCVED-GFCCVEGCSA-N 357.400 5.859 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(O)cc3)c(C(=O)C(F)(F)F)c2c1 587642469 SHOYWRLMLOHSGU-NSHDSACASA-N 361.363 5.799 0 1 FKAF CC(C)[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587818407 CZDJMZRDNKPUNA-IAISJRAMSA-N 354.307 5.164 0 1 FKAF Cc1cc(OC(C)(C)C)n(-c2cc(Cl)cc(Br)c2)c1O 587941790 VPAUWIBMYFNJLG-UHFFFAOYSA-N 358.663 5.085 0 1 FKAF CC[C@@]1(Cc2nc3ccc(Cl)c(C)c3[nH]2)CC(=O)c2ccccc2C1 587960021 JXSGAZCISPCZGE-NRFANRHFSA-N 352.865 5.293 0 1 FKAF COc1ccc2c(c1)[C@H](c1c(F)ccc(Cl)c1Cl)N(C(C)C)CC2 962092843 QWFPQZMFQOYZKS-LJQANCHMSA-N 368.279 5.497 0 1 FKAF C[C@]1(c2ccc(SC(F)F)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963104724 MGLDCKSDWOZCGY-JXFKEZNVSA-N 363.448 5.424 0 1 FKAF C(=C/c1ccc(OCc2ccccc2)cc1)\C1=N[C@@H](Cc2ccccc2)CO1 1772578355 JAZMVYWTJUGVAE-IGVGMEOHSA-N 369.464 5.319 0 1 FKAF CC[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356381732 XFQZMLHHLMNCGB-OLYVTEEGSA-N 362.554 5.102 0 1 FKAF CC1=C2C[C@]3(C)CC[C@H](C(C)C)[C@@H]3CC2=C(CO)C2=CC[C@H](C)[C@@H]2CC1 2356750891 LTSIYRVKEJCFIW-YGXAOBIYSA-N 354.578 6.450 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=CCN(CC(=O)O)C=C3CC[C@@H]12 2356854396 ROIGGZDZSZEDCH-IYRWYFENSA-N 357.538 5.240 0 1 FKAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCCC 4213760 VYTMIMPCYJIKLC-NHCUHLMSSA-N 374.525 5.016 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCOC 13761102 GMUJSLQGNHXBQA-ZKWNWVNESA-N 361.570 5.895 0 1 FKAF CCCN(CCC)[C@@H]1CCc2cc(CCc3ccc(O)cc3)ccc2C1 27330969 HLDNXAAXZRBYJW-HSZRJFAPSA-N 351.534 5.157 0 1 FKAF Cc1ccccc1[C@@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708174 GBDUIWBXAKZJPC-XMMPIXPASA-N 357.497 5.068 0 1 FKAF in-vivo CC(C)N(CCC(=O)c1ccc(Oc2ccccc2)cc1)Cc1ccccc1 45393781 QCZRAUBLGSITLN-UHFFFAOYSA-N 373.496 5.962 0 1 FKAF CC(=O)Nc1ccc(Nc2ccnc(Nc3ccc4ccccc4c3)n2)cc1 64527900 HQKCNTHZNHUPDZ-UHFFFAOYSA-N 369.428 5.075 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OC(F)(F)F)cc2)n1 72182988 OPJZSVFUNXTTRD-CYBMUJFWSA-N 356.388 5.299 0 1 FKAF CCCCCc1ccc([C@@H]2COC(c3c(F)cccc3F)=N2)c(OCC)c1 103287975 FAZZZILTJPBQPS-IBGZPJMESA-N 373.443 5.614 0 1 FKAF CN1[C@H]2CC[C@H]1CC(O[C@@H](c1ccc(F)cc1)c1cccc(Cl)c1)C2 140120488 ISSICWWQXUMDRL-ZJOUEHCJSA-N 359.872 5.210 0 1 FKAF COc1cc(-c2nc3cc(F)cc(F)c3[nH]2)cc(Cl)c1OCC(C)C 587046361 PIBUALMMMXPZRD-UHFFFAOYSA-N 366.795 5.205 0 1 FKAF Cc1cccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587057704 UFQVOOYUWNRBQK-UHFFFAOYSA-N 373.239 6.017 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(N)ccnc2[nH]1 587072534 RTTXVAQSTDJHTG-JXBCQSMISA-N 373.287 5.213 0 1 FKAF Cc1ccc2c(c1)OCCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587209748 UWHZQDUEWKZVPC-UHFFFAOYSA-N 363.416 5.357 0 1 FKAF CC1(C)C([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C 587353576 LHXQFIARIAWTFX-WZONZLPQSA-N 368.448 5.331 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(C)cc1)CC2=O 587472118 YMLIBNQQQLCTFL-JOCHJYFZSA-N 361.441 5.150 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1OC)(C(C)(C)C)CC2=O 587475553 AMKMUTMXMJJCRJ-QHCPKHFHSA-N 368.473 5.260 0 1 FKAF CC(C)c1c(-c2cccc(Br)c2)[nH]c2ccc(F)c(Cl)c12 587628186 JKNPYGPXZLEISJ-UHFFFAOYSA-N 366.661 6.513 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(Cl)c2)N1 587736383 ZPJNCIGAFISUFB-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c2ccccc12 587802848 NXIXLJJEFOKYGI-GIGQVBGESA-N 373.269 5.002 0 1 FKAF COc1ccc2c(c1OC)[C@H]([C@H](C)[C@H](C)CCC=C(C)C)N(C)[C@H](C)C2 962616667 AMCUJBRTIRNFGA-IDVKNYFZSA-N 359.554 5.640 0 1 FKAF c1ccc(-c2cccc3c2[C@H](c2cccc(-c4nccs4)c2)NCC3)cc1 962657923 DMXANVRTRVSUTM-QHCPKHFHSA-N 368.505 5.712 0 1 FKAF FC(F)(F)c1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)s1 963114962 YJSOYTCIEJXPKU-ZDUSSCGKSA-N 352.208 5.309 0 1 FKAF O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1 1857538196 QTBDUEDRDLAUAM-UHFFFAOYSA-N 371.524 5.757 0 1 FKAF CCN(CC)c1ccc(NC(=O)c2c(-c3ccc(C)s3)noc2C)cc1 1857547667 FGECMVAFDCPQHQ-UHFFFAOYSA-N 369.490 5.118 0 1 FKAF CC(C)C1=C[C@H]2[C@](C)(CC1)[C@@H](O)CC[C@@]2(C)OC(=O)C=Cc1ccccc1 2356560884 IHVHEWJJIVUKSI-HIGZBPRKSA-N 368.517 5.155 0 1 FKAF COc1ccc(C(=O)O[C@@H]2CC(C)=CCCC(C)=C[C@@H]3[C@@H]2C3(C)C)cc1 2356784698 PSEUVXLMKIAASF-NJYVYQBISA-N 354.490 5.569 0 1 FKAF CC(C)=CCC(C)=CCC(C)=CCC[C@]1(C)CCc2cc(O)ccc2O1 2356794206 LAFWGERDGWLBSH-XMMPIXPASA-N 354.534 6.895 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C=C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 2356811157 BESWZNZZPZNJEO-HCFPARHQSA-N 358.566 6.312 0 1 FKAF CN1C[C@@H]2[C@@H](c3ccccc3)C3(c4cccnc4)CC2(C3)[C@H]1c1ccccc1 8690100 UKSLWRALKJDMKI-MUUWIZIASA-N 366.508 5.200 0 3 FKAF O=c1cc(Cc2c(Cl)cccc2Cl)nc(SC2CCCCC2)[nH]1 13556506 ANJWDLPRKFUSOO-UHFFFAOYSA-N 369.317 5.092 0 1 FKAF C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCc1ccccc1 13726152 IJEJDENYUZSCNV-NGXZDTIWSA-N 363.545 5.329 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC=C2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820810 UQPIULZJRWFWKS-OJGYMRIJSA-N 374.565 5.427 0 1 FKAF NC[C@@H](O[C@@H](c1ccccc1)c1ccc(Cl)cc1Cl)c1ccccc1 45358829 LOIQBFGRVRSEIL-RTWAWAEBSA-N 372.295 5.799 0 1 FKAF Cc1ccc(Cc2cc(O[C@H]3CCCC[C@@H]3C)c(C(C)C)c(=O)[nH]2)cc1 95587843 IEEKRCLQMYQEAW-PXNSSMCTSA-N 353.506 5.355 0 1 FKAF C=C(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1 96168293 SPNPVSPIPBNQBG-UHFFFAOYSA-N 366.468 5.308 0 1 FKAF Cc1ccc(CNc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1 103292516 ASBVYMUMYMCDQC-UHFFFAOYSA-N 357.379 5.391 0 1 FKAF CN(C)CCC[C@]1(c2cc(Cl)cc(Cl)c2)OCc2ccccc21 142568774 XHCMUOJNYGMCOY-LJQANCHMSA-N 350.289 5.109 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(N)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 169323100 HPKXOIUOAUEOCY-OKZBNKHCSA-N 369.593 7.333 0 1 FKAF C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2cccc(Cl)c2)n(-c2ccccc2)n1 204749996 RNOWZFOOKJOJKE-DYVFJYSZSA-N 366.852 5.293 0 1 FKAF COc1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccsc2)c1 218300416 WLBSRNVOWBJPGJ-FQEVSTJZSA-N 362.454 5.274 0 1 FKAF OCCCCCCCCCCCc1nc2cc(Cl)nc(Cl)c2[nH]1 586894625 PGXIJWGVHCKGLD-UHFFFAOYSA-N 358.313 5.310 0 1 FKAF Cc1cccc2c1[C@H](C)c1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991061 QSESLBMSMIEYLB-ZDUSSCGKSA-N 363.416 5.592 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(O)c(F)c4)nc13)-c1ccccc1C2=O 586997459 YBMNZMMIPVAUGZ-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(C(C)(C)C)cc2[nH]1 587010863 DYRGAAGXBNLCBI-UHFFFAOYSA-N 361.514 5.883 0 1 FKAF Fc1cc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2cc1F 587065237 WJEGXLBEBCRKCB-UHFFFAOYSA-N 360.747 5.334 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(Cl)c(F)c(F)c2[nH]1 587066388 MHMGIACKXQTLGX-UHFFFAOYSA-N 371.214 5.468 0 1 FKAF Cc1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587069661 MAYWGJZAEZOWBC-CAPFRKAQSA-N 372.899 6.698 0 1 FKAF Fc1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1F 587123673 FXCBIOQCVUTUDS-FPYGCLRLSA-N 356.319 5.623 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cncc(Cl)c4[nH]3)c(Cl)c2)cc1F 587145877 UELULYZCIYZODQ-UHFFFAOYSA-N 372.230 6.046 0 1 FKAF Fc1ccc(/C=C(/c2nc3cc(Cl)cnc3[nH]2)c2cccs2)cc1 587163463 JETVIALYLMCUMS-RIYZIHGNSA-N 355.825 5.401 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)nc2cccc3c2c1CC3 587213328 IHYZLWRLFRHDTO-JAGDBARYSA-N 373.584 7.604 0 1 FKAF O=C(CC(c1ccccc1)c1ccccc1)c1coc2ccc(Cl)cc12 587275616 CLVRTSTXRLNMBU-UHFFFAOYSA-N 360.840 6.491 0 1 FKAF CCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCC 587365650 NEAZEVAZMGYPEE-UHFFFAOYSA-N 373.496 6.952 0 1 FKAF CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1-c1ccccc1 587398627 FUZUFAFIESFMOW-HSZRJFAPSA-N 373.452 5.349 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c1ccc1ccccc13)CC2=O 587483880 MTQURXVVMUIRQS-QFIPXVFZSA-N 371.436 5.686 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-c3ccccc3)c1)CC2=O 587490093 RMSSYSJZHBEQQO-VWLOTQADSA-N 372.464 5.892 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccc(O)cc3)cc2)Oc2c1ccc1c2CCCC1 587529399 BICFMZHTFPCBLX-DEOSSOPVSA-N 370.448 5.645 0 1 FKAF CC(C)C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599322 FFVMXEODLZVXAD-PGRDOPGGSA-N 354.446 5.185 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@@]2(C)C3(C)C)N1 587817022 HHUDOZMGSPWPSJ-CTCWLNEKSA-N 366.318 5.164 0 1 FKAF CC1=C([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CC=C1 587823763 RLFQDHZJXMUAIG-KPZWWZAWSA-N 364.302 5.466 0 1 FKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(C)c(Br)cc2[nH]1 587931338 SDWKKRGSGGKUJH-BFUOFWGJSA-N 371.278 5.088 0 1 FKAF COc1ccc(OC(C)(C)C)n1CCCc1ccc(Cl)c(Cl)c1 587943348 XMUXXNUDOAHNSW-UHFFFAOYSA-N 356.293 5.614 0 1 FKAF C(=C/c1ccccc1Oc1ccccc1)\c1nc2cc3c(cc2[nH]1)OCO3 587949840 LGEYGPFGEMKJST-ZHACJKMWSA-N 356.381 5.254 0 1 FKAF O=C(O)c1cccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587950103 PJPOORHLHITWJP-BUHFOSPRSA-N 356.381 5.224 0 1 FKAF Fc1cnc(Br)c2[nH]c(/C=C\c3cccc4ccccc34)nc12 587970185 ZNNUDYBNAHMXHP-HJWRWDBZSA-N 368.209 5.183 0 1 FKAF Fc1ccc([C@]2([C@@H]3NCCc4cccc(-c5ccccc5)c43)CCOC2)cc1 962670485 RLRBPTWGCCTIMK-RPBOFIJWSA-N 373.471 5.038 0 1 FKAF COc1ccc([C@H](C)[C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1OC 962671755 UXFPQYCTLXREPJ-SSOJOUAXSA-N 373.496 5.361 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)cc2)oc2c1cc(O)c1ccccc12 1857648978 JREQXKPZKDCBPN-UHFFFAOYSA-N 366.800 5.789 0 1 FKAF CCCCCc1oc(C=CCCCCCCCCC(=O)OC)c(C)c1C 2356636720 RUCZWPKXLJSUKH-UHFFFAOYSA-N 362.554 6.936 0 1 FKAF CCCC/C=C1/[C@H](c2ccccc2)N(C)C2=N[C@@H](c3ccccc3)CC(=O)N21 205716982 OMJCCYYNBCJNOL-FVAMHUBNSA-N 373.500 5.077 0 3 FKAF CC1(C)CC(=O)c2c(Sc3cccs3)sc(-c3cc[nH]n3)c2C1 13520383 VQAWSSJLGHVFHE-UHFFFAOYSA-N 360.529 5.506 0 1 FKAF Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(S)s2)c1Cl 13828115 GSDDMNUUKSXZMH-UHFFFAOYSA-N 368.314 5.853 0 1 FKAF Cc1noc(C)c1-c1ccc2ncnc(NCc3ccccc3Cl)c2c1 13828567 WQODZNJCGOBVMN-UHFFFAOYSA-N 364.836 5.167 0 1 FKAF Cc1c(C(=O)CCc2ccccc2)oc2cc(-c3ccccc3)cc(O)c12 27523415 BXZYRTVORXZLHC-UHFFFAOYSA-N 356.421 5.929 0 1 FKAF CCCC[C@]1(CC(=O)O)OCCc2c1sc1c(Cl)ccc(Cl)c21 28567880 GKDYSNBFODVCMO-QGZVFWFLSA-N 373.301 5.641 0 1 FKAF CCCCC/C=C\C=C\[C@H](O)C/C=C\C/C=C\C/C=C\CCCCC(=O)O 40861698 WCPFNHAOKQUJEV-XOXYUZRWSA-N 374.565 6.524 0 1 FKAF in-vitro O=C(CCCCCCc1ccccc1)c1ncc(-c2ccccn2)s1 40877278 LZTBJOAFQKXUPP-UHFFFAOYSA-N 350.487 5.581 0 1 FKAF Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNC(C)C)c4)s3)nc12 45187505 WVZCXHZYCWSVPA-UHFFFAOYSA-N 361.514 5.765 0 1 FKAF Oc1ccc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2c1 53314808 NVSGUFDMHVIJPL-UHFFFAOYSA-N 370.330 5.963 0 1 FKAF C[C@H]1C[C@H](Nc2cc(-c3cccc(-c4ccccc4)c3)ncn2)CC(C)(C)C1 82162436 OXQCODDWSQGABT-AVRDEDQJSA-N 371.528 6.437 0 1 FKAF CC(=O)OCC[C@H](C)CC[C@@H]1C(C(=O)O)=CC[C@H]2C(C)(C)CCC[C@]12C 85994217 CXKZOELQYJVEMI-HCBXPFHNSA-N 364.526 5.219 0 1 FKAF biogenic c1ccc2sc(Oc3ccc4c(CN5CCCCC5)coc4c3)nc2c1 95598339 XAILZKMAGMYSMC-UHFFFAOYSA-N 364.470 5.821 0 1 FKAF CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)CC(=O)C3CC3)cc2)cn1 96167504 IOCZXRTZGAEBMP-KRWDZBQOSA-N 367.489 5.599 0 1 FKAF CN(C)[C@H]1CC[C@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc32)CC1 101509262 WNDQUNBYWXFFGU-FZNQNYSPSA-N 366.534 5.255 0 1 FKAF CC[C@H]1O[C@@H]2c3ccccc3CO[C@@H]2[C@H]1OCc1ccc2ccccc2c1 103286084 SRRVHOQSQMKOLD-LWSSLDFYSA-N 360.453 5.174 0 1 FKAF O=C(Nc1ccccc1F)Nc1ncccc1OCc1ccc(Cl)cc1 206957544 CYCMNYXBWINXDG-UHFFFAOYSA-N 371.799 5.097 0 1 FKAF CCCn1c2cc(OCCC(C)C)ccc2c2cc[n+](CCC)c(C)c21 299844602 JVXMFTNBLUHKKD-UHFFFAOYSA-N 353.530 5.635 0 1 FKAF Cc1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2cc1F 586879230 MQMXWLZVWIZGLM-UHFFFAOYSA-N 360.388 5.351 0 1 FKAF Cc1onc(-c2nc3c(Cl)cccc3[nH]2)c1COc1ccccc1Cl 587063691 SGMOGDXYVKDBRZ-UHFFFAOYSA-N 374.227 5.412 0 1 FKAF Cc1cnc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 587069445 AQJFWSALEUGCDY-UHFFFAOYSA-N 355.228 5.302 0 1 FKAF Cc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1C 587080969 ILRMEDYYNJNFFO-UHFFFAOYSA-N 373.847 5.210 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3ccccc3cc2[nH]1 587113950 PEPZQVSECWEYOS-ZDUSSCGKSA-N 354.375 6.081 0 1 FKAF FC(F)(F)c1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587114170 XGHUBIFCPNAFCD-UHFFFAOYSA-N 368.358 5.828 0 1 FKAF C[C@H](c1nc2ccc(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130524 TXMWKTJSAUUYGB-RXMQYKEDSA-N 364.705 5.036 0 1 FKAF CC(C)c1c(Cc2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587205863 GQLJTZYTVLUAPH-UHFFFAOYSA-N 363.460 6.160 0 1 FKAF CCCC[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358937 YXHIWGXNPZYESA-UNMCSNQZSA-N 356.437 5.475 0 1 FKAF CC[C@@]1(c2ccc(F)c(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587383662 ZKXLZOLQSHNQFM-SFHVURJKSA-N 367.342 5.006 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccn3)s1)CC2=O 587492893 CZZWPWIARMYFIL-GOSISDBHSA-N 365.454 5.175 0 1 FKAF O=C1C[C@@H](c2ccc(C(F)(F)F)cc2F)Oc2c1ccc1c2CCCC1 587506487 JTSKQLNOXMCUNI-SFHVURJKSA-N 364.338 5.430 0 1 FKAF COc1c(C)cc(C)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521417 BZUCVNSMBWPINL-QHCPKHFHSA-N 350.458 5.071 0 1 FKAF O=C1C[C@H](c2ccc(Br)s2)Oc2c1ccc1c2CCCC1 587533542 WUTBSKNKRSNKOT-CQSZACIVSA-N 363.276 5.096 0 1 FKAF O=C(c1cccc2ccccc12)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 587633542 GEDWZUQYEMEUEP-UHFFFAOYSA-N 357.306 5.710 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(Cl)cc3)c2c1 587642761 VGLRTDRBDKLOON-LBPRGKRZSA-N 369.848 5.352 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(F)F)c2)N1 587717644 LUZGUTLSABNPBX-XXFAHNHDSA-N 370.212 5.149 0 1 FKAF C[C@@H](C1CCCCC1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587811899 IFDIGVDBORLFBZ-QHRIQVFBSA-N 368.334 5.554 0 1 FKAF CC(C)=CC[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815977 RZEINKPKLDMHPH-SGTLLEGYSA-N 352.291 5.084 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(/C=C/c3cccc4ccccc34)nc2c1 587966345 BLZPFBNAQNOGPC-CMDGGOBGSA-N 356.322 6.044 0 1 FKAF CCc1cc(C(=O)O)c2c(C(CC)CC)nn(-c3ccc(Cl)cc3)c2n1 1857581687 KQOHIJYTBRKKNU-UHFFFAOYSA-N 371.868 5.238 0 1 FKAF Oc1ccc(C2=CCCC[C@]23C=Cc2c(cnn2-c2ccc(F)cc2)C3)cc1 1857589535 FFKAKVHDQLARRR-XMMPIXPASA-N 372.443 5.540 0 1 FKAF Cc1cc(C)n2c(Nc3c(C)cccc3C)c(CCc3ccccc3)nc2n1 4381703 DMZPXRNISWZCDW-UHFFFAOYSA-N 370.500 5.492 0 3 FKAF COc1ccccc1CCn1cnc(-c2ccccc2OC)c1CC(C)C 169304271 OGKKJWHNSFBBNC-UHFFFAOYSA-N 364.489 5.009 0 3 FKAF COc1ccc2cc([C@@H](C)[C@@H](O)c3cc(F)c(F)c(F)c3F)ccc2c1 1635375 DHLOUZZUEJCHDZ-CFMSYZGJSA-N 364.338 5.242 0 1 FKAF CCCCN(CCCC)C[C@H](O)c1cc2ccccc2c2ccsc12 2008242 ZVUGFVRUENWPOO-NRFANRHFSA-N 355.547 5.990 0 1 FKAF Clc1ccc([C@@H]2[C@@H]3COc4ccccc4C3=NN2c2ccccc2)cc1 5822818 FMMCIVXQBOSDGP-DENIHFKCSA-N 360.844 5.314 0 1 FKAF O=C(O)c1ccc(OCCCCCC2c3ccccc3-c3ccccc32)cc1 13741284 NNSPKAWEYMENNA-UHFFFAOYSA-N 372.464 6.137 0 1 FKAF C[C@]12CC[C@H](S)C[C@H]1CC[C@H]1C3=CC[C@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@@H]12 27524139 AKVQZCLFNIRFEL-HHALRHBMSA-N 372.574 5.347 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](O)[C@@H]1CCC(=O)O1 28340010 OTJVMNKQLGLEDZ-SNCLRWGNSA-N 358.522 5.585 0 1 FKAF CNC(=O)CCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1 28822109 AOKBDJJFRJTNHT-UHFFFAOYSA-N 353.506 5.260 0 1 FKAF CC(C)(C)C1CCN(c2ccc(N)cc2C(=O)c2ccc(Cl)cc2)CC1 29325268 XKXXQOKIOYUIFG-UHFFFAOYSA-N 370.924 5.416 0 1 FKAF N[C@@H](COCc1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 29553784 UJJFHEWMBRIBGS-NRFANRHFSA-N 351.877 5.016 0 1 FKAF Fc1ccc2c(C3=CCN([C@@H]4Cc5cccc6cccc4c56)CC3)c[nH]c2c1 36311393 OXZFNGHFFSZQER-XMMPIXPASA-N 368.455 5.847 0 1 FKAF COc1ccc(OC)c(CCCCCCCCCCCCCCCO)c1 40564199 FAAMSPBARYOLCW-UHFFFAOYSA-N 364.570 6.310 0 1 FKAF COc1ccc([C@H](Sc2ccc3ccccc3c2)c2cccnc2)cc1 43014646 JGVRYGGYUBWTQV-QHCPKHFHSA-N 357.478 6.125 0 1 FKAF Oc1ccc(-c2ccc(-c3cn(CSc4ccccc4)nn3)cc2)cc1 66114041 AGYCMYUJQJYIOQ-UHFFFAOYSA-N 359.454 5.068 0 1 FKAF O=NN1[C@H](c2ccccc2)CC(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1 72171797 FBRWNHRLJWXKFA-PMVMPFDFSA-N 356.425 5.209 0 1 FKAF c1ccc(Oc2cccc(-c3nnc4ccc(-c5ccccc5)nn34)c2)cc1 82060557 YIAGARUZWHGREX-UHFFFAOYSA-N 364.408 5.251 0 1 FKAF Cc1cccc(-c2nc(NCC3CCCCC3)ncc2-c2ncc(C)o2)c1 82219858 SYOUOHFKYIYWML-UHFFFAOYSA-N 362.477 5.408 0 1 FKAF c1ccc(C[n+]2ccn([C@H](c3ccccc3)c3cc4ccccc4o3)c2)cc1 95590306 IBYZNLGVLQZQST-RUZDIDTESA-N 365.456 5.208 0 1 FKAF Fc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)N2c2ccccc2)cc1 103184140 VLGMEZOOLGNFIU-FQEVSTJZSA-N 352.796 5.376 0 1 FKAF Cc1cccc(Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)c1 103229182 GOXIVRYHYOHQOB-UHFFFAOYSA-N 352.356 6.020 0 1 FKAF Cc1ccc([C@@H](C)n2cc(-c3ccc4oc5ccccc5c4c3)nn2)cc1 103237892 LOKXJVUUPQQRAC-MRXNPFEDSA-N 353.425 5.762 0 1 FKAF C/C(=C\c1nsc(Nc2cccc(Cl)c2)n1)NC1CCCCCC1 103947593 JLTLVQPZCRGDGJ-ACCUITESSA-N 362.930 5.608 0 1 FKAF CC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2scnc12 169704418 YQUGMLHOSTWCGM-MRXNPFEDSA-N 365.502 5.403 0 1 FKAF O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1 586880099 KZAPUWGQWGCRLX-UHFFFAOYSA-N 352.437 5.728 0 1 FKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 586884773 ARMLLJORMDVSPP-HXOBKFHXSA-N 372.468 5.287 0 1 FKAF Cc1c(Br)ccc2nc([C@@H](C)SCc3ccccc3)[nH]c12 586962048 AWERMYWQMBACAQ-GFCCVEGCSA-N 361.308 5.628 0 1 FKAF Cc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1C 587040810 RGVKHWHTIJJYTG-UHFFFAOYSA-N 371.509 6.025 0 1 FKAF CCOc1n[nH]c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1Cl 587065436 QKQUOWDYQPHSDI-UHFFFAOYSA-N 370.865 5.156 0 1 FKAF Cc1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 587068230 MTSIWJYWKWBGQJ-UHFFFAOYSA-N 374.831 5.637 0 1 FKAF Cc1cc(C)c2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1 587128597 CBOFZDGILGAFMQ-QMMMGPOBSA-N 374.769 5.514 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(C)cc(C)c3[nH]2)c1 587158267 BMTIYMHSSOTASB-UHFFFAOYSA-N 360.432 5.585 0 1 FKAF Cc1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2cc1Cl 587159256 VUELKOWRPBQWSW-UHFFFAOYSA-N 364.807 5.810 0 1 FKAF Cc1ccc2nc(C)c(CCc3cc4c5c(cccc5n3)CC4)c(Cl)c2c1 587209616 UOKSSTYRCHKRDS-UHFFFAOYSA-N 372.899 5.937 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H]2c2ccccc2)[C@H]1c1ccc(F)cc1 587352164 IMYCRRAIVNSCEM-SSPYTLHUSA-N 374.411 5.207 0 1 FKAF COc1cccc(-c2cc(-c3c(C)c[nH]c3C)nc3c2oc2ccccc23)c1 587363212 OZGNIPGEDAOIMR-UHFFFAOYSA-N 368.436 6.269 0 1 FKAF CC[C@@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1=O 587365890 JNDVCOYWCIKEIY-CYBMUJFWSA-N 357.409 5.422 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(CCSc1ccc(F)cc1)CC2=O 587473262 ZCMPKLXOEQAMEA-OAQYLSRUSA-N 374.477 5.390 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC1CCCC1)(c1ccccc1)CC2=O 587478191 BJTYELVAYXCFDM-XMMPIXPASA-N 364.485 5.786 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1c1ccccc1)CC2=O 587485554 VYALDRAOFDWOKL-AUSIDOKSSA-N 350.458 5.407 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1CCc1ccccc1)CC2=O 587486007 WOEDXBKRSQTFGX-MHECFPHRSA-N 364.485 5.482 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC(C)C)(c1ccccc1C)CC2=O 587487543 FKJZNFSYMLDXRW-QHCPKHFHSA-N 352.474 5.560 0 1 FKAF CCOc1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587520640 AAGUWXKMWXHGGH-NRFANRHFSA-N 350.458 5.287 0 1 FKAF O=C1C[C@]2(CCc3sc4ccccc4c32)Oc2c1ccc1c2CCCC1 587535529 LYRKQPJQJSWIBA-QHCPKHFHSA-N 360.478 5.587 0 1 FKAF Fc1cc(Cl)ccc1-c1[nH]c2ccc(F)c(Cl)c2c1-c1ncc[nH]1 587629388 NJINXAGJEWMVJB-UHFFFAOYSA-N 364.182 5.810 0 1 FKAF CCOC(=O)c1c(-c2ccc(F)c(Cl)c2)[nH]c2ccc([C@H](C)CC)cc12 587641523 JZCNJSWEZZXSJH-GFCCVEGCSA-N 373.855 6.318 0 1 FKAF CC(C)=CC[C@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816165 UYAMSTUNAYSCPK-ORAYPTAESA-N 366.318 5.474 0 1 FKAF CC[C@@H]1CC[C@H](C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587823681 QYNSVMVFTHGNGT-LFPKGMGHSA-N 354.307 5.164 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cccc(C(F)(F)F)c2[nH]1 587950899 GSGRLQABBROJKW-LBPRGKRZSA-N 356.347 5.875 0 1 FKAF CC1(C)CCC(Cc2nc3cc(Br)cc(Cl)c3[nH]2)CC1 587960931 CTQHMKSKMYTDPV-UHFFFAOYSA-N 355.707 5.738 0 1 FKAF COc1ccc(F)c(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1 653670150 LHWNLQRWSIPYSV-HXUWFJFHSA-N 363.436 5.089 0 1 FKAF Fc1cccc2c1[C@H](c1ccc(Cl)nc1C(F)(F)F)N1CCC[C@@H]1C2 963100726 JBDVORVGNUDAFI-BZNIZROVSA-N 370.777 5.003 0 1 FKAF O=C1CCCC2=Nc3ccc4ccccc4c3[C@@H](c3ccc(F)cc3F)[C@@H]12 1857579635 BDSQEWOLDRMDTE-DHIUTWEWSA-N 361.391 5.705 0 1 FKAF CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 1857766927 UKBPCUMOFHSMHB-MDWZMJQESA-N 361.407 5.333 0 1 FKAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccc(F)cc3C(F)F)nc2c1 2382254960 JGKUQHWBZKYFRA-RUZDIDTESA-N 369.279 5.141 0 1 FKAF c1ccc(CN2C(c3ccccc3)=Nc3ccccc3[C@@H]2c2ccccc2)cc1 2382259948 JNJSWUIXXCWAOV-SANMLTNESA-N 374.487 6.370 0 1 FKAF Cc1ccc2oc3c(SCc4nc5ccccc5[nH]4)nc(C)nc3c2c1 36380945 CVYUFOKKPBKLJQ-UHFFFAOYSA-N 360.442 5.161 0 3 FKAF CCC/C(=C1/c2ccccc2C(=O)N1c1ccccc1)c1c(C)noc1C 61969080 SJOCMMWYEIEGDT-LSDHQDQOSA-N 358.441 5.620 0 3 FKAF CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCCC5)C3)CCCC2 1855653 LAKZBSIRIVSSBG-UHFFFAOYSA-N 370.536 5.531 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](O)[C@H]1CCC(=O)O1 28340027 OTJVMNKQLGLEDZ-YNFNSHQQSA-N 358.522 5.585 0 1 FKAF COc1ccc(Oc2cc(NCc3ccccc3C)ncn2)c2ccccc12 82068408 FKXNFDBBWUOYCD-UHFFFAOYSA-N 371.440 5.351 0 1 FKAF O=C(Nc1ccccc1)Oc1cccc([C@@H]2CC(=O)c3ccccc3O2)c1 98082361 JCJPXMQOAWBSNL-NRFANRHFSA-N 359.381 5.004 0 1 FKAF CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3cc(C)ccc3s2)C1 103184898 JYMCIOLUPLMXGA-UHFFFAOYSA-N 362.498 5.156 0 1 FKAF COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1sccc1C 103232746 IBJZXKGHISDDBQ-IBGZPJMESA-N 350.439 5.181 0 1 FKAF Cc1cc(C[C@@H](C)[C@H]2CC[C@@H](C)[C@@H](c3ccc(O)c(C)c3)C2)ccc1O 105084829 VLPXHDDRKFSEFV-ZDRLFVKYSA-N 352.518 6.113 0 1 FKAF CC[C@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169359278 DAXMFHJYAYLAJM-HGWJQVHFSA-N 373.581 5.081 0 1 FKAF O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1CSCC1CCCCC1 169359594 NWFGCXFIIAQPKD-NECYKRBASA-N 366.567 5.295 0 1 FKAF Cc1cnc2[nH]c([C@H](Cc3cccc(Br)c3)CC(C)C)nc2c1 586982668 NZTMBHXRTKPTOZ-HNNXBMFYSA-N 372.310 5.401 0 1 FKAF CCc1c(-c2ncccc2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987478 BOUZYLNCDSWJEI-UHFFFAOYSA-N 366.420 5.085 0 1 FKAF O=C1c2ccccc2-c2c(C[C@H]3C[C@H]4CC[C@H]3C4)cnc3ccc(O)c1c23 586990719 FPNOIOWZFFQJMY-SOUVJXGZSA-N 355.437 5.131 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc5ccccc5cc4[nH]3)c(C)s2)cc1 587011701 BOVDGAXQKBZMFM-UHFFFAOYSA-N 355.466 6.123 0 1 FKAF COc1nccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587069597 DHPYSSCWWQUAHX-UHFFFAOYSA-N 371.227 5.002 0 1 FKAF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587118997 VNYHQWNAYZGKJM-UHFFFAOYSA-N 374.391 5.133 0 1 FKAF CC(C)Oc1cc2nc(-c3ccc(F)c(F)c3)[nH]c2cc1Br 587144408 VTXUXKGKUCHTBU-UHFFFAOYSA-N 367.193 5.058 0 1 FKAF CCc1ccccc1NC(=O)c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 587240597 GDDXATXUWUKHNX-UHFFFAOYSA-N 367.758 5.050 0 1 FKAF COc1cccc(-c2cc(Cc3cccs3)nc3c2oc2ccccc23)c1 587367019 WLYMEZKXUWOECS-UHFFFAOYSA-N 371.461 6.309 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3cccc(F)c3)cc1)O2 587383403 BIXYMXWSYCWQPL-OAQYLSRUSA-N 363.388 5.215 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](CCc1ccc(OC(C)C)cc1)CC2=O 587485392 WFWOBPQQOMMDBP-GOSISDBHSA-N 368.473 5.099 0 1 FKAF O=C1C[C@@H](c2ccc(-c3cccnc3)cc2)Oc2c1ccc1c2CCCC1 587514183 HFOKXQAPZNVLAV-QHCPKHFHSA-N 355.437 5.334 0 1 FKAF Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C2CCCCC2)n1 587516474 UCESKIMKRIHTBA-OAQYLSRUSA-N 364.489 5.053 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(C(F)F)c1 587554082 GWKMDTUHXYARDM-FXAWDEMLSA-N 368.335 5.033 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccccc3C(F)(F)F)c2c1 587642088 OGRBTTQFWIPDIT-GFCCVEGCSA-N 374.406 6.261 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(CCCN3C(=O)c4ccccc4C3=O)c2c1 587643851 XUIWCTKPPJKMHW-HNNXBMFYSA-N 374.484 5.219 0 1 FKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3F)c(-c3ccccc3)c2c1 587650449 WIRRFPGUPORNLD-UHFFFAOYSA-N 365.429 5.045 0 1 FKAF Cc1c(Br)cc2nc(COC/C=C\c3ccccc3)[nH]c2c1C 587781523 WEGWJXWSAJPXQV-TWGQIWQCSA-N 371.278 5.172 0 1 FKAF CCCCC(CCCC)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820748 QRORWSAJBLCVSP-BFUOFWGJSA-N 370.350 6.160 0 1 FKAF CC(=O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587949642 JPCPBRPQPJZAPB-WYMLVPIESA-N 354.409 5.728 0 1 FKAF CCC[C@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(C)C 587954652 DGVXTINOSZPVHU-VIFPVBQESA-N 363.221 5.884 0 1 FKAF c1ccc(-c2cccc3c2[C@H](c2ccc([C@H]4CCCCO4)o2)NCC3)cc1 962658480 CRUMKBFZOFVJSF-YKSBVNFPSA-N 359.469 5.423 0 1 FKAF C[C@]1(c2ccc(-n3cccc3)cc2)NCCc2cccc(-c3ccccc3)c21 962663574 GQNZIZLMKODLBO-AREMUKBSSA-N 364.492 5.554 0 1 FKAF Cc1cccc(CC[C@]2(c3ccccc3)NCCc3c2sc(C)c3C)c1 963004224 BJWTYMRDSYQHJY-XMMPIXPASA-N 361.554 5.695 0 1 FKAF COc1ccc(Cl)c2c1CCN[C@@]2(CC(C)C)c1ccc(Cl)cc1 963260457 WYGGFWGALJYUGP-FQEVSTJZSA-N 364.316 5.437 0 1 FKAF CC(=CCC[C@@H](C)[C@@]1(O)CCC(C)=CCC=C(C)CCC=C(C)CC1)CO 2356479946 JWZHMTWWNSZMAZ-JWQCQUIFSA-N 374.609 6.656 0 1 FKAF 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 2356557192 FEGCPHIPSRBREU-MXHLMSPNSA-N 374.565 5.283 0 1 FKAF CCCCC=CCCCCCCCCCCCCCc1cc(O)cc(O)c1 2356626817 KEAYVGHLOUCYNN-UHFFFAOYSA-N 374.609 8.068 0 1 FKAF Clc1ccc(C2=C[C@H](c3ccccc3)N3C(=N[C@H]4CCCC[C@@H]43)N2)cc1 5832809 UJRXKHRJJKJIQL-SESVDKBCSA-N 363.892 5.008 0 1 FKAF O=C(O)CCCCCCCCCCC/C=C/[C@@H](O)C=C=CBr 13379636 SDLIXPWBLXJLCF-NYLOSCBCSA-N 373.331 5.343 0 1 FKAF Cc1c(C)c(C=O)c(C)c([C@H](CCCCCC(=O)O)c2ccccc2)c1O 13456362 USVBAWGFPLBILY-LJQANCHMSA-N 368.473 5.297 0 1 FKAF CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12 13979252 QDUMTUZTHHQTAT-UHFFFAOYSA-N 363.454 5.009 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC[C@H](CCC(=O)O)OC 28130931 DBOOHYIROQIHFK-CXOOCOMNSA-N 374.565 6.788 0 1 FKAF CCC[C@]1(CC(=O)O)OCCc2c1sc1c(Cl)ccc(Cl)c21 28566875 JKKBPDMCEWOXKT-MRXNPFEDSA-N 359.274 5.251 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC[C@H]1n1ccnc1 40434388 MRFBVQCSZMKBFY-ATQVGMDSSA-N 366.505 5.650 0 1 FKAF in-vivo Cc1ccc2cc(-c3n[nH]c4ccc(NC(=O)c5ccccc5)cc34)[nH]c2c1 66079057 QZWQSFRWHQYAPC-UHFFFAOYSA-N 366.424 5.272 0 1 FKAF Cc1ccc(Nc2cc(Oc3c(C)cc(C)cc3C)c(Cl)nn2)cc1 95603975 CVBOGQPRYSSRKB-UHFFFAOYSA-N 353.853 5.900 0 1 FKAF Clc1cccc(Cl)c1-c1nnc(CCc2c[nH]c3ccccc23)o1 96917102 KDCFJRVRTCJAGY-UHFFFAOYSA-N 358.228 5.310 0 1 FKAF CCOC(=O)/C(=C/Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 101108702 LFUKCNNYTLVSDT-MHWRWJLKSA-N 370.663 5.663 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccccc2Cl)nn1 103187608 QNEMQBLEYYFWBK-UHFFFAOYSA-N 364.754 5.917 0 1 FKAF CSCCCCCc1cnc(C(=O)CCCCCCc2ccccc2)o1 103239587 RJEYAGCIJLPDHE-UHFFFAOYSA-N 373.562 6.126 0 1 FKAF O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1Cl 169702020 HPFXNUPQCOLILO-NRFANRHFSA-N 360.844 5.332 0 1 FKAF Cc1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc2cc1F 586879927 UYQZXIZCWQVSTJ-UHFFFAOYSA-N 360.388 5.351 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1C[C@H]3[C@H]2CCC[C@H]21 586990965 PDKMBPYGOKLWFI-SHUKQUCYSA-N 353.421 5.153 0 1 FKAF COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1F 586996163 QAKWDVAWIHEMFJ-UHFFFAOYSA-N 369.395 5.569 0 1 FKAF Cc1cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2cc1C 587049747 LCQQBIQIKKQTAJ-UHFFFAOYSA-N 360.844 5.980 0 1 FKAF COc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1F 587050673 QPNZPIGFYSJFEL-IUCAKERBSA-N 351.208 5.289 0 1 FKAF FC(F)(F)Sc1ccc(/C=C/c2nc3cc4cn[nH]c4cc3[nH]2)cc1 587124178 IYIZPUMKQQTHMS-ZZXKWVIFSA-N 360.364 5.222 0 1 FKAF Cc1cc(-c2nc3c(C)c(C)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145466 XJTFPQRAGMFGNI-UHFFFAOYSA-N 374.415 5.659 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587161492 OMHNGNCWTIFPPT-RYUDHWBXSA-N 365.633 5.389 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c1[nH]c1ccccc31)CC2=O 587486635 RZVCDYURWIQIAU-HSZRJFAPSA-N 361.441 5.023 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2ccsc12 587619899 VRJJGMFEDCOQLA-GHTZIAJQSA-N 374.417 5.310 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(OC)cc3)c2c1 587641375 ILEKJMPZQWCVED-LBPRGKRZSA-N 357.400 5.859 0 1 FKAF CC(C)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587818508 IBDCDOYEIYXDSQ-HXPMCKFVSA-N 362.286 5.335 0 1 FKAF CCC[C@@H]1CC(C)=C[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587818964 TWOQRMZOBMAFEW-IQUTYRLHSA-N 366.318 5.474 0 1 FKAF O=C(CCc1ccccc1)c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 587954010 YTTHSBIZTRYBSM-UHFFFAOYSA-N 352.743 5.051 0 1 FKAF FC(F)(F)c1ccc(-c2cncnc2-c2cccs2)c(C(F)(F)F)c1 653899215 KJMGGVUYYMAYIJ-UHFFFAOYSA-N 374.309 5.910 0 1 FKAF C[C@@]1(c2cccc(N3CCCC3)c2)NCCc2cc(-c3ccccc3)ccc21 962668939 OFRYWZHXMYVCSO-SANMLTNESA-N 368.524 5.363 0 1 FKAF Cc1ccc([C@@]2(C(C)(C)C)c3c(F)cccc3C[C@@H]3CCCN32)cc1C 963116976 YJYJKKHSLCUFQG-RDPSFJRHSA-N 351.509 5.753 0 1 FKAF O=Cc1cc2ccccc2c([C@@H]2NCCc3cc(Cl)ccc32)c1Cl 963390585 KWPQWKXVNWPWCD-HXUWFJFHSA-N 356.252 5.194 0 1 FKAF C/C(=C\c1ccc(-c2ccccc2)cc1)CN(C)Cc1cccc2cc[nH]c12 1772613086 LCILGOGQEWACOV-LVZFUZTISA-N 366.508 6.370 0 1 FKAF CC(=O)c1c(/C=C/c2ccc(F)cc2)nc2ccccc2c1-c1ccccc1 1857593990 XYIFHZBVDRAYBR-DTQAZKPQSA-N 367.423 6.414 0 1 FKAF Cn1ccc2cc(-c3cn4c(-c5cccc(Cl)c5)cnc4cn3)ccc21 1857611284 IMRYHFVEIXVMHU-UHFFFAOYSA-N 358.832 5.208 0 1 FKAF CCc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccc(O)cc1 3815443 NJIKIYNUHJDGLM-UHFFFAOYSA-N 356.425 5.180 0 1 FKAF CCCCCc1cc2c(c3c1CCCO3)[C@H]1CC(=O)CC[C@H]1C(C)(C)O2 26974733 NNVGQPKFTFCOLW-RBUKOAKNSA-N 356.506 5.368 0 1 FKAF Cc1c(C)c(C)c2cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)ccc2c1C 27658085 PRFRWUZYMAIYEJ-UHFFFAOYSA-N 369.464 6.434 0 1 FKAF COc1cc(Sc2c[nH]c3ccc(OC(C)C)cc23)cc(OC)c1OC 28651338 ICSXXYDARPAJFV-UHFFFAOYSA-N 373.474 5.132 0 1 FKAF FC(F)(F)c1cccc([C@@H]2CN3CCC[C@@H]3c3cccc(Cl)c32)c1 29228555 FENBPRVYMAENSG-DOTOQJQBSA-N 351.799 5.641 0 1 FKAF Cc1cccnc1-c1ccc2c(O)n(-c3ccc(C(F)(F)F)cc3)nc2c1 38156648 JLLUFBVLUGWYBS-UHFFFAOYSA-N 369.346 5.120 0 1 FKAF Cc1cccc(-c2cccc(C(=O)N3CCc4c([nH]c5ccccc45)C3)c2)c1 40392606 ULPFXBHCUUSHMD-UHFFFAOYSA-N 366.464 5.342 0 1 FKAF Cc1ccccc1C1CCN(C[C@@H]2CCc3c(C)cccc3[C@@H](O)C2)CC1 40899802 SRLHPXQPUSGNLH-NLFFAJNJSA-N 363.545 5.169 0 1 FKAF O=C1c2ccccc2CC[C@H]1CCN1CC=C(c2c[nH]c3ccccc23)CC1 45189105 DJIOHAKTOGKYTN-FQEVSTJZSA-N 370.496 5.092 0 1 FKAF Cc1nc(-c2cnc(NC3CCCCC3)nc2-c2ccccc2F)oc1C 82175139 MBQCWKDVUOTDAP-UHFFFAOYSA-N 366.440 5.299 0 1 FKAF Cn1c2ccccc2c2cc([C@@H]3CC(c4ccc(Cl)cc4)=NN3)ccc21 84689989 CERYVXDHVNZKJC-FQEVSTJZSA-N 359.860 5.424 0 1 FKAF FC(F)(F)c1cccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)c1 100065463 XCIMCYYAYVQPIS-UHFFFAOYSA-N 353.347 5.117 0 1 FKAF Cn1c(-c2cnc(NC(=O)c3ccccc3Cl)s2)cc2ccccc21 142576777 AKZPSPKIPWUYBC-UHFFFAOYSA-N 367.861 5.208 0 1 FKAF CC[C@]1(C)C[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586888888 JYHPMXJCBYZXHA-WPPNPWJKSA-N 363.177 5.128 0 1 FKAF CCCC(Br)(CCC)c1nc2ccc(C(F)(F)F)cc2[nH]1 586971767 XQYCCRSPWYQSHK-UHFFFAOYSA-N 363.221 5.772 0 1 FKAF C[C@@H]1c2nc3ccc(O)c4c3c(c2[C@@H]1c1ccccc1)-c1ccccc1C4=O 586991580 PHFRKIDQIGPUON-DJJJIMSYSA-N 363.416 5.401 0 1 FKAF Fc1cc(Br)cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587025710 NDQIFOZVLDCSGR-UHFFFAOYSA-N 373.250 5.860 0 1 FKAF Cc1nn(-c2cccc(-c3nc4ccc(Cl)c(C)c4[nH]3)c2)c(C)c1Cl 587064376 ALSIUDGZAVGMLH-UHFFFAOYSA-N 371.271 5.648 0 1 FKAF Cc1c(Cl)ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587074509 WLRCKYPRILYBHF-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF CCc1c(C2CCCCC2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099934 YFZAJDYAJTUIFY-UHFFFAOYSA-N 355.481 6.365 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H]1CCCC[C@H]1CC4)-c1ccccc1C2=O 587100317 GGXBJWKNVHEJBN-HOTGVXAUSA-N 353.465 5.975 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@H]1CCCC[C@H]1C4)-c1ccccc1C2=O 587101364 SMHSXGMICMFHRF-JKSUJKDBSA-N 353.465 5.660 0 1 FKAF FC(F)(F)Sc1ccc(/C=C\c2nc3ccc4ncccc4c3[nH]2)cc1 587125240 OWHNUSNKPWAYQP-YHYXMXQVSA-N 371.387 5.893 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Br)cc(F)c3[nH]2)c1F 587152410 MRYJDJMTLOJQTM-VHSXEESVSA-N 367.168 5.014 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(C)cc(F)c4[nH]3)c2)c1 587160427 RHVLVIOLUQTKBH-UHFFFAOYSA-N 350.368 5.492 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(Cl)ccc3n1C)CC2=O 587462588 PJAGKEGTSLWORR-HXUWFJFHSA-N 369.848 5.196 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCC(C)C)c1)CC2=O 587483391 QHTFCNXJMPBKOF-QFIPXVFZSA-N 368.473 5.476 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cncc(-c3ccc(C)cc3)c1)CC2=O 587489720 NKSRFQOJTWDTCG-HSZRJFAPSA-N 373.452 5.422 0 1 FKAF C[C@]1(c2c(Cl)cccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587509748 WYJIDOKQPPTZON-HXUWFJFHSA-N 361.268 5.753 0 1 FKAF CCC[C@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587531028 ILPNXALCZIDURO-HXUWFJFHSA-N 360.906 5.941 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc([C@H](C)CC)cc12 587642986 XZVVSACVRINXRS-CYBMUJFWSA-N 355.865 6.179 0 1 FKAF CCCOc1cccc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587778245 ISGMDOXJFJWJNJ-UHFFFAOYSA-N 374.509 6.094 0 1 FKAF Fc1cc(F)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 587784578 RRKFSEOXHAXVKB-FLIBITNWSA-N 362.379 5.591 0 1 FKAF CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@]1(C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587820583 ARKQMXRHIKPENP-GJIOXVOLSA-N 366.318 5.020 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2c2ccccc2)N1 587822441 KKDGCZGOMOKSFU-OWDMVUQNSA-N 374.297 5.285 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2cc(C)cc(C)c2s1 587873302 YFSITXKDSJISAV-UHFFFAOYSA-N 367.449 5.304 0 1 FKAF CCCC/C=C\c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587965587 NOFZZYFBFCSKPZ-WAYWQWQTSA-N 363.177 5.427 0 1 FKAF COc1ccc(N[C@H]2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)cc1 1857604458 HUPCIGLKTFESCY-UTHIKGHZSA-N 371.609 7.155 0 1 FKAF CC(=O)N[C@@H](c1ccccc1)c1nc(-c2cccc(C(C)C)c2)cs1 61905979 QGNSZZUSUXLSGT-FQEVSTJZSA-N 350.487 5.159 0 3 FKAF CC(=O)c1cccc(-c2ccc3c(c2)[C@@](C)(Cc2ccccc2F)C(=O)N3)c1 61926468 YNTLJIMWIJPPND-XMMPIXPASA-N 373.427 5.148 0 3 FKAF O=c1c(-c2cccc(Oc3ccsc3)c2)c(O)[nH]c2cc(Cl)ccc12 837962 ASDUOZQLLPOESZ-UHFFFAOYSA-N 369.829 5.408 0 1 FKAF C[C@@H](NC(=S)Nc1nc2ccccc2s1)c1cccc2ccccc12 13477190 JUVYDTIZKRZTLP-CYBMUJFWSA-N 363.511 5.497 0 1 FKAF C[C@H](c1ccco1)N(C(=O)C12C[C@H]3C[C@H](CC(C)(C3)C1)C2)c1ccccn1 17364068 ZHZNDVBTGVLLRG-UIHBLGAPSA-N 364.489 5.375 0 1 FKAF CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Oc2ccc(F)cc2)cc13 28230117 DQDBAEWEXMEWSZ-MDNUFGMLSA-N 351.465 5.306 0 1 FKAF CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(Cl)cc3)[nH]2)CC1 28469611 YGLYXGVMOWHGNA-UHFFFAOYSA-N 351.881 5.206 0 1 FKAF CCCC[C@H](C)OCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 28712034 AESBOZOWPNQZDG-WEWRAIFCSA-N 364.574 5.020 0 1 FKAF COc1ccc([C@H]2Sc3cc(Cl)ccc3-n3cccc3C2=O)cc1 29223511 GESKWBZWVZKXLH-LJQANCHMSA-N 355.846 5.169 0 1 FKAF Cc1cc(OCC(=O)COc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl 33827067 IQYDMCHKYGNIIP-UHFFFAOYSA-N 367.272 5.254 0 1 FKAF CCCC[C@]1(C2CC2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 36488257 XXZFRIHMYZXKQE-INIZCTEOSA-N 360.807 5.545 0 1 FKAF CCCC(=O)Nc1nc(/C=C/c2ccccc2)cc(/C=C/c2ccccc2)n1 66113396 NTZRIFJJETUTDX-YXLFCKQPSA-N 369.468 5.556 0 1 FKAF COc1ccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1F 72109054 PXRYUCCEFJZXKL-JOCHJYFZSA-N 357.469 5.163 0 1 FKAF Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3ccccc3C)n2)cc1 82177650 PYIAHRPZHKNDDY-UHFFFAOYSA-N 370.456 5.336 0 1 FKAF Cc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 84653094 BUJXVJJYRYUALC-UHFFFAOYSA-N 360.910 5.073 0 1 FKAF CN1CC[C@]2(c3cccc(O)c3)Cc3[nH]c4c(ccc5ccccc54)c3[C@@H]1C2 100725718 JJKQYSOUHFAGGN-DHLKQENFSA-N 368.480 5.288 0 1 FKAF C[C@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@]12C 255218967 HYDPQJPDIJUOEO-MCWPWSGPSA-N 372.593 5.789 0 1 FKAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255259294 PISAKMAGVQHRRZ-PHWUEICESA-N 370.621 6.775 0 1 FKAF CCCC/C=C/c1cc2ccc(Cl)cc2n1C(=O)C[C@H](C)CC(=O)O 299838977 PDJASCSKSNEQFL-UZYOAWRESA-N 361.869 5.639 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cnc5ccccc5c4[nH]3)c(C)s2)cc1 587013493 YEUPQNJDHJSPIS-UHFFFAOYSA-N 356.454 5.518 0 1 FKAF FC(F)(F)Oc1cccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 587073037 DHCVORLUAQZHAB-UHFFFAOYSA-N 366.770 5.389 0 1 FKAF Clc1ccc(CC/C(=C/c2nc3cncnc3[nH]2)c2ccccc2)cc1 587073222 HFLGWZLVHZRXJO-ATVHPVEESA-N 360.848 5.180 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(Cl)cnc2[nH]1 587074001 OWHVFZJAPKYEQQ-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(C(C)(C)C)o4)nc13)-c1ccccc1C2=O 587100765 IBTQQLQKQXCILW-UHFFFAOYSA-N 367.448 6.312 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1[nH]c2ccccc2c1C3 587105719 GDPKEFOJNZAKKG-UHFFFAOYSA-N 358.400 5.499 0 1 FKAF Cc1cnc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c2c1 587113769 ZVUZFQXQYVPBAU-UHFFFAOYSA-N 369.346 5.744 0 1 FKAF CC(C)[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353863 PGFVWNLBMBBHQQ-WPYKKVEZSA-N 368.448 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(Cl)c(Cl)c1)O2 587373500 DPEXHJFRBAHUAK-AWEZNQCLSA-N 356.636 5.244 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](c3ccccc3)C1)CC2=O 587481465 MMANTGFLCLMNBC-SBUREZEXSA-N 350.458 5.407 0 1 FKAF O=C1C[C@]2(CCC[C@H]2c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587504082 IFBPSWXJELPHPA-CVDCTZTESA-N 366.888 5.891 0 1 FKAF C[C@@]1(CCC2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604152 UPYYHPMQMYZEBM-KNQAVFIVSA-N 352.430 5.083 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(CC(=O)c3ccc(C(F)(F)F)cc3)c(C)c2c1 587640044 BHOJWLQRNAPWJM-ZDUSSCGKSA-N 373.418 6.434 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccccc2Cl)N1 587696098 KWFAORTYXPWZRG-ZUZCIYMTSA-N 368.677 5.060 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C)c2ccc(F)cc2)N1 587737476 XSOYDPFGOSIMTE-PJYBLOJUSA-N 366.249 5.106 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccsc2)N1 587852803 JDZQFNUYIHMBEN-PIGZYNQJSA-N 368.315 5.032 0 1 FKAF Cc1ccc(-c2csc(-c3ccc(Oc4ccccc4)cc3)n2)cc1C 587920840 OQBCJFXFMKSHRE-UHFFFAOYSA-N 357.478 6.886 0 1 FKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc3c(c2[nH]1)CCCC3 587928245 ZNJZGXQJKQOXGP-INIZCTEOSA-N 350.462 5.001 0 1 FKAF CCc1ccc(C(=O)CCc2nc3cc(C)c(Br)cc3[nH]2)cc1 587954954 FTMAAZGDONJALN-UHFFFAOYSA-N 371.278 5.012 0 1 FKAF CC/C(=C/c1nc2cc(Br)cc(C)c2[nH]1)c1ccc(C)cc1 587969058 YIUALQCENOJBBK-UVTDQMKNSA-N 355.279 5.893 0 1 FKAF Cc1c(F)ccc2c1[C@@H](c1ccc3ccn(Cc4ccccc4)c3c1)NCC2 962092289 MOYRQZKGSYEKKP-RUZDIDTESA-N 370.471 5.372 0 1 FKAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@H]2c1ccc(F)c2ccoc12 962701372 GLIICYGLRSEJEK-RBZFPXEDSA-N 371.452 5.164 0 1 FKAF COc1cc(Cl)ccc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772640158 ZGJMJCMWKBARHI-INIZCTEOSA-N 373.861 5.079 0 1 FKAF C=C(c1cc(OC)c(OC)c(OC)c1)c1cccc(-c2ccc(C)cc2)n1 1857615396 BDSYSLSRMQHPJB-UHFFFAOYSA-N 361.441 5.144 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C)CCC[C@](C)(O)[C@H]2[C@@H]1OC(=O)C=Cc1ccccc1 2356451257 YPCMOCVARABHRT-FGQYTZQDSA-N 370.533 5.235 0 1 FKAF C[C@@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccc(Cl)cc2)=NO1 12477228 YMNNHBULWAIQTK-SFHVURJKSA-N 374.227 5.083 0 3 FKAF S=C(N/N=C/c1ccc(Cl)c(Cl)c1)Nc1cccc2ccccc12 1694161 OLPVZIYWLXNKKO-SRZZPIQSSA-N 374.296 5.467 0 1 FKAF CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(Cl)cc3Cl)nccc21 13479637 POMWTQKAGJDRBD-GFCCVEGCSA-N 362.304 6.329 0 1 FKAF CCCCCCC(=O)c1ccc(O)c(-c2nc3cc(Cl)ccc3[nH]2)c1 26173662 RULINVRNLCEERD-UHFFFAOYSA-N 356.853 5.742 0 1 FKAF CC(C)(CCCOc1ccc(CCCCc2ccccc2)cc1)C(=O)O 28225074 WTUNCRDFXUPJSA-UHFFFAOYSA-N 354.490 5.522 0 1 FKAF CCc1c(C)[nH]c(=O)c(Sc2ccccc2)c1Oc1cc(C)cc(C)c1 28818682 GJOUELWBPISRJY-UHFFFAOYSA-N 365.498 5.806 0 1 FKAF Cc1[nH]c(=S)n(Nc2cccc(Br)c2)c1-c1ccccc1 33493420 YIXWYBDMWNGGKZ-UHFFFAOYSA-N 360.280 5.159 0 1 FKAF CCCCC[C@H](O)/C=C/[C@@H]1C[C@H]2C[C@H](S2)[C@@H]1C/C=C\CCCC(=O)O 33954697 OVGWMUWIRHGGJP-FATVCXQPSA-N 366.567 5.195 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC[C@H](O)CO 35858749 DOQOVRQWQQJATN-IGQSPZABSA-N 364.570 5.502 0 1 FKAF CN(C)Cc1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1 40936376 UNSWDCIYZPOJLJ-UHFFFAOYSA-N 374.200 5.322 0 1 FKAF O=C(O)c1ccccc1Nc1ccc2nc(Nc3ccccc3)sc2c1 58574822 JQQRIXHGJWDRTJ-UHFFFAOYSA-N 361.426 5.482 0 1 FKAF Cc1cccc(NC(=O)c2c[nH]c3cccc(SCc4ccncc4)c23)c1 66077817 KTTAUCJZOLLVIT-UHFFFAOYSA-N 373.481 5.416 0 1 FKAF CCCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2cccc(C)c2)cs1 82195292 UZWINIVKNNIUIZ-SFHVURJKSA-N 373.566 5.252 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3Cl)c2)c1 95556920 JGRMTJSYPURQSF-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF CCCC[C@@]12Cc3c(ccc4ccccc34)[C@H](O1)c1c(cc(C)oc1=O)O2 102901222 RQNQTJSVAIXCOL-GMAHTHKFSA-N 362.425 5.042 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@@]21C 118925249 KGXLWYQCBAUILI-LZQMWTLUSA-N 372.549 5.491 0 1 FKAF biogenic COc1cc(/C=C/c2ccc(CO)cc2)ccc1/C=C/c1ccc(CO)cc1 169311144 WUQCHZDMOJZGNW-NAFHFRDLSA-N 372.464 5.021 0 1 FKAF C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]21CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1 169368000 QJVGPUYCCNEQKK-IVTYTIQISA-N 369.549 5.534 0 1 FKAF CCCCCc1cc(OC)c([C@H]2[C@H](O)[C@]3(C)CC[C@H]2C3(C)C)c(OC)c1 204480843 QLWFTMSARKCILR-QYTDDSRESA-N 360.538 5.337 0 1 FKAF COc1cc(/C=C/c2nc3cc(C)cc(C)c3[nH]2)ccc1Br 586975502 DAEWGSOYNMQXCC-FNORWQNLSA-N 357.251 5.121 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cccc(Cl)c2[nH]1 587013869 CWWCKVOPOHKSJN-UHFFFAOYSA-N 360.269 5.969 0 1 FKAF CCc1ccc(-c2nc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cs2)cc1 587015421 CRWHFALODFVMLE-UHFFFAOYSA-N 373.403 5.935 0 1 FKAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(C(F)(F)F)cc2[nH]1 587026385 CPXCATVXZDZVIR-UHFFFAOYSA-N 363.364 5.197 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587061668 HHYYKNBZYNIDJN-ZDUSSCGKSA-N 372.749 5.904 0 1 FKAF CCCCC[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587100388 IRMFEBZNOSYITK-QGZVFWFLSA-N 369.508 6.440 0 1 FKAF COc1cccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587123669 FWDOJPYBXGRSTG-JXMROGBWSA-N 350.365 5.354 0 1 FKAF Cc1c(Br)ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587150395 DBQKGOPPYPGQJE-WDEREUQCSA-N 363.205 5.183 0 1 FKAF Cc1ccc(COc2ccc(-c3cc4c5c(cccc5n3)CC4)c(O)c2)cc1 587213631 JREBLMMBQKOULN-UHFFFAOYSA-N 367.448 5.593 0 1 FKAF CC[C@H](C)Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587522287 KPVTVPPKZSOMDM-NYHFZMIOSA-N 350.458 5.449 0 1 FKAF O=C1C[C@H](c2nc(-c3ccccc3)cs2)Oc2c1ccc1c2CCCC1 587535118 IJERLIDVVVNDON-HXUWFJFHSA-N 361.466 5.395 0 1 FKAF Cc1c(-c2c(C)n(CC(=O)O)c3ccccc23)[nH]c2c(C)cc(Cl)cc12 587627444 WOMWOCCBDOEXIL-UHFFFAOYSA-N 366.848 5.453 0 1 FKAF Fc1ccc2c(-c3cnccn3)c(-c3ccc(C(F)(F)F)cc3)[nH]c2c1 587633390 APRHVZOQPMGAMP-UHFFFAOYSA-N 357.310 5.450 0 1 FKAF O=C(O)c1cccc2c(C(=O)C34CC5CC(CC(C5)C3)C4)c(C(F)F)[nH]c12 587637608 LSRINXCXGMXOBM-UHFFFAOYSA-N 373.399 5.203 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(=O)C(F)(F)F)c2c1 587641588 MXOYSSOGTJQHJM-NSHDSACASA-N 363.354 6.233 0 1 FKAF Cc1ccc(/C=C\[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587816426 YAQPOTUUWXDHOY-ZHYYLITRSA-N 374.297 5.359 0 1 FKAF CC[C@H](c1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821575 VWOPAACPGJEQOI-HGQUKEQDSA-N 362.286 5.357 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCCCCCC2)N1 587823168 OQFPXLPXADHGFU-XIKOKIGWSA-N 354.307 5.524 0 1 FKAF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587841782 CKUHFVOFGPYZHY-XLFHBGCDSA-N 368.315 5.064 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1Cc1ccc(Cl)cc1Cl 587869747 RAKCBNAMVILRCT-UHFFFAOYSA-N 365.235 5.443 0 1 FKAF CC[C@@H](OC(=O)c1ccccc1)c1nc(-c2ccc(F)c(F)c2)cs1 587921911 BCOXFFKVMGUIDG-QGZVFWFLSA-N 359.397 5.396 0 1 FKAF Clc1cc(Cl)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 587951492 WJQPIRFFDQUXBR-UHFFFAOYSA-N 351.277 5.355 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3ccc(OC(C)C)cc3[nH]2)cc1 587958901 GVTRIFFKWZQRJG-UHFFFAOYSA-N 356.469 5.916 0 1 FKAF Cc1ncc(CCCO[C@@H](c2ccccc2)c2nc3ccccc3s2)[nH]1 1772655718 YMFAKAVBDZQFKA-FQEVSTJZSA-N 363.486 5.067 0 1 FKAF C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)c3nc4ccccc4cc3C[C@H]12 2356548769 FBJRIAWDMVBAAE-QWBHILMTSA-N 373.540 5.572 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](C)C(=O)NCCC 13761114 SVGIWYPVOLFGAQ-HRJYBQMVSA-N 359.598 6.904 0 1 FKAF CC(=O)c1c(O)cc(OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc1O 14774849 JHVPZGYOSAURDM-VZRGJMDUSA-N 372.505 6.098 0 1 FKAF CCCCCCOc1ccc(-c2c(C)[nH]c(=O)n2C2CCCCC2)cc1 29128631 LJFHQFHYLZCVCU-UHFFFAOYSA-N 356.510 5.616 0 1 FKAF N=c1sc(-c2cccc(F)c2)nn1-c1c(Cl)cc(Cl)cc1Cl 29411702 DIQXFDWDTTXPMT-UHFFFAOYSA-N 374.655 5.180 0 1 FKAF CC(C)(C)[C@]1(O)CCN2C[C@@H](c3ccc(Cl)cc3Cl)CC[C@@H]2C1 29465876 AXHJIZWVVZQWEU-OHNRDTAOSA-N 356.337 5.112 0 1 FKAF CCCCCCc1cc(Cl)ccc1O[C@@H](Cc1ccccc1)C(=O)O 45497539 DEWUYUUOAXBVEE-FQEVSTJZSA-N 360.881 5.538 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]21C 66112684 RPKLZQLYODPWTM-HMNNRMLKSA-N 360.582 6.536 0 1 FKAF COc1ccc2c(c1)c1c(ccc[n+]1C)n2CCCCCC1CCCCC1 71294377 ANYUNQDCHHRPPF-UHFFFAOYSA-N 365.541 5.768 0 1 FKAF NCCSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1 82156781 XUOVCMGJLMPESU-UHFFFAOYSA-N 369.533 5.824 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2cccc(Cl)c2)nn1 103293849 LLJMFMPAXPQUDV-UHFFFAOYSA-N 363.770 5.868 0 1 FKAF O=C(NCC1CC1)c1ccc(Nc2ccc(Cl)cc2Cl)cc1F 149641146 YAYVWQIXPYXKAN-UHFFFAOYSA-N 353.224 5.016 0 1 FKAF Cc1ccc(-c2cc([C@H](O)C[C@@H]3CCCCN3)c3cc(C)cc(C)c3n2)cc1 169334605 HQCJBJGJAWODSX-GBXCKJPGSA-N 374.528 5.393 0 1 FKAF CCCCOc1cc2nc([C@H]3C[C@@]3(C)CC)[nH]c2cc1Br 586890884 PMXGBMMOBZPVAS-PIGZYNQJSA-N 351.288 5.408 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc4ccccc4o3)nc3ccc(O)c1c23 586991959 RJPGIAWYGZCVPL-UHFFFAOYSA-N 363.372 5.565 0 1 FKAF Clc1ccccc1CCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587060054 ZOIMUKDEEWHFCQ-UHFFFAOYSA-N 362.860 5.581 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Cl)cc(Cl)c2[nH]1 587066422 NGNICXJQVHKWKX-SECBINFHSA-N 355.652 5.972 0 1 FKAF Cc1cc(F)c2[nH]c(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc2c1 587067997 VPEDERDWHWQMFT-UHFFFAOYSA-N 366.823 5.490 0 1 FKAF Cc1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1Br 587079283 CAISBQZHOBJUMA-UHFFFAOYSA-N 374.669 5.290 0 1 FKAF Cc1c(-c2c(F)cccc2F)nc2cccc3c2c1-c1ccccc1C3=O 587103207 HTVOYTILOOLFKO-UHFFFAOYSA-N 357.359 5.700 0 1 FKAF CCN(C)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587104387 QWNSEJGCABRUSW-UHFFFAOYSA-N 364.448 5.569 0 1 FKAF Fc1cc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)ccc1-c1ccccc1 587145956 WRMSNBNEPNOJON-UHFFFAOYSA-N 370.349 5.979 0 1 FKAF CSc1ccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2c1 587241821 ISUTVHGXVBAILS-UHFFFAOYSA-N 353.491 5.327 0 1 FKAF COc1cccc(-c2cc(Cc3ccsc3)nc3c2oc2ccccc23)c1 587366000 JOQCAOLXMCBGIB-UHFFFAOYSA-N 371.461 6.309 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cccc1SC(C)C)O2 587410430 STUMMZBFEUPAIK-MRXNPFEDSA-N 361.894 5.438 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccccc3)cc1)CC2=O 587490048 RDOITXOLAHTJRK-RUZDIDTESA-N 372.464 5.892 0 1 FKAF O=C1C[C@@](c2ccncc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587504215 GRZIXFOAIQZMKO-DEOSSOPVSA-N 373.427 5.009 0 1 FKAF O=C1C[C@@]2(CCCOc3cc4c(cc32)CCC4)Oc2c1ccc1c2CCCC1 587530094 AZBKDSJQBVVDSO-RUZDIDTESA-N 374.480 5.087 0 1 FKAF CCCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601744 GVXBRKKFMWQADE-XUZZJYLKSA-N 374.436 5.222 0 1 FKAF C[C@]1(c2cccc(C3CC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602068 IOZTVTALIMJASX-XUZZJYLKSA-N 372.420 5.147 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cccc2Cl)N1 587722198 RYTIAWYUNGJULL-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF C[C@@]1(c2ncc(Cl)cc2Cl)NCCc2cc(-c3ccccc3)ccc21 962666251 LNMPIHGEADTSEG-OAQYLSRUSA-N 369.295 5.465 0 1 FKAF Clc1ccc2ccc(-c3nc4cc(Br)ccc4[nH]3)nc2c1 1772597344 FLPVXQXKUDXOQI-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF Nc1ccccc1Oc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1 1772632392 LJPQLBXBQABJPS-UHFFFAOYSA-N 354.413 5.262 0 1 FKAF CC[C@H](C)C(=O)c1c(O)cc(O)cc1OCC[C@@H](C)CCCC(C)C 1857630159 JZHRHSJPSFXPFK-HOTGVXAUSA-N 350.499 5.558 0 1 FKAF COc1cc(=O)oc(C=CC=C[C@@H]2[C@H](C)[C@]3(C)C=C(C)C=C(C)[C@@H]23)c1C 2356718602 AFLXFQMVMOJBCC-WKZKVMAPSA-N 352.474 5.321 0 1 FKAF CC(C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356756895 ZQDSXDIYKPVJHY-ZYINQVSOSA-N 374.653 7.079 0 1 FKAF CC=C(C)CCCCCCCC=CC=CC=CCc1cc(O)cc(O)c1 2356832576 IBTUEOUYYLIJLK-UHFFFAOYSA-N 354.534 7.006 0 1 FKAF COc1ccc2cc([C@H](C)[C@@H](O)c3cc(F)c(F)c(F)c3F)ccc2c1 1635374 DHLOUZZUEJCHDZ-WVDJIFEKSA-N 364.338 5.242 0 1 FKAF O=C(c1ccc(-c2cccs2)cc1)N1Cc2cccn2Cc2ccccc21 3825806 WDRUOMSFIMDSAM-UHFFFAOYSA-N 370.477 5.425 0 1 FKAF CC[C@H](c1cc(=O)[nH]c(SC2CCCCC2)n1)c1c(F)cccc1F 13474587 BDWDLPAPUOEPNI-CYBMUJFWSA-N 364.461 5.015 0 1 FKAF CN(C)CC[C@@H](OC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1 13684968 RKDJEJLCQXYZOG-OAQYLSRUSA-N 367.876 5.343 0 1 FKAF CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](OS(=O)(=O)O)C(C)C 26149438 JCMCXNPYUSHIHF-MJQMVNBJSA-N 358.544 5.019 0 1 FKAF Fc1cccc(-c2nc(SC(F)(F)C(F)F)[nH]c2-c2ccccc2)c1 28220235 FSRFOSQZDWJPCK-UHFFFAOYSA-N 370.346 5.833 0 1 FKAF CN(C)CCCCCNc1cc(-c2ccc(F)cc2)nc2ccccc12 28642209 YCWPSQNBVDABCW-UHFFFAOYSA-N 351.469 5.185 0 1 FKAF c1ccc(Cn2cnc3c(-c4ccccc4)cc(-c4ccccc4)nc32)cc1 35259181 ZIPLSEGHPLGAGI-UHFFFAOYSA-N 361.448 5.814 0 1 FKAF Cc1ccc2[nH]c3c(c2c1)CCN(Cc1ccccc1)[C@H]3c1cccc(O)c1 49802698 OQJGJXUXOAVASJ-VWLOTQADSA-N 368.480 5.330 0 1 FKAF COc1ccc2c(c1)CC[C@@H](Cc1ccccc1CCc1ccccc1)C2=O 64426597 UAIILEAJIDODOE-QHCPKHFHSA-N 370.492 5.468 0 1 FKAF O=C1C[C@@H](c2cccs2)Sc2ccccc2N1CC1CCCCC1 95587248 XKCLBYTZJUAOOF-IBGZPJMESA-N 357.544 5.899 0 1 FKAF CCN(Cc1cnc[nH]1)c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 96177513 ZDKHWTCSYSXQQW-UHFFFAOYSA-N 362.260 5.535 0 1 FKAF O[C@@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12 101185319 CNNRPXDUHKLPGW-HATOLVCRSA-N 367.876 5.101 0 1 FKAF C[C@H](CCCc1ccc(F)cc1)c1cc(O)c2c3c(c(=O)oc2c1)CCC3 147656352 VQKMAQSUYKTDSL-CQSZACIVSA-N 366.432 5.253 0 1 FKAF CC(C)(C)NC(=O)NCCCCCCCCCCCCCCCC(=O)O 222155530 NRVMLTKEYCPEPH-UHFFFAOYSA-N 370.578 5.630 0 1 FKAF CCc1ccc(-c2nc(-c3nc4cc(OC)c(F)cc4[nH]3)cs2)cc1 587016293 UTGDNXOQMMXKQT-UHFFFAOYSA-N 353.422 5.064 0 1 FKAF c1ccc(Oc2ccc3nc(CSCc4ccsc4)[nH]c3c2)cc1 587025386 JPVPIBQTCBTERH-UHFFFAOYSA-N 352.484 5.850 0 1 FKAF COc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1Cl 587049988 LIJMBKKFECVSEY-UHFFFAOYSA-N 358.228 5.336 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](C(F)(F)F)CCC3 587103948 ORYYCTXJMBSWAH-OAHLLOKOSA-N 353.343 5.428 0 1 FKAF CC1(C)Cc2c(nc3cccc4c3c2CC4)-c2cc(Br)ccc21 587207512 GCVAPYPUXGEZGI-UHFFFAOYSA-N 364.286 5.597 0 1 FKAF O=C(O)c1cc(F)cc(-c2ccccc2-c2cc3c4c(cccc4n2)CC3)c1 587212667 KMNHKRVDOOTLMZ-UHFFFAOYSA-N 369.395 5.505 0 1 FKAF Cc1ccc(-c2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)co2)cc1 587514072 GDSZEKKLDNMZGX-NRFANRHFSA-N 359.425 5.235 0 1 FKAF Cc1ccc(-n2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c(C)c1 587515114 JMAVVBLZZUOFSG-DEOSSOPVSA-N 371.480 5.679 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]1CCCC[C@H]12 587601679 FIMPKSFVDKCJSB-OFNACDPKSA-N 364.441 5.083 0 1 FKAF CCc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccc(Cl)cc1Cl 587650102 WWFSUHOKAZAIQL-UHFFFAOYSA-N 368.285 5.108 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC2CCCCC2)N1 587813548 OTEYCMRUHHIRHH-ORAYPTAESA-N 368.334 5.698 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587951473 LVXOTXPRPPRYMD-JTQLQIEISA-N 358.228 5.558 0 1 FKAF COc1ccccc1/C=C/c1nc(Nc2ccc(O)cc2)c2ccccc2n1 1857571577 VSOOVSWDKBAXQD-XNTDXEJSSA-N 369.424 5.258 0 1 FKAF CC(C)Cc1ccc([C@H](C)c2ccc3c(c2)Nc2ccccc2S3)cc1 2382235423 WIGLIPDEFQNSRW-KRWDZBQOSA-N 359.538 7.245 0 1 FKAF CCCCc1c(-c2ccc(OC)cc2)ncn1CCc1ccccc1OC 95565645 WDTBGKQARSCMSP-UHFFFAOYSA-N 364.489 5.153 0 3 FKAF C/C(=C\c1ccc(C(=O)O)o1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 1539546 CCORXZBJYDJXFA-SDNWHVSQSA-N 352.474 6.196 0 1 FKAF Oc1ccc(-c2nn(Cc3ccccc3)c3c(C(F)(F)F)cccc23)cc1 13586334 DYDWLVOJCJFDBV-UHFFFAOYSA-N 368.358 5.476 0 1 FKAF O=C(O)CCCCCCc1ccsc1CCCc1ccc(Cl)cc1 13726625 IARBAADDPALBIU-UHFFFAOYSA-N 364.938 6.154 0 1 FKAF CCOC(=O)[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 13778599 TXGYVFJZVOKOBB-HXUWFJFHSA-N 367.489 5.219 0 1 FKAF C[C@@H](COc1cccc2ccccc12)CN1CCC(Cc2ccccc2)CC1 28770680 BHEMQUJCKGPXPY-OAQYLSRUSA-N 373.540 5.809 0 1 FKAF FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1 28817554 ZTLANCRSZSVRBT-UHFFFAOYSA-N 359.178 5.496 0 1 FKAF c1nc(NCC2CCCCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 66166827 SYQUKRXGZIVAPM-UHFFFAOYSA-N 361.445 5.018 0 1 FKAF C=CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)OC1 73224470 GHECWPQDONYTMP-SFHVURJKSA-N 360.240 5.186 0 1 FKAF CN(C)[C@H]1CC=C(c2c[nH]c3ccc(CC(=N)c4cccs4)cc23)CC1 96177593 XTVSKCSLCHZXSY-KRWDZBQOSA-N 363.530 5.337 0 1 FKAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2c2cc(-c4ccccc4)no2)N3C)cc1 100773694 SSEYJTZXHQMBJU-RKONGDRVSA-N 358.485 5.384 0 1 FKAF C[C@@H]1Sc2ccc(Cl)cc2C(O)=C1C(=O)Nc1cccc(Cl)c1 101002062 IZACCOPDTVOHKX-VIFPVBQESA-N 366.269 5.395 0 1 FKAF Cc1cc([C@@H]2[C@@H]3CC[C@@H](C[C@@H]2c2ccc(Br)cc2)S3)on1 101388904 YEUFVHULUPJOQC-HDEZJCGLSA-N 364.308 5.281 0 1 FKAF CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1/C=C/c1ccccc1 103232664 NDQDYVIZPYNOHY-AXDNMFEOSA-N 370.448 5.866 0 1 FKAF Cc1nc(SCC(=O)c2ccc(Cl)cc2)n(Nc2ccccc2)c1C 103244310 GZQWNIHDXRCUFT-UHFFFAOYSA-N 371.893 5.004 0 1 FKAF CCCCN(CC)C1=CC(C)=N[C@H]2[C@H]1C(C)=CN2c1c(C)cc(C)cc1C 299812279 OXBSTIROOYKZJO-LADGPHEKSA-N 365.565 5.758 0 1 FKAF Fc1ccc(-c2cnc(C3(NCc4c[nH]c5ccccc45)CCCC3)[nH]2)cc1 473089125 KLBYPOBQAKMCRH-UHFFFAOYSA-N 374.463 5.256 0 1 FKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 586918377 XSJOMXVAWNKDSS-SBUREZEXSA-N 362.473 5.077 0 1 FKAF Fc1cc2[nH]c([C@@H]3SCCc4sccc43)nc2cc1C(F)(F)F 587036740 LHLNWHVPDNYEBI-CYBMUJFWSA-N 358.385 5.161 0 1 FKAF COc1cccc(-c2ccc(-c3nc4cccc(Cl)c4[nH]3)c(Cl)c2)c1 587051337 BZDKJQPTUHFRNV-UHFFFAOYSA-N 369.251 6.212 0 1 FKAF FC(F)(F)Sc1ccc2nc(CCc3ccccc3Cl)[nH]c2c1 587058774 JMTTWKFPIKLIKQ-UHFFFAOYSA-N 356.800 5.613 0 1 FKAF Clc1ccccc1-c1ccc(Cc2nc3ccc4ncccc4c3[nH]2)cc1 587062153 CSDVROUCMQVANL-UHFFFAOYSA-N 369.855 6.022 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@H]1CCCC[C@@H]41)-c1ccccc1C2=O 587101445 SVBARHQCYBWYFX-HZPDHXFCSA-N 353.465 5.975 0 1 FKAF FC(F)(F)c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120464 KIDIMIYYDWZKSN-UHFFFAOYSA-N 370.256 5.144 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2ccc(F)cc21 587470087 CVNUVGLUTCATRM-DEOSSOPVSA-N 374.411 5.373 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)Sc1ccccc1)CC2=O 587491111 ILRIAETVEHWNJH-LJQANCHMSA-N 356.487 5.249 0 1 FKAF COc1ccc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587502465 DSFUMVQQWAAQGU-QGZVFWFLSA-N 360.812 5.073 0 1 FKAF C[C@]1([C@@H]2C[C@H]2c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587507724 RVYNRUCPRYHKEJ-YCRNBWNJSA-N 366.888 5.746 0 1 FKAF CCOc1ccc(C(C)C)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522007 FQQOLFCWBOOIOQ-QHCPKHFHSA-N 364.485 5.794 0 1 FKAF CC1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCCC1 587604427 WPFNZDHDHRYXGW-AVRDEDQJSA-N 352.430 5.083 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(Cl)cc3C)c2c1 587640764 JEGXPWSKPSJSOT-GFCCVEGCSA-N 354.881 6.204 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]3CCCC[C@@H]32)N1 587816547 ABYWZBHHURUGGD-QPWUGHHJSA-N 366.318 5.308 0 1 FKAF Cc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587818206 GRSKEHHBKFKDFA-DJJJIMSYSA-N 362.286 5.137 0 1 FKAF Cc1ccc([C@H](C)C[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587830307 SHSGYGMBALTRFH-ZETOZRRWSA-N 366.274 5.259 0 1 FKAF CC(C)[C@@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587847335 KMGGRWLGMIGPAF-GTNSWQLSSA-N 368.315 5.084 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c(Cl)cnc(Cl)c1Cl 963221457 AJVCBFCMHRTBEY-APPDUMDISA-N 369.723 5.788 0 1 FKAF COc1ccccc1CCn1cnc(-c2cccc(F)c2)c1CC(C)C 169303921 YKOURACJIRSRHJ-UHFFFAOYSA-N 352.453 5.139 0 3 FKAF CC(C)CCCCCCCCCCCCCCCCCCCC(=O)O 14591135 BQKXBLINRIKSGC-UHFFFAOYSA-N 354.619 8.139 0 1 FKAF biogenic CC[C@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26386645 DAXMFHJYAYLAJM-RKFWHAEISA-N 373.581 5.081 0 1 FKAF O=C(CCCc1cccc(Oc2ccccc2)c1)Nc1cccc(Cl)c1 82158442 BHKAEZGZVWTBLE-UHFFFAOYSA-N 365.860 6.094 0 1 FKAF CCCN1C(=O)CC[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 95576255 WQRRQFUYKLAWGN-UYAOXDASSA-N 362.300 5.851 0 1 FKAF OC1=NC(=S)S/C1=C\C=C\c1ccccc1OCc1ccccc1 96906482 YMYXLZSCDOOXIK-ONKXNFODSA-N 353.468 5.151 0 1 FKAF Cc1c([C@@H](C)c2c(F)cccc2Cl)nc(SC2CCCC2)[nH]c1=O 169352205 QRVYKVAVPKUTGP-JTQLQIEISA-N 366.889 5.057 0 1 FKAF C/C1=C/[C@@H](O)C(C)(C)CCC/C(C)=C/C[C@H]1OC(=O)c1ccc(F)cc1 169692868 MSRWAJRVXIEGII-ZAKWIYLKSA-N 360.469 5.205 0 1 FKAF Cc1cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c(C)n1 205132255 ABSMJWLNVSWMOS-UHFFFAOYSA-N 368.484 5.018 0 1 FKAF Cc1ccc(-c2c([C@@H](OC(C)(C)C)C(=O)O)ccc3sc(C)cc23)cc1 473115895 VGWHCZBSMSKERK-HXUWFJFHSA-N 368.498 6.126 0 1 FKAF CC(=O)CC/C=C\CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990399 DMUXLRMNPWJNOS-IHWYPQMZSA-N 371.436 5.010 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)cccc4[nH]3)c21 587031530 SJVNNARADACBBO-LBPRGKRZSA-N 351.450 5.661 0 1 FKAF Cc1cnc(Cl)c2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc12 587124054 IABOUVQXRRSNPM-DAXSKMNVSA-N 369.799 5.702 0 1 FKAF O=Cc1ccc(/C=C\c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587205792 FOFNKTVXWGODFY-SEYXRHQNSA-N 361.400 5.429 0 1 FKAF Cc1ccc(NC2(c3nc4cccc(Br)c4[nH]3)CCCC2)cc1 587237801 XYBSEBIVAOGPNS-UHFFFAOYSA-N 370.294 5.515 0 1 FKAF Nc1c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc2ccccc12 587254080 LCUXDZYSTIWCNJ-UHFFFAOYSA-N 374.188 5.006 0 1 FKAF CCn1c2ccccc2c2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)ccc21 587389548 IHLRUWYVAVFJCU-HSZRJFAPSA-N 370.452 5.412 0 1 FKAF CC[C@@H](C)c1ccc(OC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524892 NHWXWRDNAQOYKR-IQMFZBJNSA-N 364.485 5.794 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]1CCCC[C@@H]12 587601681 FIMPKSFVDKCJSB-ZCJPYKDOSA-N 364.441 5.083 0 1 FKAF CC(=O)c1c(-c2ccc(Br)cc2)[nH]c2c(C)cc(Cl)cc12 587623562 JMKALINXROIOKF-UHFFFAOYSA-N 362.654 5.762 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1cc(F)ccc1Br 587629712 YQWJRRYZTUEYDZ-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF CCc1c(-c2cn(CC(=O)O)c3ccccc23)[nH]c2ccc([C@H](C)CC)cc12 587644077 ZPVBCNZWBBNEHS-OAHLLOKOSA-N 374.484 5.950 0 1 FKAF Cc1[nH]c2ccccc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587806158 VKGXWHGBROTDDA-APBUJDDRSA-N 373.269 5.002 0 1 FKAF Cc1cccc2c1[C@H](C)C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587816616 BHDQGKONUHSNLM-VFGMZZLHSA-N 374.297 5.182 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(F)c(Cl)c1 587861066 LJIUWEGZHGXWRJ-UHFFFAOYSA-N 370.733 5.359 0 1 FKAF CC/C(=C/c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)c1ccc(C)cc1 587966007 FYRXIUFAXZFKHE-VLGSPTGOSA-N 366.464 6.053 0 1 FKAF CC1=C[C@H](c2c(O)cc(C=Cc3ccccc3)oc2=O)[C@@H](C(C)C)CC1 2356729900 QNJUNTVTYKUFSX-UXHICEINSA-N 350.458 5.612 0 1 FKAF CON(C)CCCCCCCCCCCCCCC1=CC=CN(C)C1 2356856340 RZVYRPLILYCYNG-UHFFFAOYSA-N 350.591 5.936 0 1 FKAF CCCC[C@H]1[C@H]2C[C@H](OC(=O)Nc3ccc(C)cc3)[C@@H](C2)[C@H]2CCCCN12 263590813 RTAWOHQAFLEOCR-KHSAKVFQSA-N 370.537 5.365 0 3 FKAF CC[C@H](c1cc(=O)[nH]c(SC(C)C)n1)c1c(Cl)cccc1Cl 5885805 GSMFVCCZBREOAI-SNVBAGLBSA-N 357.306 5.119 0 1 FKAF COc1cc2c(cc1O)O[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]1[C@@H]2OC 14683863 JAGJWSBNJZPDNL-BQLVWXCYSA-N 374.521 5.482 0 1 FKAF biogenic CCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12 26177593 CRPIGQGKGVLONI-UHFFFAOYSA-N 363.292 5.532 0 1 FKAF CCCN(CCC)[C@H]1CCc2cc(CCc3ccc(O)cc3)ccc2C1 27330972 HLDNXAAXZRBYJW-QHCPKHFHSA-N 351.534 5.157 0 1 FKAF CCCCCC[P@](=O)(OCC)OCc1cc(OC)c(OC)c(OC)c1 28644686 LACYNGJPKQCAMC-VWLOTQADSA-N 374.414 5.039 0 1 FKAF CC(C)(C)c1cnc(CSc2cnc(NC3CCCCC3)s2)o1 40972978 SJSDASQLMLBPML-UHFFFAOYSA-N 351.541 5.466 0 1 FKAF Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(-c3ccco3)c12 45367896 WXICUWQYVOIPNQ-UHFFFAOYSA-N 370.360 5.339 0 1 FKAF CC1(C)C[C@@](CCNc2ccc(F)c(Cl)c2)(c2ccccc2)CCO1 72108549 QLTRHKVENUFCAP-NRFANRHFSA-N 361.888 5.808 0 1 FKAF Fc1cccc(-c2nc(CNc3ccc(Oc4ccccc4)cc3)co2)c1 72185545 ODJOIFNJLUFNEP-UHFFFAOYSA-N 360.388 5.885 0 1 FKAF NC1(c2ccc(-c3nc4ccccc4cc3-c3ccccc3)cc2)CCC1 84724343 HYGFBWZFNKCVQF-UHFFFAOYSA-N 350.465 5.907 0 1 FKAF c1cc(Nc2ncnc3ccccc23)cc(Nc2ncnc3ccccc23)c1 103284169 HTHFDGVSEZFDLV-UHFFFAOYSA-N 364.412 5.060 0 1 FKAF Cc1noc(C)c1-c1ccc2c(c1)[C@H](OCc1ccc3ccccc3n1)CC2 169322575 JUNLQKMYJQGRAH-HSZRJFAPSA-N 370.452 5.711 0 1 FKAF CCCN=c1[nH]cc(-c2ccncc2-c2ccccc2C(F)(F)F)s1 473112231 BMJLHJQTBQSODA-UHFFFAOYSA-N 363.408 5.135 0 1 FKAF COc1cc(/C=C\c2nc3cccc(C)c3[nH]2)cc(Cl)c1OCC(C)C 587047212 UDJKMASULMCISI-HJWRWDBZSA-N 370.880 5.739 0 1 FKAF O=C1CCc2cc3nc([C@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3cc2N1 587050606 PWPXQNZOGLVMKF-MNOVXSKESA-N 372.255 5.026 0 1 FKAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587059607 UJVQQJZXRMWVTO-LBPRGKRZSA-N 374.193 5.131 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cccc(OC(F)(F)F)c2[nH]1 587062974 YOTJOMDLPZQXHX-GFCCVEGCSA-N 370.758 5.645 0 1 FKAF FC(F)(F)[C@@](F)(Cl)c1nc2cccc(OCc3ccccc3)c2[nH]1 587089432 DALPAQWZPLAXIM-OAHLLOKOSA-N 358.722 5.065 0 1 FKAF Fc1cccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1C(F)(F)F 587097341 JOGWVRUENXRXIW-UHFFFAOYSA-N 350.649 5.319 0 1 FKAF C[C@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1C(F)(F)F 587099199 ZCWVKKATPSHBTJ-QMMMGPOBSA-N 359.273 5.147 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587111982 CJMHXWFEOJRVIZ-MRVPVSSYSA-N 374.740 5.860 0 1 FKAF Cc1cccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c12 587138496 KZDGOFNCFZJTOW-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1F 587150400 DEZAMRPCGSHYOZ-UWVGGRQHSA-N 372.724 5.784 0 1 FKAF c1ccc(CN(Cc2nc3ccc4c(c3[nH]2)CCCC4)c2ccccc2)cc1 587196607 UAMOMJGNGHGUGV-UHFFFAOYSA-N 367.496 5.649 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cccc(NC(=O)CC(C)(C)C)c4)[nH]c32)n1 587241683 GBTAIJZGRKZVHO-UHFFFAOYSA-N 372.472 5.461 0 1 FKAF COc1cccc(-c2cc(-c3ccccc3C)nc3c2oc2ccccc23)c1 587365672 NSBNTHNGWFUXOT-UHFFFAOYSA-N 365.432 6.632 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1F)([C@H]1C[C@H]3CC[C@H]1C3)O2 587385450 OBZMHXMJJDFKPU-JDKIIAIQSA-N 365.448 5.013 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)ccc1C)CC2=O 587463967 DXEBBNFWWBELDO-GOSISDBHSA-N 364.363 5.378 0 1 FKAF C[C@H](c1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502836 BLCRQBPNCPMKNU-XCLFUZPHSA-N 374.402 5.722 0 1 FKAF CSc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587507576 RGRGIAITKWPJHV-NRFANRHFSA-N 356.462 5.307 0 1 FKAF Cc1cc(C)cc(OCc2nc3cc(Br)cc(Cl)c3[nH]2)c1 587563766 AKIFRMVGIIQTLO-UHFFFAOYSA-N 365.658 5.175 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 587565793 UDYCVONNOXIKCP-UHFFFAOYSA-N 351.494 5.522 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)Nc3ccccc3)c2c1 587640705 IRMCNHDIZRFSDR-GFCCVEGCSA-N 360.379 5.953 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)F)cc2)N1 587715732 IDXKUFXMRRDRGG-FVMDXXJSSA-N 370.212 5.149 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CCCC[C@@H]3C2)N1 587818042 PBTJUWXDCMOKDP-DZDCQFRTSA-N 366.318 5.308 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1cccs1 587860756 BKGMRAQHFNGJNE-UHFFFAOYSA-N 353.274 5.365 0 1 FKAF COc1ccc2c(c1)[C@@H](c1ccc(CSC(F)F)o1)N(C(C)C)CC2 962047337 UZYBFDHRNDZERQ-SFHVURJKSA-N 367.461 5.100 0 1 FKAF COc1ccc(Cl)c2c1CCN[C@@]2(c1cccc(Cl)c1)C1CCC1 963257124 HOMIHYFHVPWOEA-HXUWFJFHSA-N 362.300 5.191 0 1 FKAF Fc1cccc(F)c1-c1cnc(Cl)n1-c1ccc(OC(F)(F)F)cc1 1772570850 LWHMUGMRMZWSMR-UHFFFAOYSA-N 374.696 5.370 0 1 FKAF C[C@@H]1CC[C@@H]2CC[C@@H]3C(=C[C@]4(C)[C@H](O)C[C@]5(CO)CCC(C)(C)[C@@H]5[C@@H]34)[C@]12C 2356452369 NCEYLDMAYOKQNV-KUGKSJRXSA-N 372.593 5.191 0 1 FKAF CCC=C1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356472237 PCFLWNUQAQQXOU-PJVFOHNZSA-N 358.566 6.297 0 1 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@@H]([C@@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1 2356654851 MYTBMURTERFGRG-XEUUSFIASA-N 358.614 5.104 0 1 FKAF CCOc1ccc(NC(=O)N(C2CCCCC2)[C@H](C)c2ccncc2)cc1 2965281 XEYVOAAFCVJQIS-QGZVFWFLSA-N 367.493 5.408 0 3 FKAF O=C(NCc1cccs1)c1cccc2c(-c3ccc(F)c(F)c3)coc12 61903534 UHOLPYFINXJIEU-UHFFFAOYSA-N 369.392 5.370 0 3 FKAF Cc1cc(NC(=O)CCc2c[nH]c3ccccc23)ccc1Nc1cccnc1 199265057 PMRZKVAOVOXSKJ-UHFFFAOYSA-N 370.456 5.186 0 3 FKAF Fc1ccc2c(c1)S[C@@H]1Oc3ccccc3-c3c1c-2nn3-c1ccccc1 5823948 BQLGPNXCFOSHFQ-QFIPXVFZSA-N 372.424 5.842 0 1 FKAF Fc1ccc([C@H](Oc2ccc(Cl)c(Cl)c2)[C@H]2CCCNC2)cc1 13530772 XWBPISXEMVNFRZ-UGSOOPFHSA-N 354.252 5.252 0 1 FKAF CCCN(CCC)[C@@H]1CCc2ccc3c(CC(F)(F)F)c[nH]c3c2C1 13738702 IIDRMPPLCHQZHE-MRXNPFEDSA-N 352.444 5.252 0 1 FKAF CSc1sc(C(=N)N)cc1-c1csc(Nc2cccc(C)c2C)n1 28005080 UKYXZPJSWMKPCU-UHFFFAOYSA-N 374.560 5.238 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCO)CCCC(=O)O 28219658 OGEFUFFVZUBHDR-DGBCHELUSA-N 362.554 6.215 0 1 FKAF CCOC(=O)c1ccc(/C=C(C)/C=C/[C@@]23C[C@]2(C)CCCC3(C)C)cc1 28235808 FUVXBSOHMHZVTE-YQJPXKCDSA-N 352.518 6.429 0 1 FKAF OC1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2C(c1ccccc1)c1ccccc1 34337996 CLYMVAVVSSYJKT-MAOIWGCQSA-N 369.508 5.291 0 1 FKAF O=C(O)c1ccccc1Nc1ccc(CCCc2ccc(F)c(F)c2)cc1 40409716 POOKNUGUQDMZSH-UHFFFAOYSA-N 367.395 5.582 0 1 FKAF CC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)[C@@H]3OC(C)(C)O[C@@H]3[C@@]12C 40943365 RRGBZFQFRIRDNK-DSRCTXLTSA-N 358.522 5.751 0 1 FKAF c1ccc(-c2cc(NCc3cccc4ccccc34)c3[nH]ncc3n2)cc1 45324924 NMMSSQSLXLRRJF-UHFFFAOYSA-N 350.425 5.390 0 1 FKAF CCCCCC1=NN(C(=O)c2cccc3ccccc23)C[C@H]1c1ccccc1 58582285 PTPBPHTVPYIIMD-QHCPKHFHSA-N 370.496 6.016 0 1 FKAF Cc1ccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1Cl 72109323 DGPAUDJRYGLISJ-QFIPXVFZSA-N 357.925 5.977 0 1 FKAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C 85647276 WNMPECVUVQDPTP-HLFURJJSSA-N 366.589 6.615 0 1 FKAF CCCCCCC(=O)Nc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167551679 ROGYLSUJTYSVAY-UHFFFAOYSA-N 365.477 5.143 0 1 FKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3C4=CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1 255221826 JUAATDNYHZEPLN-UPCWWSSOSA-N 358.522 5.086 0 1 FKAF Cc1cc(Cc2nc3cc(Cl)cc(F)c3[nH]2)ccc1Br 586978129 XSSKFGMYPVRIFA-UHFFFAOYSA-N 353.622 5.017 0 1 FKAF COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1 587025903 PEARUZCPBFGEBE-UHFFFAOYSA-N 368.845 5.398 0 1 FKAF Cc1cc(F)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 587063336 TVKOZNQGOHZCIN-UHFFFAOYSA-N 350.824 5.922 0 1 FKAF Cc1ccnc2[nH]c([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587068587 BHKDQJDHNNEUNB-NCIRPWHGSA-N 372.299 5.939 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc[nH]c(=N)c2[nH]1 587070185 GOIPUQKQNOJQCA-JXBCQSMISA-N 373.287 5.043 0 1 FKAF Cc1ccccc1[C@H]1Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587100414 JGZQMKPVTXKPQB-HXUWFJFHSA-N 361.444 5.751 0 1 FKAF CC(C)(C)Oc1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(N)cc1F 587136422 PYQDJQLGXALIEF-UHFFFAOYSA-N 369.774 5.060 0 1 FKAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 587169149 UGFPNTIWSPIXQH-QMMMGPOBSA-N 369.621 5.258 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccccc3)cc1)CC2=O 587490052 RDOITXOLAHTJRK-VWLOTQADSA-N 372.464 5.892 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccccn3)cc2)Oc2c1ccc1c2CCCC1 587513587 DBDXFBZACVTPIJ-QHCPKHFHSA-N 355.437 5.334 0 1 FKAF O=C1C[C@](Cc2ccccc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587527256 ZYRNLCXOWTVAGN-AREMUKBSSA-N 368.476 5.669 0 1 FKAF O=C(Nc1ccc(Cl)c(Cl)c1)n1nc2cc1Oc1ccc(F)cc1-2 587874345 WDSYPNGWAHRCPF-UHFFFAOYSA-N 364.163 5.182 0 1 FKAF Fc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c(F)c1F 587949938 OBJAPPMYHHKXKG-ZHACJKMWSA-N 366.342 5.943 0 1 FKAF Clc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2nc1Cl 587962090 QZCYKWGZRHGZAB-UHFFFAOYSA-N 354.240 5.523 0 1 FKAF COc1ccc2c(c1)[C@](CC1CC1)(c1ccc(Cl)cc1)N[C@H]1CC[C@H]21 962997688 SANUINUROFFKFS-HJNYFJLDSA-N 353.893 5.242 0 1 FKAF CC1(C)Cc2occc2[C@@]2(C1)c1ccsc1CCN2Cc1cccnc1 962999488 YIJDDNRPWWWFMB-QFIPXVFZSA-N 364.514 5.010 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(Cl)c(O)cc1Cl 963226869 IDGOVALBESQCAX-HXPMCKFVSA-N 350.289 5.445 0 1 FKAF CC(C)c1cc(O)ccc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 1772581924 DEYQMFJDDXAIAE-UHFFFAOYSA-N 368.440 5.602 0 1 FKAF CC(C)=CC[C@H]1C[C@@H](CC=C(C)C)C(C)(C)[C@H](C(=O)c2ccccc2)C1=O 1772650808 GDRAURLTFRELNC-BHDDXSALSA-N 366.545 6.430 0 1 FKAF Oc1ccc(-c2ccc(CNCCc3c[nH]c4ccc(Cl)cc34)o2)cc1 1857543383 IQSHZXCDVNWAOT-UHFFFAOYSA-N 366.848 5.119 0 1 FKAF O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1-c1ccccc1 1911585659 XVVMNHILNINJSN-UHFFFAOYSA-N 357.331 5.814 0 1 FKAF CC1=C2C[C@@]3(C[N@]4C[C@]45CCCC54CCCC4)CC[C@@H](C)[C@@]2(CC1)C3(C)C 2356521412 WXPVGYXKHDXKPM-ZJQFWPFFSA-N 367.621 6.728 0 1 FKAF CCCCCC1=C[C@H](O)C=CCC=C(CC[C@H](C)CCCC(=O)O)O1 2356820646 FNADGMSSLFUCRL-QZTJIDSGSA-N 350.499 5.343 0 1 FKAF C[C@]1(c2nnc(-c3ccc(Cl)cc3)o2)CC(c2ccc(Cl)cc2)=NO1 13660336 UVOYRFKEVUCXIN-GOSISDBHSA-N 374.227 5.083 0 3 FKAF S=C(Nc1ccccc1)O[C@H]1CCC12CCC(c1ccccc1)CC2 96019264 LBLLSBIMNNADEC-JGBTYHIZSA-N 351.515 5.907 0 3 FKAF COc1cccc2c(Nc3ccccc3C)c(C(=O)C3CCCC3)cnc12 13727250 NVBZLGYBAAWBAJ-UHFFFAOYSA-N 360.457 5.668 0 1 FKAF CC(=O)CCCCCCCCCCCCCCc1ccc2c(c1)OCO2 14591313 OHKYJRJHRQFHDW-UHFFFAOYSA-N 360.538 6.618 0 1 FKAF biogenic CC(C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@](C)(O3)[C@@H]2[C@@H]1OC(=O)/C=C/c1ccccc1 15159984 RFPFUPCCKCHQLQ-ULGXZQJGSA-N 368.517 5.251 0 1 FKAF CC(=C/CN1CCOCC1)/C=C/C=C(C)/C=C/[C@@H]1[C@@H](C)CCCC1(C)C 25986185 JGEUGBGGYLQOTH-CFPHVSQQSA-N 357.582 5.786 0 1 FKAF Cc1cc(C(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 38157815 ZCNMYWFYOSEHOL-UHFFFAOYSA-N 362.429 5.458 0 1 FKAF CC(C)(C)c1ccc(CN(Cc2cccc3ccccc23)n2cncn2)cc1 38424029 ICPSTRZSARVURP-UHFFFAOYSA-N 370.500 5.067 0 1 FKAF CCC[C@@H](C)C(=O)N1c2ccccc2-c2ccccc2[C@@H]1c1cccs1 40412205 DCTXKHYTXQFCET-OPAMFIHVSA-N 361.510 6.287 0 1 FKAF C[C@@H](N[C@H]1CCC[C@H](c2ccc(C(=O)O)cc2)C1)c1cccc2ccccc12 43205422 XHECHHFQBPQRSS-WTNAPCKOSA-N 373.496 5.915 0 1 FKAF Fc1ccc([C@@H]2C[C@H]3CC[C@H](S3)[C@H]2c2cc(-c3ccccc3)no2)cc1 66111518 LSHLQBBAJNMIOH-JZZBYWGLSA-N 365.473 6.016 0 1 FKAF CC1(C)C[C@](CCNc2cccc(C(C)(C)C)c2)(c2ccccc2)CCO1 72109144 UQVCHLFKAFFRFR-RUZDIDTESA-N 365.561 6.313 0 1 FKAF Cc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccco2)sc1C 82165431 OLZOHUYTDXEKFS-WBMJQRKESA-N 368.506 5.468 0 1 FKAF CC[C@H](C(=O)Nc1ccccc1N(C)Cc1ccccc1)c1ccccc1 95552912 XPJGUGUJFXFDGZ-NRFANRHFSA-N 358.485 5.455 0 1 FKAF Clc1ccc(Cl)c(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1Cl 95587925 HIKRIVCRSDESKA-MLGOLLRUSA-N 356.680 5.376 0 1 FKAF COC1=CC2=N/C1=C/c1ccc([nH]1)CCCCCCCCCc1ccc2[nH]1 137411424 JPPBJMYDABMXAF-PXLXIMEGSA-N 363.505 5.546 0 1 FKAF CC(C)=CCC/C=C/CC/C(C)=C/COc1ccc2ccc(=O)oc2c1 238773991 VPQAIISANYIHKZ-DGCXVUDQSA-N 352.474 6.201 0 1 FKAF C[C@H](CCCO)[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 261070981 ACKIMFUPMAASSZ-SQTXFEEQSA-N 362.598 5.415 0 1 FKAF COC1CCC(c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)CC1 586993281 XJOLVJNZDPXOIQ-UHFFFAOYSA-N 373.452 5.133 0 1 FKAF Fc1c(F)c(F)c(/C=C\c2nc3cc(Cl)cc(F)c3[nH]2)c(F)c1F 587134606 NWIUARMRDOSLMY-UPHRSURJSA-N 362.660 5.221 0 1 FKAF Cc1cc(Cl)cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587136431 GFWOMZYUUDWJIQ-UHFFFAOYSA-N 374.040 5.747 0 1 FKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(C)nc4[nH]3)cc2F)c1 587143407 RACUJSGQZFPHRG-UHFFFAOYSA-N 367.811 5.401 0 1 FKAF Cc1ccc(/C=C\c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1F 587146479 NCNJNAGAMJETPV-PLNGDYQASA-N 354.734 5.853 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2c(F)cnc(Cl)c2[nH]1 587240207 ASECFMVDCWXJBA-UHFFFAOYSA-N 368.799 5.170 0 1 FKAF C[C@]1(CCC2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349545 CIBGLOTYLRGDLP-FYYLOGMGSA-N 368.448 5.619 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(C)(C)C)ccc1Cl)CC2=O 587459983 JTMACNFRKNNBOJ-HXUWFJFHSA-N 372.892 6.002 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(c1c(F)ccc(F)c1F)CC2=O 587466014 IZXIOUHAFLHSKU-FQEVSTJZSA-N 364.363 5.033 0 1 FKAF O=C1C[C@@H](c2c(Cl)ccc3cccnc23)Oc2c1ccc1c2CCCC1 587506740 OKBGHJJBNZKOGJ-IBGZPJMESA-N 363.844 5.474 0 1 FKAF Cc1cc(C)c(-n2cccn2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587516256 BOXCAIYPXQGNAS-QFIPXVFZSA-N 372.468 5.074 0 1 FKAF O=C1C[C@H](c2cnc(-c3ccsc3)s2)Oc2c1ccc1c2CCCC1 587535242 JMDZDVJVDNAFKJ-QGZVFWFLSA-N 367.495 5.457 0 1 FKAF CC[C@H](C)[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603885 PZUCOEWLDBGORL-UCDXZGONSA-N 366.457 5.329 0 1 FKAF O=C(c1c(-c2ccc(O)cc2)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F 587629890 MNSHFHRIKYBXNF-UHFFFAOYSA-N 357.690 5.078 0 1 FKAF Cc1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2cc(Cl)c(F)cc12 587631526 DOXINFCZFXLHTL-UHFFFAOYSA-N 366.864 5.383 0 1 FKAF O=C(c1c(-c2ccc3ccccc3c2)[nH]c2cc(F)ccc12)C(F)(F)F 587633933 OWRNLRXDNRIXSR-UHFFFAOYSA-N 357.306 5.872 0 1 FKAF COc1cccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1O 587786851 NJARFAKVLUNUNP-UHFFFAOYSA-N 373.437 5.221 0 1 FKAF Cc1ccc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587815854 QOBYWONTUKROGN-YJYMSZOUSA-N 362.286 5.003 0 1 FKAF COc1ccc(C2(c3nc4cccc(Cl)c4[nH]3)CC3(CCC3)C2)cc1 587934110 AZAGAMGRPIBGMN-UHFFFAOYSA-N 352.865 5.475 0 1 FKAF CCC(C)(C)[C@@]1(c2ccc(C)cc2C)c2c(F)cccc2C[C@@H]2CCCN21 963097916 OBNCTKHZPQGMBX-NBGIEHNGSA-N 365.536 6.143 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1c(F)cccc1C(F)(F)F 963098444 GVTIZRFTTKOADH-FZKQIMNGSA-N 353.334 5.094 0 1 FKAF O=C(c1ccco1)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12 1857574592 WCNPHHBOKDBHIK-UHFFFAOYSA-N 353.780 5.306 0 1 FKAF O=C(c1ccc(-c2cccc3[nH]ccc23)s1)c1cc(F)c(F)c(O)c1F 1857772671 JHOCMAGGDWVVGZ-UHFFFAOYSA-N 373.355 5.250 0 1 FKAF CC(C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356571580 VQSNHPSNPFDOJF-NROBUGHJSA-N 372.637 6.999 0 1 FKAF COc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3c(C)ccc(C(C)C)c32)cc1 12479086 SKNHBIKYZAIJSJ-ZEQRLZLVSA-N 372.508 6.783 0 3 FKAF Clc1ccccc1Nc1nc(NCc2cccs2)nc2ccsc12 61895961 MOTNANVOXIPMAA-UHFFFAOYSA-N 372.906 5.762 0 3 FKAF CC(C)[C@H](C(=O)Nc1nc(-c2cccnc2)cs1)c1ccc(Cl)cc1 6969370 YHUCCEWONYIORT-KRWDZBQOSA-N 371.893 5.237 0 1 FKAF OCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 13588173 FQINJZOKZQVKKN-UHFFFAOYSA-N 372.453 5.076 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](C)C(=O)NC(C)C 13761115 NZNLIWSEVRUPQF-PZSIIWHGSA-N 359.598 6.903 0 1 FKAF CC[C@H](c1cccc(Oc2ccccc2)c1)n1c(C(=O)OC)c[nH]c1=S 28336197 AHJKRBNNDJSDMP-QGZVFWFLSA-N 368.458 5.124 0 1 FKAF Cc1cc(-c2cc(Cl)cc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C 29043415 TVKQINGZQAQVCA-LBPRGKRZSA-N 373.327 7.148 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)C1 33825576 ZTUCCRORYZZSRU-YESZJQIVSA-N 356.550 7.067 0 1 FKAF O=C(O)c1cc(C2CC2)ccc1Nc1ccc(-c2ccccc2Cl)nc1 43203072 LWIQBBKLFCFUTO-UHFFFAOYSA-N 364.832 5.721 0 1 FKAF COc1ccc(F)c([C@@H](Nc2ccc(F)cc2F)[C@H]2CCCCC2=O)c1 66258951 ZEAXPHLFWYGMJF-XOBRGWDASA-N 363.379 5.025 0 1 FKAF CC(C)C1CCN(c2nccc(NCc3cccc4ccccc34)n2)CC1 72123468 XRGDRBAOIBNRQZ-UHFFFAOYSA-N 360.505 5.114 0 1 FKAF FC(F)(F)c1ccc(-c2cc(N[C@@H]3CCc4ccccc43)ncn2)cc1 82162106 FUGUWJIOOLTODT-QGZVFWFLSA-N 355.363 5.262 0 1 FKAF CC[C@H](C)Nc1ncc(-c2nc3ccccc3s2)c(-c2cccc(C)c2)n1 82173701 KVZUULKIGAQZSK-HNNXBMFYSA-N 374.513 5.939 0 1 FKAF COc1cccc(Nc2ccnc3[nH]c4ccc(Br)cc4c23)c1 103297580 QGSUCQCPNDKUPW-UHFFFAOYSA-N 368.234 5.231 0 1 FKAF CC(C)=C/C=C/C(C)=C/C=C\C(C)=C1\CC[C@H]2CC3(CC[C@]12C)OCCO3 169363802 OCEKTERSTDTPPR-KRINSGSESA-N 368.561 6.671 0 1 FKAF Cc1ccc(NC(=O)Nc2ncccc2OCc2cccc(Cl)c2)cc1 206967969 FDFPRNZBNRNYRW-UHFFFAOYSA-N 367.836 5.266 0 1 FKAF Cc1cc(Br)ccc1OCc1nc2ccc3c(c2[nH]1)CCCC3 586981028 JOIYSUQJNFZFSB-UHFFFAOYSA-N 371.278 5.092 0 1 FKAF CCc1ccc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)cc1 586990408 DSJMNBXLNZIQKX-UHFFFAOYSA-N 365.432 5.690 0 1 FKAF COc1ccc(C)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990837 GELXTULIHGGQAA-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc4c(s3)CCC4)nc3ccc(O)c1c23 586994516 VXGOQMZJPOJVCP-UHFFFAOYSA-N 369.445 5.369 0 1 FKAF Clc1ccc(CC2(c3nc4ccc(Br)cc4[nH]3)CC2)cc1 587073572 LIDMTZZXQSEHCH-UHFFFAOYSA-N 361.670 5.253 0 1 FKAF FC(F)(F)Sc1ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1 587084985 WDYQNOLSXQXYFR-UHFFFAOYSA-N 364.179 5.544 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)Cc1ccc(Cl)cc1C3 587104627 VSCOWRQJTIIEQI-UHFFFAOYSA-N 367.835 5.595 0 1 FKAF Cc1cccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587111333 DZDNWNLULMJBDT-UHFFFAOYSA-N 368.358 6.349 0 1 FKAF Cn1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(C(F)(F)F)c1 587112689 QCECBQQXKIQELR-UHFFFAOYSA-N 367.680 5.259 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc12 587115785 ASADVGKDXDNSKY-UHFFFAOYSA-N 370.172 5.023 0 1 FKAF Cc1cccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 587123055 QXSMNRVHBBTWGK-UHFFFAOYSA-N 352.381 5.203 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587135795 FDOUJLAVXUTIEI-UHFFFAOYSA-N 365.221 5.568 0 1 FKAF Cc1ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1C 587192611 WWTJOBYPPRTZRS-IBGZPJMESA-N 365.477 5.136 0 1 FKAF CC[C@@]1(C)C=Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587364711 BDVGDKQTTZWREP-VWLOTQADSA-N 369.464 6.642 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(-n3cccc3)c1)CC2=O 587471273 PLRKSXCVHZDJIR-HSZRJFAPSA-N 361.441 5.016 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCCc3ccc(F)cc31)CC2=O 587472005 OLPYXGPKFDZYAT-QFIPXVFZSA-N 354.421 5.071 0 1 FKAF C[C@@H](c1ccc(Cl)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587498286 FCLVNRCCTSQAMP-FPTDNZKUSA-N 354.877 5.746 0 1 FKAF O=C1C[C@H](c2[nH]c3ccccc3c2Cl)Oc2c1ccc1c2CCCC1 587500890 QHZRGHOKDQJMQK-GOSISDBHSA-N 351.833 5.407 0 1 FKAF Cc1cccc(OCc2nc3cccc(OCc4ccccc4)c3[nH]2)c1C 587563617 GNUVRKRFTJJUKR-UHFFFAOYSA-N 358.441 5.338 0 1 FKAF CCOc1ccc(-c2[nH]c3cc(F)ccc3c2-c2ccc(Cl)cc2)cc1 587632744 KDHNHNPXEGCQEG-UHFFFAOYSA-N 365.835 6.693 0 1 FKAF Fc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1F 587784874 VKBURVYDUFXCNX-DHZHZOJOSA-N 362.379 5.591 0 1 FKAF CC(C)C[C@@H]1CC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587817318 JYQYEVMEJSQKBZ-ZJNRKIDTSA-N 354.307 5.164 0 1 FKAF C[C@@H](Oc1ccc2ccccc2c1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873490 GJPGRRLVVRIUEP-CYBMUJFWSA-N 374.371 5.056 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)c(O)c2)cc1OC 587928128 YYCPFEBYMWDNHB-UHFFFAOYSA-N 374.440 5.237 0 1 FKAF COc1cccc(C(=O)c2ccc(-c3nc4cc(SC)ccc4[nH]3)cc2)c1 587930561 JUHAIUWTQSSWPM-UHFFFAOYSA-N 374.465 5.191 0 1 FKAF Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O 587937483 MAAUNSPNJWCACZ-UHFFFAOYSA-N 371.436 5.443 0 1 FKAF C[C@H]1C[C@@H](C(=O)Nc2nc3cc(Cl)cc(Cl)c3s2)CC(C)(C)C1 1857773156 XLIYZAZOULZHQP-VHSXEESVSA-N 371.333 6.004 0 1 FKAF CC(=O)CCCCCCCCCCCC[C@@H]1CC[C@@H](OC(C)=O)[C@@H](C)N1 2356380587 LRKWDKCSHJWJST-CEMLEFRQSA-N 367.574 5.329 0 1 FKAF CCC(=O)CCC(C)=CCCC(C)=CCCC=C[C@@H](C)C[C@@H](C)C(C)=O 2356475444 CLTCZDNSFUWVFV-FGZHOGPDSA-N 360.582 7.006 0 1 FKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 2356675273 OBWGUKUMNJWSCT-ODMZTYEXSA-N 366.589 7.103 0 1 FKAF O[C@H](c1ccc(F)c(F)c1)c1nc(-c2ccc3ccccc3c2)cs1 61905104 DNZPEQZOYAVACT-LJQANCHMSA-N 353.393 5.323 0 3 FKAF COc1ccccc1CCn1cnc(-c2ccc(F)cc2)c1CC(C)C 169304372 XIIHBXAGHNEMDY-UHFFFAOYSA-N 352.453 5.139 0 3 FKAF CC(C)(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21 2005135 MYSJNRWPLKEUQT-UHFFFAOYSA-N 358.445 5.228 0 1 FKAF Cc1cc(N)c2cc(NC(=O)/C=C/c3c(Cl)cccc3Cl)ccc2n1 13448042 UIRKQLPJWDHWTE-SOFGYWHQSA-N 372.255 5.084 0 1 FKAF O=C(c1cc2ccccc2[nH]1)c1cc2cc(OCC3CCCCC3)ccc2[nH]1 13472543 HRNOZQIWUKARCY-UHFFFAOYSA-N 372.468 5.839 0 1 FKAF C[C@@]12C=C(/C=C/c3ccc(F)cc3)[C@@](C)(C1)[C@@H](c1ccc(F)cc1)CC2=O 13783083 MLERNJKRLAOFMP-GPIPTUJCSA-N 364.435 6.077 0 1 FKAF c1ccc(-c2ccc(Oc3ccc(OCCN4CCCC4)cc3)cc2)cc1 13805457 JOAPAHXFXLAMGI-UHFFFAOYSA-N 359.469 5.621 0 1 FKAF CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc2n1 36351858 BIDLIOISUBBYOB-DHZHZOJOSA-N 365.864 5.075 0 1 FKAF CCC/C=C/CSC[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 40747124 QXBFRDGMYMBQMJ-PJBGOPPHSA-N 352.540 5.071 0 1 FKAF CN(C(=O)c1cc2c(s1)-c1ccccc1OCC2)c1ccccc1Cl 72171769 GMPBOYJSGBEFIG-UHFFFAOYSA-N 369.873 5.280 0 1 FKAF C[C@H]1[C@H](NCc2coc(-c3ccc(C(C)(C)C)cc3)n2)C[C@@H]2C[C@H]1C2(C)C 72186242 AKTOYEBCXLNNNW-NSGGIEJNSA-N 366.549 5.799 0 1 FKAF CCN(CC)C(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1 84740312 JCUMQBVGHCPDEW-UHFFFAOYSA-N 365.520 6.474 0 1 FKAF CCCCCCSC[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100666301 YHSIOGBAMKKEDO-LYCXOXAUSA-N 354.556 5.295 0 1 FKAF Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(Cl)cc1)c1nccn1C 103244910 YAWYKJFTXCRSSS-LJQANCHMSA-N 350.853 5.065 0 1 FKAF CCOc1ccc([C@@H]2c3c(ccc4ncccc34)N=C3CCCC(=O)[C@H]32)cc1 169691234 XYTRLGRKPXOCIJ-VWNXMTODSA-N 370.452 5.221 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(Br)cc(F)cc4[nH]3)cc2)o1 586903565 QYVIDZNQPRLONP-UHFFFAOYSA-N 371.209 5.700 0 1 FKAF COc1cccc(Cl)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103856 MFJKTQGDNXVVIA-UHFFFAOYSA-N 371.823 5.775 0 1 FKAF CC(=O)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587162390 AJJKSFRAUFMNPK-GZTJUZNOSA-N 362.429 5.555 0 1 FKAF Fc1ccc(COc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587214336 XZCHJUSSZDOHKM-UHFFFAOYSA-N 355.412 5.719 0 1 FKAF c1ccc(CNc2ncccc2-c2nc3cc4ccccc4cc3[nH]2)cc1 587229184 BEXLBWGNLIPIQL-UHFFFAOYSA-N 350.425 5.390 0 1 FKAF COc1cccc(-c2cc(CC(=O)C3(C)CC3)nc3c2oc2ccccc23)c1 587364529 CWXKZOAILZOTKH-UHFFFAOYSA-N 371.436 5.568 0 1 FKAF COc1cccc(-c2c([C@@H](C)CC(C)(C)C)cnc3c2oc2ccccc23)c1 587366090 RGCHSFQSUSNHND-INIZCTEOSA-N 373.496 7.196 0 1 FKAF COc1cc2c3c(c1)O[C@](CCCC(C)C)(c1ccccc1)[C@@H](C2)C3=O 587443095 OLGSSQRPQYJYGS-WMZHIEFXSA-N 350.458 5.164 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1SC(C)(C)C)[C@@H](C2)C3=O 587450793 UVVRSVLZEMLKRG-KSFYIVLOSA-N 368.498 5.249 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc3[nH]cc(Cl)c13)CC2=O 587459713 FRUMCKWOLOIYCV-SFHVURJKSA-N 355.821 5.186 0 1 FKAF Cc1ccc2oc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 587614992 FCQRMRODHVZQTH-NFBKMPQASA-N 372.376 5.150 0 1 FKAF Cc1cccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)c1 587628774 POCCXKXSTWZAIZ-UHFFFAOYSA-N 355.718 5.681 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(OC)cc3OC)c2c1 587643014 QPPHGLLNSCAQGF-ZDUSSCGKSA-N 366.461 5.259 0 1 FKAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587816288 WAFKXVPEZRZOHD-DJJJIMSYSA-N 362.286 5.003 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)c3ccccc32)N1 587824595 XQQSPYPOSCZRLC-ODXCJYRJSA-N 374.297 5.047 0 1 FKAF CC[C@@]1(Cc2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587853732 RETAESSJKUZMOL-GTNSWQLSSA-N 368.315 5.032 0 1 FKAF CC/C(=C\c1nc2ccc(F)c(Br)c2[nH]1)c1ccc(C)cc1 587966437 HMBFILVXZYVDLI-ZRDIBKRKSA-N 359.242 5.724 0 1 FKAF CC/C(=C\c1nc2cc(F)cc(Br)c2[nH]1)c1ccc(C)cc1 587968046 SJXJXBZNOTXVJX-XYOKQWHBSA-N 359.242 5.724 0 1 FKAF FC1(F)CCN(Cc2cccc3cc[nH]c23)C[C@@H]1CCc1ccccc1 1772636186 YFIHOXPEZFETCV-FQEVSTJZSA-N 354.444 5.258 0 1 FKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2c1oc(=O)n2C 1857572185 PBSKPQAVTANQDU-OVOQHVDUSA-N 369.505 5.178 0 1 FKAF N=C1CSC2=NC3=C(CCC/C3=C\c3ccccc3)[C@H](c3ccccc3)N12 1629652 ZFMXFZRSVPPFHE-NSSKUTDJSA-N 371.509 5.645 0 1 FKAF O=[S@@](Cc1[nH]c2ccccc2c1Sc1ccccc1)c1ccccc1 3778850 WEJMICDBYIOXOH-RUZDIDTESA-N 363.507 5.627 0 1 FKAF Cc1ccc(-c2c(-c3ccccc3)sc(N)c2C(=O)c2ccccc2)cc1 13518339 AFPFAYROMNFHMI-UHFFFAOYSA-N 369.489 6.204 0 1 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccccc1)Oc1ccc(F)cc1-3 13777155 VXRLIUYZYDZKBE-DEOSSOPVSA-N 371.455 6.582 0 1 FKAF CC(C)(C)c1ccc(-c2cccc(Nc3ccc4c(c3)OCCO4)n2)cc1 14974022 BAFLKKRJUAFLJG-UHFFFAOYSA-N 360.457 5.561 0 1 FKAF CC(C)c1ccc([C@@H](Sc2ccccc2)c2ccccc2)c(O)c(=O)c1 25979619 SYDZALAMYVWKAV-QHCPKHFHSA-N 362.494 5.758 0 1 FKAF FC(F)(F)c1nc2cc(Cl)c(Oc3cccc4ccccc34)cc2[nH]1 53276440 MFAYVIPNXARIGH-UHFFFAOYSA-N 362.738 6.181 0 1 FKAF C[C@@]1(c2ccccc2)CCN(c2cccc(-c3cccc(F)c3)c2)C(=O)O1 72118691 SFOFGISPBWRXTM-QHCPKHFHSA-N 361.416 5.755 0 1 FKAF CC1(C)CC(=O)c2c(nn(-c3ccc[nH]3)c2-c2ccc(Cl)c(Cl)c2)C1 73223452 HLWPJABBWPGCTP-UHFFFAOYSA-N 374.271 5.329 0 1 FKAF CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc2c3ccccc3n(C)c2c1 95559042 AYKFDWKEWAPUEU-UGKGYDQZSA-N 358.529 5.756 0 1 FKAF COc1ccc(COc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1 103189469 XMUZZGSVWAAAGT-UHFFFAOYSA-N 374.362 5.058 0 1 FKAF CC(C)(c1ccccc1)c1ccc(-c2cc(Cl)cc(Cl)c2)c(O)c1 115500657 CMFRWRRJXPMWNF-UHFFFAOYSA-N 357.280 6.692 0 1 FKAF C[C@@H]1[C@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cccnc5)=CC[C@H]4[C@@H]3CC[C@H]12 141054852 JSOBPDOKYJKCFC-VPMKJNEUSA-N 365.561 5.725 0 1 FKAF CC(=O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)C(=O)O 238737229 SFLIVRHHZBCWND-BUSJRZTHSA-N 362.510 5.760 0 1 FKAF CC(C)=C(C)c1c(O)c2c(c(C(=O)c3ccccc3)c1O)OC(C)(C)C=C2 238744462 XMURHKKDCXSJJB-UHFFFAOYSA-N 364.441 5.326 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H]1C[C@@H](c2ccccc2)CCC1=O 504197489 CBLGISWYJDCLIC-DIINWTLSSA-N 371.521 5.079 0 1 FKAF biogenic O=C1c2ccccc2-c2cc(-c3ccc(O)cc3Cl)nc3ccc(O)c1c23 586986960 WEVVQELWQMBJPH-UHFFFAOYSA-N 373.795 5.178 0 1 FKAF Clc1cccc(/C=C\c2nc3c(Br)ccnc3[nH]2)c1Cl 587053333 CQHPWFGDDYVFFS-PLNGDYQASA-N 369.049 5.198 0 1 FKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Cl)cc(C)c2[nH]1 587075661 KKVMCPSKHOHDIT-UHFFFAOYSA-N 357.244 5.339 0 1 FKAF CC[C@@H](C)[C@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100370 ICBWRHHNFOIZST-GDBMZVCRSA-N 355.481 6.221 0 1 FKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 587158109 JRAQKWGQARBACX-UHFFFAOYSA-N 370.427 5.727 0 1 FKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cccc(F)c3[nH]2)c(Cl)c1 587159403 OUJAMOIJLMBOLI-LJQANCHMSA-N 370.786 5.663 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C)CC(C)(C)C3)c1 587365115 FAKDBBMCDRJNCU-HNNXBMFYSA-N 371.480 6.733 0 1 FKAF COc1cccc(-c2c(C)c([C@@H]3CC3(C)C)nc3c2oc2ccccc23)c1 587365567 LXUWVJJQVIJPIY-SFHVURJKSA-N 357.453 6.479 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3ccsc13)CC2=O 587496736 TULIPHYXBZWBGM-OAQYLSRUSA-N 352.455 5.440 0 1 FKAF O=C1C[C@H](c2ccc3cccc(Cl)c3n2)Oc2c1ccc1c2CCCC1 587497885 HLWUYCKJYISZAN-HXUWFJFHSA-N 363.844 5.474 0 1 FKAF CCOc1c(Cl)cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498349 NFVATTSIKHGRLH-IBGZPJMESA-N 356.849 5.324 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccccc3O)cc2)Oc2c1ccc1c2CCCC1 587533602 RMKKFDWFDHUPLE-XMMPIXPASA-N 370.448 5.645 0 1 FKAF Cc1c(Cc2ccccc2Br)[nH]c2ccc(F)c(Cl)c12 587629018 YCQLFQGCKHXXRE-UHFFFAOYSA-N 352.634 5.622 0 1 FKAF O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2O)[nH]c2cccc(F)c12 587633243 WLBHPUTYVCNUDP-UHFFFAOYSA-N 365.791 5.564 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(C)c3)c(C(=O)C(F)(F)F)c2c1 587643174 ZKPRBFMYQCEIAB-CYBMUJFWSA-N 359.391 6.402 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2F)N1 587726423 XHZXILDPHQLSJJ-ZKANADHPSA-N 372.640 5.004 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(C)(C)C)(C2CC2)N1 587816309 WGVLHDJRZNDTCX-VOJFVSQTSA-N 354.307 5.164 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]3CCCC[C@@H]32)N1 587816936 GBURXCZJTKTGRT-PITQQHRWSA-N 366.318 5.308 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2CCC2)N1 587819763 NGUXMSOVDAADFF-RNODOKPDSA-N 374.297 5.166 0 1 FKAF Cc1cnc(Cl)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 587950636 SRWSRDDAUHDVTB-VAWYXSNFSA-N 361.832 5.882 0 1 FKAF COc1ccc2nc(Cl)c(/C=C\c3ccc(C(F)(F)F)cc3)cc2c1 653798439 VDPMPSCTBQPGOR-DJWKRKHSSA-N 363.766 6.086 0 1 FKAF Cc1c(F)ccc2c1[C@@](Cc1ccc(F)cc1)(c1ccc(F)cc1)NCC2 962087474 FDAMGEGURRZGQS-HSZRJFAPSA-N 367.414 5.044 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)c3ccccc23)N1 962950497 NIHGVTSMZODSIN-CMJOXMDJSA-N 356.469 5.343 0 1 FKAF Cc1ccc([C@@]2(c3ccc(C)cn3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963092869 AUMXVXNURORWJC-DHLKQENFSA-N 372.487 5.150 0 1 FKAF Cc1ccc([C@]2(c3ccc(C)cn3)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963092885 AUMXVXNURORWJC-WIOPSUGQSA-N 372.487 5.150 0 1 FKAF CC(C)=CCOc1ccc(CC[C@@]2(C)NCCc3cc(Cl)ccc32)cc1 963378497 GJNWJEZRUBJXHG-HSZRJFAPSA-N 369.936 5.679 0 1 FKAF O=Cc1ccc(OC(=O)c2c(-c3ccccc3)sc3c2CCCC3)cc1 1772638387 RBSOLOFCOJAHIP-UHFFFAOYSA-N 362.450 5.326 0 1 FKAF NC(=S)c1cccc(-c2cn(CCC(F)F)c3cc4cc[nH]c4cc23)c1 1857585872 YXIKZYCNYQLDLK-UHFFFAOYSA-N 369.440 5.079 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\[C@@H](C)/C=C\CCCC(=O)NCCO 1857763513 DYIIIMYTCWNUID-AHAZDQFESA-N 361.570 5.487 0 1 FKAF CCCCCC1=CC(O)=C2[C@@H]3C=C(C)C=C[C@H]3C(C)(C)O[C@@]2(C(=O)O)C1 2356338501 YZGCYNMNFASAOK-YVHKJVDXSA-N 358.478 5.090 0 1 FKAF COc1c(CC=C(C)C)c(O)cc(C=Cc2ccccc2)c1CC=C(C)C 2356466278 ZMMOCDBCJOUFDQ-UHFFFAOYSA-N 362.513 6.589 0 1 FKAF CC[C@H](O)[C@H](C)CCCC(C)=CC[C@@H](O)C(C)=Cc1csc(C)n1 2356539500 QLPPQPNJLHXPOV-UIAACRFSSA-N 351.556 5.129 0 1 FKAF CN(c1cc(F)cc(F)c1)c1ccc2n[nH]c(/C=C/c3ccccn3)c2c1 2382217272 UQLJOQKYBXUIFI-FNORWQNLSA-N 362.383 5.174 0 1 FKAF CC[C@H](C)Oc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1 13682624 ASJKXLWMEDOKEV-ZDUSSCGKSA-N 354.841 5.113 0 3 FKAF Fc1cccc(Cc2c(C3CCCCC3)nc3c4ccccc4ccn23)c1 95566537 XKXVMVZOGRJITA-UHFFFAOYSA-N 358.460 6.265 0 3 FKAF CCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 5645532 ZBPQBCXWLUSWGS-TVSPITPHSA-N 360.538 5.310 0 1 FKAF biogenic CC(C)[C@@]12CC[C@]3(CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]3C1)[C@@H](CN)C2 12672056 CFSIKOAGZWBLPX-GVACREHWSA-N 361.570 5.085 0 1 FKAF CCc1c(C)sc2c1CCN(Cc1ccccc1F)[C@H]2c1ccccc1 21337806 OFEQTWIRIOQICC-QFIPXVFZSA-N 365.517 5.906 0 1 FKAF COc1ccc(OCCCCCCCCc2cc(C)no2)c(Cl)c1 27865323 OGQLSIWOBFDNFH-UHFFFAOYSA-N 351.874 5.607 0 1 FKAF CCOC(=O)C(C)(C)c1nc(-c2ccc(Cl)cc2)oc1-c1ccco1 28223080 CVEIVWSWEUGQTL-UHFFFAOYSA-N 359.809 5.096 0 1 FKAF CCCC[C@@H]1CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]1N 28821798 OTPNVPYDTCYPTA-ABAIWWIYSA-N 368.365 5.068 0 1 FKAF CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 40411708 FPUKGJMTLUQGFZ-UHFFFAOYSA-N 356.491 5.158 0 1 FKAF CC(C)NCc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1 45168212 DLCASCNLXSVZMV-UHFFFAOYSA-N 359.448 5.534 0 1 FKAF O=c1c(CNc2ccccc2)coc2cccc(OCC3CCCCC3)c12 53229688 AWWNUCCEVHIHDG-UHFFFAOYSA-N 363.457 5.364 0 1 FKAF CCCCOc1cc(NC(=O)NCC[C@@H](C)c2ccccc2)ccc1OC 95562283 ZMYSXYCLZGPNPX-QGZVFWFLSA-N 370.493 5.189 0 1 FKAF CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCCCC1)N2 95587534 AFFXEPVBJJJLQC-PMOQBDJRSA-N 357.538 5.954 0 1 FKAF CCCCn1c(COc2ccc(C(=O)OCC)cc2)cc2ccccc21 103286751 KTIHCHSFWDNLKO-UHFFFAOYSA-N 351.446 5.197 0 1 FKAF CC1=C2C[C@]3(C)CC[C@@H](C(C)C)[C@H]3CC2=C(CO)C2=CC[C@@H](C)[C@H]2CC1 238763006 LTSIYRVKEJCFIW-DORZFYORSA-N 354.578 6.450 0 1 FKAF COc1cc(/C=C\c2nc3cc(C)cc(C)c3[nH]2)ccc1Br 586975499 DAEWGSOYNMQXCC-ALCCZGGFSA-N 357.251 5.121 0 1 FKAF Cc1ccc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)c(C)c1 586990826 HSLIBLBFYSHNAM-UHFFFAOYSA-N 365.432 5.744 0 1 FKAF CC(C)C[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586992206 ZPLLQCVAVGDSKG-AWEZNQCLSA-N 357.453 5.303 0 1 FKAF c1ccc(Oc2ccc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c3c2)cc1 587015787 BDLVTOHXTRCESC-SFHVURJKSA-N 363.442 5.330 0 1 FKAF CSc1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587076103 IXQWHFDCWHDUOQ-UHFFFAOYSA-N 351.862 5.667 0 1 FKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cncc(Cl)c3[nH]2)c1 587093693 QJXIEWLYDQWIKW-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(=O)[C@H](C)[C@H]3C)c1 587365319 GTVPABALYGMGCU-CHWSQXEVSA-N 357.409 5.593 0 1 FKAF CC[C@H]1CC[C@H](C)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587365935 JRFQAIZYXCILSP-HOTGVXAUSA-N 371.480 7.048 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)C(C)(C)CCC3(C)C)O2 587406189 QRTJCBATXNPPMU-NRFANRHFSA-N 363.501 5.633 0 1 FKAF C[C@]1(c2cc(F)c(F)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508977 UTAPLGXQDBWALX-HXUWFJFHSA-N 364.338 5.002 0 1 FKAF O=C1C[C@@H](c2cccc(-c3ccccn3)c2)Oc2c1ccc1c2CCCC1 587515179 LMRGKLRMLZJBLV-QHCPKHFHSA-N 355.437 5.334 0 1 FKAF CCc1cccc(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587817854 DZSJIYAGMBQWHJ-BUXKBTBVSA-N 362.286 5.083 0 1 FKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587925995 FIRMSIUAWDHSSW-GFCCVEGCSA-N 365.260 5.429 0 1 FKAF COc1ccc2c(c1)[C@@]1(CC[C@@H]1C(C)C)N(Cc1ccc(F)cc1)CC2 963305377 XNBDCZRZTKNYMP-GGAORHGYSA-N 353.481 5.154 0 1 FKAF O=C(CCC1CCN(CC2CCCCC2)CC1)c1ccc2[nH]ccc2c1 1857585620 JBJVWRHVBXWURS-UHFFFAOYSA-N 352.522 5.423 0 1 FKAF CCCCCc1cc(OC(C)=O)c2c(c1)O[C@H]1C[C@@H](C)CC=C1C2(C)C 2356454703 UMXVDHZQRJOECL-KXBFYZLASA-N 356.506 5.740 0 1 FKAF Cn1c(Nc2ccccc2)nc2cnc(Nc3ccc(F)c(Cl)c3)cc21 205214440 KTBZAGZFLAQAAA-UHFFFAOYSA-N 367.815 5.248 0 3 FKAF CCCC[C@@H]1Cc2cc(OC)ccc2-c2c(C=O)c3ccc(OC)cc3n21 13606359 DDOKDZPBBFNHTC-MRXNPFEDSA-N 363.457 5.425 0 1 FKAF CC(C)CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 26388111 UIRGBYWISWGYEM-FHVMYUNFSA-N 373.581 5.081 0 1 FKAF CCCCCCSC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28098244 YHSIOGBAMKKEDO-YXEGLXKCSA-N 354.556 5.295 0 1 FKAF O=C(CCc1ccc(-c2ccccc2)cc1)c1nc(-c2ccccn2)co1 29125242 XNQWFXACFHOZAV-UHFFFAOYSA-N 354.409 5.219 0 1 FKAF C[C@@H](Nc1ncc(-c2cccc(-c3ccccc3)c2)n1C)c1ccccc1 29335428 PCSVCVQDQPXONF-GOSISDBHSA-N 353.469 5.927 0 1 FKAF Cc1cc(O)c([C@]2(C)CC/C(=C/Br)[C@@H]2C)cc1Br 34256208 DVSNCQPMSPUOAI-KGNMDHSFSA-N 374.116 5.430 0 1 FKAF CC1(C)CCC(C)(C)c2cc([C@@H]3O[C@@H]3c3ccc(C(=O)O)cc3)ccc21 40802064 RQPFFBDHHKQKFQ-UXHICEINSA-N 350.458 5.546 0 1 FKAF Nc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1 40943275 JFVMZMBFRZPOFF-UHFFFAOYSA-N 368.267 5.641 0 1 FKAF in-vitro CC(C)NCc1cccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1 45202500 XNVVVCWHNQBIAY-UHFFFAOYSA-N 359.448 5.534 0 1 FKAF CC(C)Sc1nnc(COc2ccccc2)n1-c1cccc(Cl)c1 95594962 IENJAGMJDZQSEK-UHFFFAOYSA-N 359.882 5.000 0 1 FKAF Clc1ccc([C@@H](Nc2ccccc2)c2ccc(-c3ccncc3)cc2)cc1 103265752 WJUYWDJDEYWDBB-DEOSSOPVSA-N 370.883 6.604 0 1 FKAF CC1(C)CC2=Nc3nc(-c4ccccc4)nn3[C@H](c3ccccc3)C2=C(O)C1 104036578 TVVPSCQDIWZGOK-HXUWFJFHSA-N 370.456 5.253 0 1 FKAF O=C1NC(=O)/C(=C/c2ccc(OCCCCC3CCCCC3)cc2)S1 115795040 MNIDHEPIDCOHPS-JXAWBTAJSA-N 359.491 5.140 0 1 FKAF CCC/C=C(\C)CSC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169344120 OISADBQASBHBLJ-VIUTYPBXSA-N 366.567 5.461 0 1 FKAF COc1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2cc1C 586879199 LUMCTGNSPKSLMM-UHFFFAOYSA-N 372.424 5.221 0 1 FKAF Cc1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1Br 587024228 ZOGNATIFKBNXCU-UHFFFAOYSA-N 370.275 5.424 0 1 FKAF Cc1ccc2c3c(cc(C[C@@H]4CCCCC4=O)nc13)-c1ccccc1C2=O 587099971 BQZGWALCWOLURI-HNNXBMFYSA-N 355.437 5.056 0 1 FKAF Cc1c(-c2cccc(Cl)c2)nc2cccc3c2c1-c1ccccc1C3=O 587103158 FMONBYBQCOGSEF-UHFFFAOYSA-N 355.824 6.075 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(F)c(Cl)c3)nc3cccc1c23 587103173 GEWLUIOWQIUZCW-UHFFFAOYSA-N 359.787 5.906 0 1 FKAF CCOC(=O)c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587152672 CILUXEUYLKZYBT-UHFFFAOYSA-N 360.388 5.213 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587162984 YSRLIFJVZVDWCH-OALUTQOASA-N 358.416 5.552 0 1 FKAF O=C1c2ccccc2-c2cc([C@H]3C[C@@H]3c3cccs3)nc3cccc1c23 587208763 ZCMKGXOATPUBTC-IRXDYDNUSA-N 353.446 5.779 0 1 FKAF Cc1c(C)c2ccc(O[C@H](C)c3cc4c5c(cccc5n3)CC4)cc2oc1=O 587216586 GDQAHYJYHYOAFM-OAHLLOKOSA-N 371.436 5.197 0 1 FKAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(C1CCCCC1)[C@@H](C2)C3=O 587446430 WSBMXBYSHRGTAB-GBXCKJPGSA-N 362.469 5.227 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)s1)(C(C)C)CC2=O 587495353 QHCVTGSJVFFUEX-LJQANCHMSA-N 364.894 5.576 0 1 FKAF Cc1cc(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587509728 WQQOXKSFRMCSPX-GOSISDBHSA-N 361.268 5.887 0 1 FKAF CC(C)(C)c1[nH]c2cc(Cl)c(F)cc2c1OC(=O)c1ccccc1F 587629284 IKAOBFCCULEPKX-UHFFFAOYSA-N 363.791 5.616 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(F)c2)N1 587726565 XQYDVHGHWBIIAV-ZKANADHPSA-N 372.640 5.004 0 1 FKAF C(=C/c1ccccc1)\COCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587781930 ZHDDZTMOHDCQGX-KPKJPENVSA-N 370.452 5.372 0 1 FKAF Fc1ccc2c(c1)-c1cc(n(-c3ccc(-c4ccc(Cl)cc4)nn3)n1)O2 587874404 YYSNFAFBMDWSLU-UHFFFAOYSA-N 364.767 4.895 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cc(F)c(C)cc4[nH]3)cc2)cc1OC 587929132 RKJKKSZFDIHXIQ-UHFFFAOYSA-N 362.404 5.362 0 1 FKAF CC[C@]1(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)CC(=O)c2ccccc2C1 587958965 AKJDJEMKKYEDLV-HXUWFJFHSA-N 374.818 5.263 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3Cl)n2)c1 653745693 MDFWGIBJFMBJLA-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@@H]2[C@H]1c1ccc(Cl)cc1 653887540 OJVYJIIXANIOCP-MDNUFGMLSA-N 374.871 5.481 0 1 FKAF Clc1cccc2c1CN(CCCCc1nc3ccccc3s1)CC2 1772602965 FKFXRRIOERUHEP-UHFFFAOYSA-N 356.922 5.331 0 1 FKAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1 1911577860 JORWQECTVIFNQT-RUZDIDTESA-N 369.279 5.083 0 1 FKAF CC(C)=CCCC(C)=CCc1cc(C=Cc2cc(O)cc(O)c2)ccc1O 2356605519 JKTKEYDAQOHUFQ-UHFFFAOYSA-N 364.485 6.209 0 1 FKAF CC(C)CCCCCCCCCCCC(=O)N1CCC[C@@H]1c1cccnc1 2356810077 AWCCLYKTCVGTAF-HSZRJFAPSA-N 372.597 6.692 0 1 FKAF C[C@@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 13119887 XXNRZZXPXAFYRJ-HVVFZDMJSA-N 357.497 5.328 0 1 FKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc([C@H](C)[C@@H](C)C3CCCC3)cc1OC2(C)C 26674060 USDMFBBEDJJVQK-DEPWHIHDSA-N 368.561 6.933 0 1 FKAF COc1cc(/C(C)=C/C=C/C=C/C=C/c2[nH]ccc2Cl)oc(=O)c1C 28637660 TUFFAFAPFQNIRB-NBWHIMRISA-N 357.837 5.167 0 1 FKAF CCOP(=O)(Cc1ccc(-c2nc3ccccc3s2)s1)OCC 29326491 CZBOCFPJOMORQA-UHFFFAOYSA-N 367.432 5.791 0 1 FKAF Fc1ccc(C[C@@H](Cc2ccc(-c3ccccc3)cc2)n2ccnc2)c(F)c1 40423065 NEVBJFRXLKMRDJ-HSZRJFAPSA-N 374.434 5.855 0 1 FKAF Clc1ccc2c(NCCC[C@H]3CCN4CCCC[C@@H]4C3)ccnc2c1 58541188 HPBGMVCMLJCYKE-FUHWJXTLSA-N 357.929 5.345 0 1 FKAF Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccc(Cl)cc2)C3)c1C 73157004 SCLZARPWTQGMBC-UHFFFAOYSA-N 373.884 5.137 0 1 FKAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc2cn[nH]c12 73385867 YFCQYLGJCVDONP-UHFFFAOYSA-N 365.440 5.040 0 1 FKAF COc1nnc(C)c(-c2ccc(Cl)cc2)c1-c1c(F)cc(F)cc1F 84617138 JRZQJZXPKHPVNI-UHFFFAOYSA-N 364.754 5.198 0 1 FKAF O=C(Nc1ccc(-c2nccc3c2[nH]c2ccccc23)cc1)c1ccccc1 84669879 BPUPPSIVOSBZAI-UHFFFAOYSA-N 363.420 5.635 0 1 FKAF CCCCC[C@H](O)/C=C/C=C/CC1(CCCCCC(=O)O)CCCC1 85491019 UTKDYHXVWRJHJE-KNFSJDOFSA-N 350.543 6.026 0 1 FKAF biogenic,in-vitro CC1=C2C[C@]3(CN4C[C@@]45CC[C@H](CCCO)C5)CC[C@@H](C)[C@@]2(CC1)C3(C)C 85548269 WGPUEWMIWBAADN-SBMSYECRSA-N 371.609 5.556 0 1 FKAF biogenic,in-vitro CCCC[C@H](COc1ccc(C(=O)OCC)cc1)Oc1ccc(C)cc1 90427234 FOWOENOZRFMQMY-OAQYLSRUSA-N 356.462 5.188 0 1 FKAF C=Cc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 113654889 PANSYNBNNASHEW-UHFFFAOYSA-N 365.480 5.649 0 1 FKAF COc1cc(C/C=C(\C)CC[C@@]2(C)C(C)=CCC[C@H]2C)c(O)c(OC)c1 140101652 WFPNAXCDJWECFJ-ASFLOWLISA-N 358.522 6.061 0 1 FKAF CCOc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1 144463180 RKVWTMDJAWUGKH-UHFFFAOYSA-N 370.408 5.061 0 1 FKAF Cc1cccc(C)c1-c1cccc(COc2ncc(CCC(=O)O)s2)c1 169349548 UAJDBHHVDCSZCC-UHFFFAOYSA-N 367.470 5.023 0 1 FKAF CCCC1(c2nc3c(Br)ccc(Br)c3[nH]2)CCC1 586877757 NTICWERLQIYLKP-UHFFFAOYSA-N 372.104 5.310 0 1 FKAF COc1cc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2cc1F 586879589 UPVTXGQJDSWSGL-UHFFFAOYSA-N 374.415 5.225 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@H]4c1ccc(F)cc1)-c1ccccc1C2=O 586996788 SHYHSPXPVVTNIG-IBGZPJMESA-N 365.407 5.582 0 1 FKAF FC(F)(F)Oc1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587086223 XTJDKZBMPWYCQY-UHFFFAOYSA-N 363.726 5.330 0 1 FKAF Cc1ccc2c3c(cc([C@H]4CC5CCC4CC5)nc13)-c1ccccc1C2=O 587099820 VAZZRRXVMGEMND-PMTKGXAQSA-N 353.465 6.048 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587113490 LAMACJCFKHRAFD-QMMMGPOBSA-N 374.193 5.630 0 1 FKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(F)c(F)cc3[nH]2)cc1F 587148981 FNWCCGRBOKVBGC-IBGZPJMESA-N 372.321 5.288 0 1 FKAF CC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCCCC1 587352016 ICXKAFNCVBAKAU-NZQKXSOJSA-N 368.448 5.619 0 1 FKAF CCC[C@]1([C@H](CC)Sc2ccoc2C)CC(=O)c2cc(C)cc(N)c2O1 587407822 CJNXMXCGHYYXIQ-PZJWPPBQSA-N 373.518 5.554 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(O[C@H](C)CC)c1)CC2=O 587478387 ARUACPIZWFFMIS-SPLOXXLWSA-N 354.446 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(C(C)(C)C)c1)CC2=O 587482090 RQVHSAWJFYPZOD-OAQYLSRUSA-N 368.473 5.357 0 1 FKAF Cc1ccc(OCC2CC2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587520766 BEGCXRRDOIRRDB-HSZRJFAPSA-N 362.469 5.369 0 1 FKAF CCC[C@@]1([C@@H]2CCOC(C)(C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 587534916 GXEMPJLUSAMPJS-HXOBKFHXSA-N 356.506 5.275 0 1 FKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3F)c2c1 587650233 QAPLNMJMBZQXEL-UHFFFAOYSA-N 365.429 5.045 0 1 FKAF Cc1c(Cl)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587691381 FGUNBZNDZXUDBE-HUTHGQBESA-N 368.677 5.174 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1coc(-c2cccc(Cl)c2)n1 963111195 NHQDXLOURFJXGY-PXNSSMCTSA-N 368.839 5.244 0 1 FKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@]31NCCc2c(Cl)cc(Cl)cc21 963120488 IONANFGAGVEBFZ-OAQYLSRUSA-N 371.311 5.427 0 1 FKAF CCC(C)(C)c1ccc(OCCCCCCCN2CCCCCC2)cc1 1857537427 VYNGDPLRECMOSF-UHFFFAOYSA-N 359.598 6.580 0 1 FKAF Clc1ccc(CCN=c2[nH]nc(-c3ccccc3)c3ccccc23)cc1 1857546182 MPLBJAWAWSEHAY-UHFFFAOYSA-N 359.860 5.027 0 1 FKAF CC(=O)Nc1cccc(OC(=O)/C=C/c2cccc(Oc3ccccc3)c2)c1 1857551512 JHWUQSJYZBIYMR-BUHFOSPRSA-N 373.408 5.056 0 1 FKAF CCC=CCC=CCC=CC=C[C@H](O)CC=CCCCCCC(=O)OCC 2356769497 GQFKRRSHKDNBDS-QHCPKHFHSA-N 374.565 6.222 0 1 FKAF CCCCN(CC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cccc12 1996666 YLBFOSKJJOYRAY-UHFFFAOYSA-N 360.545 6.762 0 1 FKAF CN(C)Cc1c(-c2ccccc2)n2c3c(cccc13)CCc1ccccc1-2 2001846 LOCRWEKRIBPWKR-UHFFFAOYSA-N 352.481 5.458 0 1 FKAF C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43CCSCF)[C@H]1CCC2=O 14947090 PHQXDOFMEVPXKC-SGLNWRHMSA-N 362.510 5.038 0 1 FKAF CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(C(C)(C)C)cc1 26578978 HKKQIJXFSLFFQQ-UHFFFAOYSA-N 352.522 6.875 0 1 FKAF CC(=O)Oc1ccc(O)c(C[C@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@@]32C)c1O 40867334 LISRCGYCVNHXKP-KPDCDPCYSA-N 372.505 5.364 0 1 FKAF CCCOc1ccc(-c2nc(CN[C@H]3C[C@@H](C)CC(C)(C)C3)co2)cc1 72184703 NWWLEGSOAAAZMQ-AEFFLSMTSA-N 356.510 5.435 0 1 FKAF COc1cc2cc(-c3cccc(-c4ccccc4)c3)[n+](C)c(C)c2cc1OC 95562508 KOFSQFZZDFVGAO-UHFFFAOYSA-N 370.472 5.324 0 1 FKAF CCCCCc1cc(OC)c2cc(Cc3ccccc3Cl)c(=O)oc2c1 95577460 PSWHWCGBEPXOFQ-UHFFFAOYSA-N 370.876 5.779 0 1 FKAF CCc1ccc2c(Sc3cc(Cl)cc(Cl)c3)c(C(=O)O)[nH]c2c1 95582364 JJMDJVIEEWWBMB-UHFFFAOYSA-N 366.269 5.887 0 1 FKAF CCCC[C@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197805 SBTMBSWHVJFOKF-JTQLQIEISA-N 359.417 5.046 0 1 FKAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4CCOCC4)cc3)cc12 205306133 JJENQAOXTYKDLN-UHFFFAOYSA-N 355.821 5.081 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CC[C@H](C)C(=O)NCCF 231934525 HMMNZALKMVCHHZ-XERWTWMGSA-N 363.561 6.464 0 1 FKAF C[C@H]1CC[C@H](NCc2ccc3c(c2)Cc2c(-c4ccccc4)n[nH]c2-3)CC1 261133529 LQDUMEQZHKIAQN-UKIBZPOASA-N 357.501 5.316 0 1 FKAF Cc1cc(C)cc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)c1 473135436 IGNWLZAEYVNZHK-VAWYXSNFSA-N 353.421 5.274 0 1 FKAF O=C(c1ccc(C(F)(F)F)c(O)c1)c1ccc(-c2cccc(O)c2)s1 473151538 QCTTVUYBDMLEGI-UHFFFAOYSA-N 364.344 5.076 0 1 FKAF O=C1c2ccccc2-c2cc(-c3sccc3Cl)nc3ccc(O)c1c23 586994426 ROVRBGUGTUHUIY-UHFFFAOYSA-N 363.825 5.534 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](C(F)F)CC4)-c1ccccc1C2=O 586995114 INZSFXGYFXAADT-CYBMUJFWSA-N 363.407 5.515 0 1 FKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1N 586996012 LSDOQNPRNLDGJS-UHFFFAOYSA-N 366.420 5.012 0 1 FKAF Cc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1C 587069475 BRHKLXVVWNTQCF-UHFFFAOYSA-N 368.267 6.216 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(Cl)ccnc4[nH]3)c(Cl)c2)cc1F 587146026 VRTIKGPCQCDJHG-UHFFFAOYSA-N 372.230 6.046 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(C)(C)CC3)c1 587366991 PITYDAIAAPJDID-UHFFFAOYSA-N 357.453 6.172 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@@H]3C(=O)O)c1 587367389 WNKRBJHADVBIHT-INIZCTEOSA-N 373.408 5.161 0 1 FKAF Cc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(F)F 587503532 HIJRDUJUXJWAIQ-GOSISDBHSA-N 358.384 5.182 0 1 FKAF CCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587508824 UAUVRPYUFVSWJM-NRFANRHFSA-N 370.876 5.714 0 1 FKAF O=C1C[C@H](c2cccc(OC3CCCC3)c2)Oc2c1ccc1c2CCCC1 587526640 WBWSFBZFWKFFPB-HSZRJFAPSA-N 362.469 5.593 0 1 FKAF COc1cc2ccccc2cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527545 WNKOCWVTELRZLI-HSZRJFAPSA-N 358.437 5.434 0 1 FKAF O=C1C[C@@H](c2csc(-c3cccs3)n2)Oc2c1ccc1c2CCCC1 587535583 MGEWIJPEQZQROP-KRWDZBQOSA-N 367.495 5.457 0 1 FKAF COc1cccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C)cc(Cl)cc23)c1 587623941 CFRRGTGZUBJXLU-UHFFFAOYSA-N 367.754 5.388 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3OCC(=O)N(C)C)c(C)c2c1 587643495 UUOXMQWLVKXGPV-HNNXBMFYSA-N 364.489 5.124 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)OC)c2c1 587643603 VVKOMMPHLTYLNZ-OAHLLOKOSA-N 367.464 5.983 0 1 FKAF CCOC(=O)c1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)c1ccc(F)cc1 587643965 ZIDJOAQUUFLTCF-ZDUSSCGKSA-N 367.420 5.228 0 1 FKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc3ncccc3c2[nH]1 587781835 DLLRNWOEWXAATI-UHFFFAOYSA-N 367.408 5.063 0 1 FKAF CCCCCC[C@]1(CCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812647 KCQMDQTVNQXECA-LIRRHRJNSA-N 370.350 6.088 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cnc2ccccc2c1 587862908 LCCQZXXEGZJVBY-UHFFFAOYSA-N 369.346 5.115 0 1 FKAF COc1ccc2cc(-c3nc(-c4cccc(Cl)c4)cs3)ccc2c1 587920034 APLGQFOPIFZDII-UHFFFAOYSA-N 351.858 6.292 0 1 FKAF COc1ccc(C[C@@H](C)c2nc3cccc(C(C)(C)C)c3[nH]2)cc1OC 587926976 QKTNMGRNBSAMQF-CQSZACIVSA-N 352.478 5.224 0 1 FKAF COc1cccc([C@H](C)Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587929896 DGBVZSWCVKEAGX-MRXNPFEDSA-N 374.509 6.069 0 1 FKAF CC(C)Oc1ccc(OC(C)C)n1-c1cc(F)c(Br)cc1F 587943635 LRZHWIKEYXAQAY-UHFFFAOYSA-N 374.225 5.092 0 1 FKAF Brc1ccccc1-c1cc(-c2ccc(-n3cccc3)cc2)on1 653787454 TZQCUOZJTZQDAK-UHFFFAOYSA-N 365.230 5.562 0 1 FKAF Fc1c([C@@H]2c3ccsc3CCN2Cc2ccco2)ccc2[nH]ccc12 962707018 HIPJIAFUSWXUCB-FQEVSTJZSA-N 352.434 5.109 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(F)c(F)c2)(C(C)(C)C)N1 962948894 ORIGCWKAGLIPEI-NPMXOYFQSA-N 368.471 5.660 0 1 FKAF CCOC(=O)c1nc(C2CCCCC2)sc1-c1cnc2ccccc2c1 1857552199 NFIRFMALYUWPAS-UHFFFAOYSA-N 366.486 5.583 0 1 FKAF CCOC(=O)CCCCOc1ccc(-c2cc(=S)ss2)cc1 1857583492 SOAKFTPLZCLMRX-UHFFFAOYSA-N 354.518 5.318 0 1 FKAF OCc1ccc(-c2cncc(OCc3ccc(Cl)cc3Cl)c2)s1 1857775155 BIRPCZUHXUBIML-UHFFFAOYSA-N 366.269 5.188 0 1 FKAF CC1=CCC[C@]2(C)CC[C@H](C(C)C)[C@H](OC(=O)C=Cc3ccccc3)[C@@H]12 2356391011 HWWJRNPFZYGYNM-CAUSLRQDSA-N 352.518 6.040 0 1 FKAF Clc1ccc2[nH]cc(SC3CCN(Cc4ccccc4)CC3)c2c1 837170 ISBIZIUDYWWZAP-UHFFFAOYSA-N 356.922 5.578 0 1 FKAF CN1[C@H]2CC[C@@H]1CC(=CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 1660248 OCVGKOKAQNBCSV-SZPZYZBQSA-N 369.455 5.254 0 1 FKAF CCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccccc1)N2 13140035 NSMKWGGRWAFJDI-PFMQYRJWSA-N 360.501 5.123 0 1 FKAF O=C(NCCN(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1 13451926 YWFQDOZMYJEIKU-UHFFFAOYSA-N 365.864 5.300 0 1 FKAF CC(C)CCCCCCCC[C@@H](O)CC(=O)N1CCC[C@H]1c1cccnc1 14684439 SHZBFDWXFJTSEI-YADHBBJMSA-N 374.569 5.273 0 1 FKAF biogenic O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1ccccc1Cl 26569706 DYTZQGFDLBNWKB-OAHLLOKOSA-N 368.839 5.140 0 1 FKAF c1ccc2c(c1)[C@H]1CC(c3ccsc3)(c3ccsc3)[C@@H]2c2cccc[n+]21 26648583 HQINWGGQGATOMX-YADHBBJMSA-N 372.538 5.522 0 1 FKAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2c2cc(-c4ccccc4)no2)N3C)cc1 36271014 SSEYJTZXHQMBJU-ZBJYJBBSSA-N 358.485 5.384 0 1 FKAF OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12 40429227 CNNRPXDUHKLPGW-QIDMFYOTSA-N 367.876 5.101 0 1 FKAF Brc1cccc2c3c([nH]c12)[C@@H](NCc1ccccc1)CCC3 40953402 UXECCMIZPCXQJO-KRWDZBQOSA-N 355.279 5.098 0 1 FKAF Nc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 40979507 UYNDRMJNIHMIPT-UHFFFAOYSA-N 350.032 5.135 0 1 FKAF CC(C)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)c1 73165549 HETKVELCRRUIIB-UHFFFAOYSA-N 374.362 5.736 0 1 FKAF FC(F)(F)c1cccc(Nc2cc3[nH]c(-c4ccccn4)cc3cn2)c1 74372921 XTJJBUMUHPCNSY-UHFFFAOYSA-N 354.335 5.387 0 1 FKAF NC1(c2ccc(-c3ncc4ccccc4c3-c3ccccc3)cc2)CCC1 84709021 UIKDMTZAMLGVGD-UHFFFAOYSA-N 350.465 5.907 0 1 FKAF C/C1=C/CC/C(C)=C/CC(C)(C)C[C@@H](OC(=O)/C=C/c2ccc(O)cc2)C1 169304590 SPBVSJHMHZCQRT-DMZVLIBDSA-N 368.517 6.200 0 1 FKAF CCCCCC(=O)CC[C@]1(C)[C@H]2Cc3ccc(OC)cc3[C@@]1(C)CCN2C 169321840 DJINLSPFQXMKFQ-WXFUMESZSA-N 371.565 5.149 0 1 FKAF CC(C)[C@H](Nc1ncnc2sc(Br)cc12)c1ccccc1 299867399 XXRQOZQNYIXNDV-AWEZNQCLSA-N 362.296 5.263 0 1 FKAF Cc1cc(F)c2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)[nH]c2c1 586879261 NGPAROSSTOFEFJ-UHFFFAOYSA-N 360.388 5.351 0 1 FKAF Brc1cc2[nH]c(C3CCC3)nc2cc1OCc1ccccc1 586885100 XAWUTSGFPLPPFJ-UHFFFAOYSA-N 357.251 5.172 0 1 FKAF Fc1cnc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 587015847 VEZBERCZJCZWDM-UHFFFAOYSA-N 365.220 5.194 0 1 FKAF COc1cccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c12 587050550 RYSGUCMQFDHKER-UHFFFAOYSA-N 362.816 5.371 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(=N)[nH]cc2[nH]1 587072204 OSUIWBRGOAMECJ-QPNMNJERSA-N 373.287 5.043 0 1 FKAF Cc1ccc2c3c(cc(C4C[C@@H](C)C[C@H](C)C4)nc13)-c1ccccc1C2=O 587099725 UFIAKLHCPAJEGX-GJZGRUSLSA-N 355.481 6.294 0 1 FKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1O 587101240 LDAVPUZXSACZRJ-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF CCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1[C@@H](C)CC 587364471 ARNZIEJYSYQYHB-HNNXBMFYSA-N 359.469 6.733 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(c1cc(F)c(F)c(F)c1)CC2=O 587467235 RTCPBTPYFCIGBI-FQEVSTJZSA-N 364.363 5.033 0 1 FKAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCCc3ccccc31)CC2=O 587476788 BICOWTNYBUUOPX-VGSWGCGISA-N 350.458 5.189 0 1 FKAF CCOc1ccc(C(C)C)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521999 FQQOLFCWBOOIOQ-HSZRJFAPSA-N 364.485 5.794 0 1 FKAF CC(C)[C@H](c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602093 IURSHLCUELJNMY-ZFGGDYGUSA-N 374.436 5.162 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)Nc3ccccc3)c(C(F)(F)F)[nH]c12 587624744 UBCOLBZFOJYYEL-UHFFFAOYSA-N 352.743 5.401 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cnn(CC)c3)c(C(=O)C(F)(F)F)c2c1 587639782 CPLYXWSTWWETSB-NSHDSACASA-N 363.383 5.310 0 1 FKAF CCCC[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704968 KDZMKKKLAPNJPJ-XPTSAGLGSA-N 368.212 5.070 0 1 FKAF CCOc1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1C 587778520 OPAYLYKMXAHSCY-UHFFFAOYSA-N 354.759 5.609 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)cc1O 587786108 IAHUFYJCNMSUMJ-UHFFFAOYSA-N 368.795 5.404 0 1 FKAF CC[C@@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814885 WNAODQYZZFOTMJ-DJJJIMSYSA-N 362.286 5.084 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CC1CCCC1 587864887 SDCSAZYLPYUOQX-UHFFFAOYSA-N 366.383 5.188 0 1 FKAF Cc1c(Br)cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1C 587961940 VVNOKOSQBLOGEP-GJZGRUSLSA-N 355.279 5.288 0 1 FKAF COc1cccc(-c2cc3c(Nc4ccc(N(C)C)cc4)nccc3[nH]2)c1 618010185 RWUPAPXGCYECNI-UHFFFAOYSA-N 358.445 5.048 0 1 FKAF CC[C@H](O)C(=O)C[C@@H](C)CCCC(C)=CC=C[C@]1(C)CCCc2ccoc21 2356539922 GHGXPVQCIKVWSW-ZCVJKFOLSA-N 372.549 5.913 0 1 FKAF CC(=O)OCC(=CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@@H](C)CCC[C@H]21)CC(=O)O 2356739353 TUFNPGGUGDWLPI-CXKJFKPESA-N 364.526 5.219 0 1 FKAF CC(=CCCC1=CCOC1=O)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356767964 JNEMQZQEAUFPOT-UHFFFAOYSA-N 370.577 7.229 0 1 FKAF CC(C)c1c(Cl)cc2c(c1Cl)CC[C@@H]1[C@](C)(C(=O)O)CCC[C@@]21C 13302842 RKQWIQSTFSBVMQ-RYGJVYDSSA-N 369.332 6.212 0 1 FKAF biogenic Fc1ccc(-c2[nH]c(SCc3ccccc3)nc2-c2ccncc2)cc1 13491680 LJOYKNIJQZYHQG-UHFFFAOYSA-N 361.445 5.570 0 1 FKAF C/C=C/CO[C@@H](C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21 14968796 JFEUWHWUEKXKKU-LXXRFIIISA-N 363.501 5.931 0 1 FKAF CC(C)CCc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1 40953560 NVBJUBKJIZEHKY-UHFFFAOYSA-N 362.473 5.223 0 1 FKAF COc1ccc2c(CCN3CC=C(c4c[nH]c5ccccc45)CC3)coc2c1 45384133 UNTABKGIJWYXRN-UHFFFAOYSA-N 372.468 5.255 0 1 FKAF Cc1ccc(N[C@H](C(=O)CCc2ccncc2)c2ccccc2)c(Cl)c1 52594954 RAUBPCDTTLPMGO-QFIPXVFZSA-N 364.876 5.399 0 1 FKAF CCCc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cc1 73169018 XQWRBQYKGZEHQW-UHFFFAOYSA-N 374.362 5.565 0 1 FKAF CCc1cnc(-c2cnc(N3CCC(C)CC3)nc2-c2ccccc2)s1 82163068 CSTIXQNKPLQAQD-UHFFFAOYSA-N 364.518 5.066 0 1 FKAF CCCCCn1c(C2CC2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185300 RDMUEGKHOLJPKN-UHFFFAOYSA-N 369.900 5.159 0 1 FKAF OC1=C2C(=Nc3ccc4ncccc4c3[C@@H]2c2ccc3c(c2)OCO3)CCC1 104108715 PEJDWNWRDHPRON-NRFANRHFSA-N 370.408 5.178 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)C[C@@]43C)[C@@H]1CC=C2c1cncc(Cl)c1 169268414 SCYWSHPGQNUSDS-CUJIWNPESA-N 371.952 5.742 0 1 FKAF CN1[C@H]2CC[C@H]1[C@H](c1cc(C(C)(C)C)no1)[C@@H](c1ccc(Cl)cc1)C2 201535522 MCXVQEGECPBTDZ-PFRQMTDMSA-N 358.913 5.359 0 1 FKAF Cc1ccc(-c2c([C@@H](OC(C)(C)C)C(=O)O)c(C)nc3ccccc23)cc1 207617856 ORZNQMRZCHOXIM-OAQYLSRUSA-N 363.457 5.459 0 1 FKAF Fc1c(Cl)cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1F 587084583 CWCFACDDYHVJEG-UHFFFAOYSA-N 350.155 5.363 0 1 FKAF CC(C)Cc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587205782 FJUNFYHDCSYDJZ-UHFFFAOYSA-N 363.460 6.312 0 1 FKAF CCC[C@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587364679 AGKKVOGXACYINZ-HNNXBMFYSA-N 357.453 6.487 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Oc3ccc(F)cc3)c1)O2 587385499 SVXGGMYMDIFYLR-OAQYLSRUSA-N 363.388 5.215 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ccco1)CC2=O 587479771 JCVIIWVEFSQCAL-HSZRJFAPSA-N 362.425 5.155 0 1 FKAF O=C1C[C@@H](c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587501673 JLRNTYVSECDLQE-SFHVURJKSA-N 357.247 5.034 0 1 FKAF O=C1C[C@](c2c[nH]c3ccccc23)(C2CC2)Oc2c1ccc1c2CCCC1 587522012 DKXWIXVMMMKBIQ-XMMPIXPASA-N 357.453 5.317 0 1 FKAF CCCc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC 587523629 LLIFVKCRRXWRMU-HSZRJFAPSA-N 364.485 5.623 0 1 FKAF CCC[C@]1([C@@H]2CCOC(C)(C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 587534918 GXEMPJLUSAMPJS-UZUQRXQVSA-N 356.506 5.275 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(C)(C)C)CC2)N1 587818105 PWWYINDJRHYDGH-RMQJPMRHSA-N 368.334 5.554 0 1 FKAF CC1=CC[C@H](C[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587821995 ZDKVXCUAPQUFNM-BJJXKVORSA-N 366.318 5.546 0 1 FKAF Cc1ccc2c(ccc3nc([C@H](Cc4ccccc4)c4ccccc4)[nH]c32)n1 587954953 FSOORZDLONUQJT-OAQYLSRUSA-N 363.464 5.794 0 1 FKAF Clc1cccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)c1 653710249 GMWSOXMJHZSENA-FNORWQNLSA-N 367.655 5.384 0 1 FKAF CCCC[C@@H]1CCCC[C@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962693411 BORVGPJWWMBEEX-JBYIUTFZSA-N 361.570 5.765 0 1 FKAF Oc1ccccc1-c1cc(-c2ccc(Cl)cc2)c2oc3ccccc3c2n1 1772574169 MAKWJAKWSYYIEN-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF COc1cc(CC=C(C)CC[C@]2(C)C(C)=CCC[C@@H]2C)c(O)c(OC)c1 2356391632 WFPNAXCDJWECFJ-FDDCHVKYSA-N 358.522 6.061 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@](C)(O3)[C@H]2[C@@H]1OC(=O)C=Cc1ccccc1 2356512329 RFPFUPCCKCHQLQ-GUPOWHDASA-N 368.517 5.251 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CC[C@@H](O)C(=O)c1ccc(O)cc1O 2356518270 LCOXFGCEXKCJHC-OAQYLSRUSA-N 372.505 5.451 0 1 FKAF Cc1nc(-c2ccccc2)sc1[C@]1(C)CC(c2cccc(F)c2)=NO1 12726883 WLQWNYOHCDKKBC-FQEVSTJZSA-N 352.434 5.297 0 3 FKAF Clc1ccc([C@H](c2c[nH]cc2-c2ccccc2)n2ccnc2)cc1Cl 5974735 QDEDFXAQPPQYEW-HXUWFJFHSA-N 368.267 5.823 0 1 FKAF COc1cc(NCCCCCCN(C(C)C)C(C)C)c2nccc(C)c2c1 28099857 IGDSPTWJFUNYSV-UHFFFAOYSA-N 371.569 5.643 0 1 FKAF CC/C=C/CCSC[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 36190224 YDJGESKTURUXSO-IISDMVMISA-N 352.540 5.071 0 1 FKAF CCC[C@H](C)C(=O)[C@@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40424716 NRKZBOVABVDFTP-AOMKIAJQSA-N 373.452 5.653 0 1 FKAF O=C1C[C@@H](N(Cc2ccccc2)[C@H]2CCc3ccccc3C2)c2ccccc21 45300234 AAEFZAOPNBNCRL-WIOPSUGQSA-N 367.492 5.374 0 1 FKAF CN1CCN([C@H]2C[C@H](c3ccsc3)c3ccc(Cl)cc32)CC1(C)C 59940975 JUUYXOLEDYTRCB-MJGOQNOKSA-N 360.954 5.004 0 1 FKAF CC(C)[C@H]1C(O)=C(c2ccc3ccccc3c2)C(=O)N1CC1CCCCC1 101774344 YOLGLKVVEBTMHH-QFIPXVFZSA-N 363.501 5.556 0 1 FKAF O=C(Nc1nccc2nc(-c3c(Cl)cccc3Cl)sc12)C1CC1 114602505 OMYNARKMWCXCMB-UHFFFAOYSA-N 364.257 5.014 0 1 FKAF Cc1c(Cl)cccc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 221096100 AQOYMSAESYIPFY-MRXNPFEDSA-N 357.862 5.379 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCC(=O)O 263620354 DIXZZUWKTKHHEG-IIFHDYRKSA-N 358.522 6.342 0 1 FKAF in-vitro FC(F)(F)c1cc(Br)c2[nH]c(-c3occ4c3CCC4)nc2c1 586905339 LLWRCNCHDOIUSK-UHFFFAOYSA-N 371.156 5.093 0 1 FKAF COc1ccc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2c1 587022491 XSDGNYTXYXOTNI-UHFFFAOYSA-N 367.499 5.296 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc5[nH]ncc5cc4[nH]3)c21 587033392 UGXHOYAPNYHCTQ-GFCCVEGCSA-N 373.485 5.398 0 1 FKAF Clc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587063151 FTNIFVLWZCFISW-UHFFFAOYSA-N 369.251 6.116 0 1 FKAF Cc1onc(-c2nc3c(C)c(F)ccc3[nH]2)c1COc1ccccc1Cl 587063796 XOZBAUYSNQRGIY-UHFFFAOYSA-N 371.799 5.206 0 1 FKAF C[C@@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1C(F)(F)F 587096995 GCSMTYFZVMCKKE-SECBINFHSA-N 358.285 5.752 0 1 FKAF O=C1c2ccccc2-c2cc([C@@H]3C[C@H]3c3ccc(F)cc3)nc3cccc1c23 587103995 LTRFNXJHHJWAGC-VQTJNVASSA-N 365.407 5.856 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]3c1cccc(Cl)c1 587104653 VYWHSNDCUARSML-SFHVURJKSA-N 367.835 5.788 0 1 FKAF COc1cccc(-c2c(CC(C)C)c(C3CC3)nc3c2oc2ccccc23)c1 587364873 FJYNZEUMDQZESD-UHFFFAOYSA-N 371.480 6.733 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3ccc(Cl)cc31)CC2=O 587463684 WTFFROWPNFOMPZ-NRFANRHFSA-N 356.849 5.195 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1C1=CCCCC1)CC2=O 587484575 STFILRIGPVERGL-WMZHIEFXSA-N 354.490 5.739 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccsc3)s1)CC2=O 587493386 GPIISNOELSYEQF-KRWDZBQOSA-N 370.495 5.841 0 1 FKAF O=C1C[C@H](c2cc(Cl)sc2Cl)Oc2c1ccc1c2CCCC1 587530593 FYAUTCKVLWBETK-CQSZACIVSA-N 353.270 5.640 0 1 FKAF O=C1C[C@@H](c2cnc(C3CCCC3)s2)Oc2c1ccc1c2CCCC1 587534190 BNMRIBSODMVFIE-SFHVURJKSA-N 353.487 5.386 0 1 FKAF CN(C)Cc1c(-c2cccc3ccccc23)[nH]c2cc(Cl)c(F)cc12 587631241 YPBFOAVHAOSUFG-UHFFFAOYSA-N 352.840 5.842 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)c(OC)c3)c(CN(C)C)c2c1 587641888 IHROJMBGTSDIPF-OAHLLOKOSA-N 366.505 5.427 0 1 FKAF C[C@@H](c1ccccc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587810992 FKEBCWYZQVHWAS-NQCMUKECSA-N 362.286 5.141 0 1 FKAF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)oc2ccccc12 587827564 KMCFICSDIFZBDE-MGNBDDOMSA-N 374.253 5.266 0 1 FKAF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 587828480 NQVTVVPOWBMRGV-MLCYQJTMSA-N 374.253 5.266 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587831359 XBHVTBWTJPSLLJ-QUHUKJRKSA-N 368.334 5.410 0 1 FKAF O=C(c1ccccc1-c1ccccc1)n1nc2cc1Oc1ccc(F)cc1-2 587873898 OYLFSYNXUPRFAE-UHFFFAOYSA-N 356.356 5.150 0 1 FKAF COc1ccc(-c2cc(-c3nc(-c4ccccc4)co3)c(C)o2)cc1OC 621429375 SIKFXZAGGQFZAY-UHFFFAOYSA-N 361.397 5.594 0 1 FKAF COc1ccc2c(c1OC)[C@](C)(CC(C)(C)C1CCCCC1)N(C)[C@@H](C)C2 962615909 AOGYAXGBOKZCFS-XDHUDOTRSA-N 373.581 5.792 0 1 FKAF Fc1ccc([C@@]2(CC(F)(F)F)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963093438 BQFXIVHPWIBKEE-HKUYNNGSSA-N 367.361 5.181 0 1 FKAF CC[C@H](C)[C@@]1(c2ccccc2OC)c2ccc(F)cc2C[C@@H]2CCCN21 963106200 JVAHUILUCWRHOY-NVVBAYIOSA-N 353.481 5.145 0 1 FKAF CCN(CC)c1ccc(NC(=O)c2c(-n3cccc3)sc(C)c2C)cc1 1857555005 IKEUVQFYOZPGJK-UHFFFAOYSA-N 367.518 5.254 0 1 FKAF Cc1ccc(N2C(=O)COc3ccc(-c4cnc5ccccc5c4)cc32)cc1 1857616148 JEFAOAVTAGGVFO-UHFFFAOYSA-N 366.420 5.267 0 1 FKAF CCOC(=O)c1c(-c2ccccc2F)oc2c1cc(O)c1ccccc12 1857769286 DJDPFANGJFITEF-UHFFFAOYSA-N 350.345 5.274 0 1 FKAF CC(=O)OC=C1CCC=C(C)C[C@H]2OC(=O)[C@H]1[C@@H]2[C@@H](C)CCC=C(C)C 2356344718 DFKHRBLZEJCJLU-LLUDDFSJSA-N 360.494 5.104 0 1 FKAF C[C@@](O)(c1ccc(F)c(F)c1)c1nc(-c2ccc(F)c(Cl)c2)cs1 61907502 RPQXRBKEZHXDNG-QGZVFWFLSA-N 369.795 5.137 0 3 FKAF Cc1ccc(CNc2nc(NCc3ccccc3)nc3ccsc23)c(C)c1 61908202 PIMXBAIKINBHOM-UHFFFAOYSA-N 374.513 5.532 0 3 FKAF C[C@@]12C=C(/C=C/c3ccc(F)cc3)[C@@](C)(C1)[C@H](c1ccc(F)cc1)CC2=O 7992340 MLERNJKRLAOFMP-BSXHNRPHSA-N 364.435 6.077 0 1 FKAF O=c1oc2c(c(O)c1C(c1ccccc1)c1ccccc1)CCCCCC2 13741446 PUBCUSNYSLHTMJ-UHFFFAOYSA-N 360.453 5.185 0 1 FKAF O=C1c2ccccc2NC1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 14721653 IZKCVKAIVRRHDC-UHFFFAOYSA-N 363.420 5.201 0 1 FKAF biogenic c1ccc(CCCCN2CCC3(CC2)OCc2c3ccc3ccccc23)cc1 26981213 UNBQZPWOJXNGJG-UHFFFAOYSA-N 371.524 5.684 0 1 FKAF CCCCCn1cc(C(=O)c2ccc3ccccc3c2)c(=O)c2ccccc21 28864828 CHTOWZXNJOSOFU-UHFFFAOYSA-N 369.464 5.576 0 1 FKAF CC1(C)C[C@@H](NC(=O)Nc2ccccc2Cl)c2cc(Cl)ccc2O1 36473090 IKNQZHCMDQZSRM-OAHLLOKOSA-N 365.260 5.417 0 1 FKAF FC(F)(F)Oc1ccc2nc(NC(=S)Nc3ccccc3)sc2c1 49072666 ZEFQXHAIKHWNJW-UHFFFAOYSA-N 369.393 5.004 0 1 FKAF COc1ccc(/C=C/[C@](C)(/C=C/c2ccc(O)cc2)CCC=C(C)C)cc1 53295712 YUBDDAFYPBAOLK-NSDNEPAYSA-N 362.513 6.880 0 1 FKAF O=C(O)c1sc(-c2ccccc2)cc1-c1conc1C1CCCCC1 58603744 ARQOQPBWYJBFHM-UHFFFAOYSA-N 353.443 5.816 0 1 FKAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 137657397 NFEGCGGXCXXPQW-RVJJPSTCSA-N 365.561 6.133 0 1 FKAF CC(=O)Oc1ccc(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@@H]32)c1O 140494850 ZTUULPCNZNZEMI-BCYJOIKISA-N 372.505 5.364 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCOC 169359409 GMUJSLQGNHXBQA-DDHXBNBWSA-N 361.570 5.895 0 1 FKAF CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(F)cc2)s1 206864738 OORCHHYZAJCTOP-HXUWFJFHSA-N 366.461 5.216 0 1 FKAF CC(=O)c1c(O)cc(O)c(CC=C(C)C)c1OC/C=C(/C)CCC=C(C)C 238760927 DNGVXKIUIXFMKL-ATVHPVEESA-N 372.505 5.881 0 1 FKAF CC1(C)[C@H]2CC[C@H](CNc3cc(Oc4cccc(Cl)c4)ncn3)[C@H]1C2 299876714 GDUAEVNDYXEOBP-JKIFEVAISA-N 357.885 5.407 0 1 FKAF O=C(O)/C=C/c1ccccc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 586879755 NFGUDDUJDCAFMO-JLHYYAGUSA-N 356.381 5.120 0 1 FKAF Cc1c(Br)cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1C 586884523 QOCRMHHTHVRVDN-WFTHSTBKSA-N 359.311 5.410 0 1 FKAF Oc1c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc2c1CCCC2 586898640 RAGMMZHXBPZZMS-UHFFFAOYSA-N 364.392 5.426 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc12 587047289 FDCIDFHPLCUGPD-UHFFFAOYSA-N 367.279 6.821 0 1 FKAF CCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1N 587104366 QRJZDTRNHWWWPD-UHFFFAOYSA-N 366.420 5.094 0 1 FKAF Cc1c(Cl)ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587132017 HCRPREJGFDZLBS-DJWKRKHSSA-N 358.697 5.391 0 1 FKAF Cc1cc(Br)c(-c2nc3ccc(OC(C)C)cc3[nH]2)cc1F 587137685 GGHQPWMANBJGAL-UHFFFAOYSA-N 363.230 5.227 0 1 FKAF Nc1cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c2ccccc2c1 587251785 MUMAPDAQGWIDNM-UHFFFAOYSA-N 363.420 5.196 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1C(F)(F)F)CC2=O 587464544 SIOVWCYMPACBMR-QGZVFWFLSA-N 350.336 5.070 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(C(C)(C)C)CC2=O 587488092 HWYVBHSEUAOPKI-HSZRJFAPSA-N 352.474 5.338 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)c(C)c(C)c(C)c1C)CC2=O 587488728 LPEMDQYULAVSAK-XMMPIXPASA-N 366.501 5.767 0 1 FKAF Cc1cc(C)cc(OCc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587564949 QYTQEVGDXRHQTL-UHFFFAOYSA-N 358.441 5.338 0 1 FKAF CCCCCC[C@@]1(CCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601198 RJCSECOTTLSFDF-NZQKXSOJSA-N 368.473 5.863 0 1 FKAF CCC[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604447 TXUXDKALUKTSPR-YOMUGFJLSA-N 352.430 5.083 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)c3ccccc3Cl)c(C(F)(F)F)[nH]c12 587624049 DHFQGVJHQLZKGQ-UHFFFAOYSA-N 372.173 6.033 0 1 FKAF Fc1ccc2[nH]c(-c3ccc(Cl)cc3)c(-c3cccnc3)c2c1Cl 587628084 HFAPQHOGIDEVFV-UHFFFAOYSA-N 357.215 6.343 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(C)(C)C(=O)O)c2c1 587642206 QTWWIMWVMQIYQN-CYBMUJFWSA-N 369.892 6.364 0 1 FKAF CC[C@@H](C)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660104 NKPXVJDVUSYELE-MRXNPFEDSA-N 372.443 5.705 0 1 FKAF Cc1cccc(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587696355 TXFQYSLILAGMJR-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4ccc5c(c4[nH]3)CCCC5)ccc2c1 587935971 XUIKCDHJESDMRK-OAHLLOKOSA-N 356.469 5.755 0 1 FKAF Oc1nc(-c2cccc(OCc3ccc(Cl)cc3)c2)nc2ccccc12 1772643250 JRBDPGQUAVNEIT-UHFFFAOYSA-N 362.816 5.235 0 1 FKAF O=C(CCC1CCCCC1)Nc1ncc(Cc2cccc3ccoc23)s1 1857769757 CACMLCFWBHZDEY-UHFFFAOYSA-N 368.502 5.779 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]3Cc4ccc(O)cc4[C@]3(C)CC[C@@H]12 2356750797 FUFDFVFIOVENBX-GGIDKDHVSA-N 366.589 6.865 0 1 FKAF c1ccc(Oc2ccc(OCc3ccc(CN4CCCCC4)cc3)cc2)cc1 13517713 UUYQGMNSXBOODB-UHFFFAOYSA-N 373.496 6.044 0 1 FKAF CC(C)C1CCC(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1 13553193 CMHHIZVWSJGTOK-UHFFFAOYSA-N 369.471 5.204 0 1 FKAF N=c1sc(-c2ccccc2)nn1-c1c(Cl)cc(Cl)cc1Cl 29416847 ZJGRFLINEVOODP-UHFFFAOYSA-N 356.665 5.040 0 1 FKAF O=C(N[C@H](c1ccccc1)[C@@H]1CCCC=C1c1ccccc1)C(F)(F)F 38142333 MIEXQAFUMNDJOH-RTBURBONSA-N 359.391 5.290 0 1 FKAF CCc1nc2c(C)cc(C)nc2n1Cc1cccc(Nc2ccccc2)c1 59856485 NPZSOFJUBLXEEM-UHFFFAOYSA-N 356.473 5.402 0 1 FKAF CCCC[C@H](C)CCCCCCCCCCCCC[C@@H]1N[C@@H](CO)[C@@H]1O 82047308 SQYWWTRORQWECC-CWBXHPNXSA-N 369.634 5.578 0 1 FKAF O=C(O)CC1=C/C(=C\c2ccc(-c3ccccc3)nc2)c2ccc(F)cc21 84724476 USJCGIPWAOFTQU-LICLKQGHSA-N 357.384 5.300 0 1 FKAF CN1[C@@H]2CC[C@@H]1CC(Oc1ccc(C(F)(F)F)cc1)(c1ccccc1)C2 101438034 RZEHFLWNOJILBD-QZTJIDSGSA-N 361.407 5.236 0 1 FKAF Cc1noc(C)c1-c1ccc2c(c1)CNC[C@@H]2c1ccc(Cl)c(Cl)c1 114515101 DYQJFQKEXMXHKX-QGZVFWFLSA-N 373.283 5.500 0 1 FKAF COc1ccc2cc(-c3nnc(-c4cc(Cl)cc(Cl)c4)o3)ccc2c1 137523244 NFXAETPILWRRTH-UHFFFAOYSA-N 371.223 5.872 0 1 FKAF Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3C(C)C)c2)c1 169341194 MUSBQWZKSXWTPU-UHFFFAOYSA-N 372.468 5.623 0 1 FKAF Cc1ccc(C(C)C)c(OCCn2c(=S)[nH]c3cccc(Cl)c32)c1 205424060 NXHSSIDNPNGNKA-UHFFFAOYSA-N 360.910 5.863 0 1 FKAF CCCCCC[C@H](C)CCCCCCCCCCc1cc(O)cc(=O)o1 263614849 WVONRTGTBIMNAN-FQEVSTJZSA-N 364.570 7.005 0 1 FKAF in-vitro COc1cc(/C=C\c2nc3cc(C)c(C)cc3[nH]2)ccc1Br 586975843 GKAYFQFOTDFIMC-ALCCZGGFSA-N 357.251 5.121 0 1 FKAF Cc1cc(F)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988780 QJHYASSLZNOFIU-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF Cc1ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2n1 587141616 XIUOESPXFRTAHB-UHFFFAOYSA-N 367.424 5.504 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cc(F)c(F)cc4[nH]3)c(Cl)c2)cc1F 587145127 INIITNXFXHFIAM-UHFFFAOYSA-N 372.777 6.276 0 1 FKAF Nc1c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)ccc2ccccc12 587253779 PQHCFYBIKVJKSM-UHFFFAOYSA-N 351.409 5.758 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OCCC(C)C)O2 587379111 SQDYAQPSOLQOQX-FQEVSTJZSA-N 373.880 5.362 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(-c3ccccc3)cc1)O2 587403860 SGHKQVZBHHPQSO-XMMPIXPASA-N 357.453 5.211 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(C)(C)C)cc(C(C)(C)C)c1)O2 587405640 MTJHQJCAKCVEGG-NRFANRHFSA-N 365.517 5.879 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3nccs3)cc1)CC2=O 587493394 FPVXTPDAZNZLQH-LJQANCHMSA-N 365.454 5.175 0 1 FKAF C[C@]1(C23CCC(CC2)CC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603017 MKHOZVVMPPJZTG-GXJMUHTOSA-N 364.441 5.083 0 1 FKAF Cc1cc(C)n(-c2c(-c3cccc(N)c3)[nH]c3cc(Cl)c(F)cc23)n1 587631534 DVTRROLSKDQZET-UHFFFAOYSA-N 354.816 5.012 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(-c3ccccc3Cl)c2c1 587639610 APBKAZRDEREZLA-LLVKDONJSA-N 351.799 7.021 0 1 FKAF CCCCC/C=C/C=C\[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587817452 CDFWRHRRMCJDLJ-GVGBKORISA-N 366.318 5.856 0 1 FKAF Cc1ccc(-c2csc(C(c3ccccc3)c3ccccc3)n2)cc1C 587920335 FUMUHCXYMOZGKS-UHFFFAOYSA-N 355.506 6.607 0 1 FKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587931761 STQJPIYFLAVOML-KPZWWZAWSA-N 364.342 5.175 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)cc1 587934829 FYAXBDIWJKHKDF-UHFFFAOYSA-N 352.796 5.698 0 1 FKAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(C(C)(C)C)c4[nH]1)(C3)C2 587951699 YFGGQBPVVOLVOI-IWENEADUSA-N 366.505 5.014 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccc(Cl)cc1F)C(C)(C)C 963234220 VAHXAHWOAPYVDZ-QMHKHESXSA-N 373.943 6.425 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccsc3)n2)c1 1857592786 LSXDDZZUOFELFM-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC=C2c3ccc4ccccc4c3CC[C@@]21C 2356711005 DBRICIKZTYJLQL-BAVCSJAKSA-N 358.569 7.680 0 1 FKAF C[C@]12CC[C@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@@H]1CCC2=O 4166586 HKUKRSLIEVXDMS-UEOMBKFZSA-N 374.480 5.331 0 3 FKAF in-vitro CC[C@@H](c1ccccc1)c1c(O)cc([C@H](CC)Cc2ccccc2)oc1=O 13738634 HALPINAQGOXQAN-QUCCMNQESA-N 362.469 5.624 0 1 FKAF CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(CCCCC(F)(F)F)cc1OC2(C)C 26393708 JIFAGTGHNWWHCX-CVEARBPZSA-N 368.439 6.278 0 1 FKAF CCn1cc(-c2ccc(Cl)cc2)c([C@@H](c2ccccc2)n2ccnc2)c1 28466218 JZPSHINULHRCBT-JOCHJYFZSA-N 361.876 5.663 0 1 FKAF COc1ccc2cc(CNCc3ccc(C)cc3)c(-c3ccsc3)nc2c1 64527976 WCYMWGVDNSBWIF-UHFFFAOYSA-N 374.509 5.570 0 1 FKAF Clc1cccc(Nc2ncnc3ccc(NCc4cccnc4)cc23)c1 96934224 FGJXAWAQNUAUQY-UHFFFAOYSA-N 361.836 5.034 0 1 FKAF CC(C)(C)c1cc(OC[Si](C)(C)c2ccccc2)cc(C(C)(C)C)c1O 195196235 FHTHVIWOFOPDJZ-UHFFFAOYSA-N 370.609 5.521 0 1 FKAF Cc1nc(N[C@@H](C)c2cccc(N)c2)cc(-c2ccc3occ(C)c3c2)n1 205332386 BXMOGWDGMRUMLO-AWEZNQCLSA-N 358.445 5.262 0 1 FKAF CCOC(=O)C1=CN(Cc2ccccc2)c2ccccc2[C@@H]1c1ccccc1 473096817 BPKCMUFJJQODNH-DEOSSOPVSA-N 369.464 5.286 0 1 FKAF CC(C)=CCC[C@@H](C)c1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586990380 CITWYNZUDHWIBU-OAHLLOKOSA-N 357.453 6.002 0 1 FKAF Fc1c(Br)cc2nc(CCc3ccccc3Cl)[nH]c2c1F 587059542 RWZHUNPNTXDBQZ-UHFFFAOYSA-N 371.612 5.042 0 1 FKAF C[C@H](c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccccc1C(F)(F)F 587096468 BQKKVVNKXAFBMG-VIFPVBQESA-N 358.285 5.752 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc(F)c(O)c(F)c3)nc3cccc1c23 587103590 KXPVYBJVUPLNKO-UHFFFAOYSA-N 359.331 5.097 0 1 FKAF CCOc1cc(/C=C/c2nc3ccc(Cl)cc3[nH]2)ccc1OC(F)F 587129613 FBUNVVRSDJUBOQ-XBXARRHUSA-N 364.779 5.387 0 1 FKAF Fc1cc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1-c1ccccc1 587145974 YEVPBSLLOBVQDR-UHFFFAOYSA-N 372.230 5.662 0 1 FKAF O=C1c2ccccc2-c2cc(C3=Cc4ccccc4OC3)nc3cccc1c23 587208590 CECYKUAANCUEOD-UHFFFAOYSA-N 361.400 5.379 0 1 FKAF COc1cccc(-c2cc(-c3[nH]c(C)cc3C)nc3c2oc2ccccc23)c1 587363703 TVBSPVWYARMZGS-UHFFFAOYSA-N 368.436 6.269 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C)[C@H](C)CC3)c1 587367839 XRPULMUQYXUREI-HUUCEWRRSA-N 357.453 6.342 0 1 FKAF CCOc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(C)C 587399478 KHMQPIFBEDQEON-NRFANRHFSA-N 353.462 5.114 0 1 FKAF CC(C)[C@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502237 CZMDISFUQBYMAZ-QFIPXVFZSA-N 356.412 5.360 0 1 FKAF CC(C)COc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522459 MDMLYXUTFFOXBN-QFIPXVFZSA-N 350.458 5.307 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3F)c(N3C(=O)CCC3=O)c2c1 587641835 KJBUYUIJXDLCSM-ZDUSSCGKSA-N 364.420 5.141 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 587781515 VYFHIBGEMXRIQI-YFHOEESVSA-N 368.436 5.024 0 1 FKAF CC(C)CC[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814963 XDMZFBKRMJWILS-DJJJIMSYSA-N 370.350 5.800 0 1 FKAF CCc1ccc([C@@H]2CCC[C@]3(C2)N[C@H](CC)Cc2c3[nH]c3ccccc23)cc1 962942874 CSRNGICTMQUMDC-IPVFLDMMSA-N 372.556 6.208 0 1 FKAF CCCN1[C@H](c2cccn2-c2ccc(F)cc2F)c2ccccc2C[C@H]1C 963224933 FAVVCZQCDZJQCP-MWTRTKDXSA-N 366.455 5.502 0 1 FKAF COc1ccc(C[C@@H]2Cc3cccc(OCC4CCCCC4)c3C2=O)cc1 1857749497 PVEJMUSOHSLPSM-HXUWFJFHSA-N 364.485 5.252 0 1 FKAF Oc1c(Cl)cc(Cl)c2ccc(-c3cc4cc(Cl)ccc4[nH]3)nc12 1857750596 YYLOTRPETJQHRT-UHFFFAOYSA-N 363.631 6.049 0 1 FKAF CCCCC/C=C\C/C=C\CCCCCCCCN[C@@H](C)c1ccccc1 2382226046 YNNIKBJGDUHFBQ-LRUOPRQTSA-N 369.637 8.151 0 1 FKAF CCCOc1ccc([C@H](C)c2ccc3c(c2)Nc2ccccc2S3)cc1 2382236924 PSGFYBMYOFACRC-INIZCTEOSA-N 361.510 6.835 0 1 FKAF Cc1cccc(-c2cc(O)c(Sc3ccccc3C(C)(C)C)c(=O)o2)c1 6523125 XOYZMPVCKRRJDK-UHFFFAOYSA-N 366.482 5.770 0 1 FKAF Cc1c(SCCc2ccc(C(C)(C)C)cc2)oc2ccccc2c1=O 13589027 AKMYAUABMTUXQO-UHFFFAOYSA-N 352.499 5.734 0 1 FKAF CC[C@@]1(CC(=O)O)CC[C@@H](Cc2ccccc2)c2c1[nH]c1c(C)cccc21 26296212 QQXXLYSSGPILMY-UUOWRZLLSA-N 361.485 5.719 0 1 FKAF CO[C@H]1CC(=O)O[C@@H](/C=C/c2c(C)cc(C)cc2-c2ccc(F)c(C)c2)C1 29479018 PSZKUPIEYIROBL-HMTUNPETSA-N 368.448 5.152 0 1 FKAF CCc1cccc(C)c1NC(=O)c1ccc(-c2cc(OC)ccc2OC)o1 64586002 OMYVVCMUBPVIEB-UHFFFAOYSA-N 365.429 5.087 0 1 FKAF CCN(Cc1coc(-c2ccccc2Cl)n1)c1cccc2ccccc12 72101262 ASYNDPYUOWPJMD-UHFFFAOYSA-N 362.860 6.175 0 1 FKAF Oc1ccc(-c2nc(CNc3ccc(Oc4ccccc4)cc3)co2)cc1 72179956 CZQWVFCHWKEADD-UHFFFAOYSA-N 358.397 5.452 0 1 FKAF C[C@@]12C[C@](C)(C=C1/C=C/CCc1ccco1)C(=O)C[C@H]2CCc1ccco1 102369516 HSYVZZKTEPXIFY-ZLGBLCGLSA-N 364.485 5.926 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CC[C@@H](C)C(=O)NC(C)C 169335289 NZNLIWSEVRUPQF-XCGAHZEVSA-N 359.598 6.903 0 1 FKAF O=C(c1c[nH]c2ccccc12)[C@@H](Nc1cc(F)cc(F)c1)c1ccccc1 218298312 KZLHDRUYORYODR-NRFANRHFSA-N 362.379 5.482 0 1 FKAF O=C(O)Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1 299829945 NALXAAAYJPSMFM-UHFFFAOYSA-N 353.421 5.574 0 1 FKAF COC(=O)c1c(/C=C/c2ccccc2F)cc(OC)c(CC=C(C)C)c1O 473091441 XYSTZUPEBJPBIP-ZHACJKMWSA-N 370.420 5.006 0 1 FKAF CC[C@]1(C)C[C@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 586889818 MZMSMJVLNPNOCJ-KSFYIVLOSA-N 374.444 5.192 0 1 FKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 586918107 WKKXWBIPDLYNBC-SBUREZEXSA-N 362.473 5.077 0 1 FKAF CCc1c(Cc2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990820 HOSBNIVLPLHWTP-UHFFFAOYSA-N 365.432 5.305 0 1 FKAF CC(C)Oc1ccc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587113570 NKBYHFXURFOQRZ-CYBMUJFWSA-N 362.395 5.715 0 1 FKAF Cc1cnc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 587159971 ZUUWWWFFLNHCFC-GOSISDBHSA-N 367.811 5.227 0 1 FKAF COc1cccc(-c2cc(-c3oc(C)nc3C)nc3c2oc2ccccc23)c1 587362559 HFHGHRASIOPYFY-UHFFFAOYSA-N 370.408 5.928 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CC(=O)[C@H]3C2)c1 587366255 KGAKMZQNYBBPPS-XJKSGUPXSA-N 355.393 5.200 0 1 FKAF CC[C@@H](C)Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587377647 XIWHFLDIOMVAMI-CWTRNNRKSA-N 359.853 5.114 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(C)c(C)cc1C)O2 587405943 OLDHRBQDYMEYND-RUZDIDTESA-N 371.480 5.411 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccc(Cl)cc3)s1)O2 587411641 FFVDGOFKDGINQD-INIZCTEOSA-N 370.861 5.061 0 1 FKAF CCN1c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2C[C@@H]1C 587517254 JZZBHKUQPAASPO-NPMXOYFQSA-N 361.485 5.043 0 1 FKAF O=C(c1c(-c2cccc3ccccc23)[nH]c2cc(Cl)c(F)cc12)C(F)F 587629486 RWGNPWKOFSWVDY-UHFFFAOYSA-N 373.761 6.228 0 1 FKAF Fc1ccc2c(-c3ccc(N4CCOCC4)cc3)c(-c3ccccc3)[nH]c2c1 587637092 UWWGUEKQPDVVSR-UHFFFAOYSA-N 372.443 5.478 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(F)cc(F)c3)c(CCC(=O)O)c2c1 587641406 IQECNHZGIXPPHT-GFCCVEGCSA-N 357.400 5.644 0 1 FKAF CCOc1ccc(OCC)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587778759 SOYVSCJINMNGAP-UHFFFAOYSA-N 368.330 5.185 0 1 FKAF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 587828484 NQVTVVPOWBMRGV-YPMLDQLKSA-N 374.253 5.266 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2Cl)N1 587844335 NBDWRTBJONQSPI-ANRSDYALSA-N 374.706 5.101 0 1 FKAF CC(C)=CCC[C@H](C)[C@@H](C)[C@@H]1c2ccsc2CCN1Cc1cccnc1 963002017 YOGSCWCTFAWOMH-YCRNBWNJSA-N 368.590 6.261 0 1 FKAF Cc1ccccc1[C@]1(c2cccs2)c2c(F)cccc2C[C@@H]2CCCN21 963097792 HKZVVRJMERMUDY-MBSDFSHPSA-N 363.501 5.508 0 1 FKAF Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)n(C2CCCCC2)n1 1857555158 BLTLZUGICACQHK-UHFFFAOYSA-N 373.500 5.545 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C]3C=CN(CC(=O)O)C=C3CC[C@H]12 2356865542 NKXDUWNOFBRCSE-DAVBRLECSA-N 356.530 5.401 0 1 FKAF CC(C)C1=C(Cc2ccccc2)C(=O)O/C1=C\c1ccc(O)c(Cl)c1 5732392 FJCMKDBQNWQPBT-UNOMPAQXSA-N 354.833 5.139 0 1 FKAF CC(C)[C@]12CC[C@@]3(CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]3C1)[C@@H](CN)C2 12672051 CFSIKOAGZWBLPX-JTJCASMRSA-N 361.570 5.085 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CC[C@H]1n1ccnc1 13586657 MRFBVQCSZMKBFY-HDEFRYABSA-N 366.505 5.650 0 1 FKAF COc1ccc(C(=O)O)cc1C/C=C(\C)CC/C=C(\C)CCC=C(C)C 14511568 GROHLIUQTAXNHP-UBIAKTOFSA-N 356.506 6.355 0 1 FKAF CCCCCc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 26577070 RPFBOOVVBZUEDC-UHFFFAOYSA-N 366.549 7.310 0 1 FKAF CC(C)Oc1c(-c2ccc(C(C)C)cc2)oc2ccc(C(=O)O)cc2c1=O 27079371 IRYANWPCTISJHR-UHFFFAOYSA-N 366.413 5.069 0 1 FKAF Cc1cc(-c2ccsc2)c2ncc(CSCCc3ccccc3)n2c1 28877356 LHQYWRYEKQTQSY-UHFFFAOYSA-N 364.539 5.847 0 1 FKAF COc1ccc2c(c1)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCC2 29415226 MBBNGNYSTQOAEW-HSZRJFAPSA-N 371.480 5.021 0 1 FKAF Oc1ccc(CNc2ccc(C(F)(F)F)cc2Cl)c2cccnc12 36380693 UQPQBZOYZKMTKG-UHFFFAOYSA-N 352.743 5.225 0 1 FKAF Clc1ccc2ncnc(NCCc3ccc(OC4CCCC4)cc3)c2c1 40429164 WYNRNMZJJCTJIX-UHFFFAOYSA-N 367.880 5.259 0 1 FKAF Fc1cccc(CSC2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1 43024305 RCJWGNZTUJJKRY-NHCUHLMSSA-N 362.473 5.501 0 1 FKAF Cc1ccc(N[C@@H](C(=O)CCc2ccncc2)c2ccccc2C)c(F)c1 52594996 YGOJLLDUOTYDMI-HSZRJFAPSA-N 362.448 5.193 0 1 FKAF C[C@H](c1cccc2ccccc12)N(C)Cc1ccc(Br)cc1 96930041 ACCOTZWYQNXIJQ-OAHLLOKOSA-N 354.291 5.795 0 1 FKAF CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1/C=C/c1ccccc1 103232662 NDQDYVIZPYNOHY-UACNQURRSA-N 370.448 5.866 0 1 FKAF COc1cc(CNC2CCCC2)cc(F)c1OCc1ccc(Cl)cc1 169302920 JXDTXQSINPTNCH-UHFFFAOYSA-N 363.860 5.099 0 1 FKAF Cc1ccc(-c2cc(NCCCN3CCCCC3)c3ccccc3n2)cc1 208042722 FUAOLMSMUJWPPD-UHFFFAOYSA-N 359.517 5.498 0 1 FKAF Oc1ccc(C(c2ccc(O)cc2)[C@H]2CCCC3(CCCCC3)C2)cc1 473154382 GTPUZYIQIWTBRY-FQEVSTJZSA-N 350.502 6.370 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 586897143 YLCSJYCSUKJCER-UHFFFAOYSA-N 355.224 5.909 0 1 FKAF Cc1nc2c(C)ccc3c2c(c1CC(F)=C(F)F)-c1ccccc1C3=O 586993560 ONIKUTPYIFWNSQ-UHFFFAOYSA-N 353.343 5.683 0 1 FKAF Cc1cnc(Cl)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc12 587016260 SWUCPRMVQYRNLT-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cncnc2[nH]1 587070476 HKFPJMVMOOAOOH-RQRQYGNQSA-N 359.260 5.026 0 1 FKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(OC(C)C)cc2[nH]1 587075532 HLHYPYPLCZCDIP-UHFFFAOYSA-N 366.852 5.165 0 1 FKAF Clc1cc2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2cc1Cl 587083727 IEXYDFOCEPXQAZ-UHFFFAOYSA-N 374.658 6.252 0 1 FKAF O=C(O)c1ccc(F)c(-c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)c1 587210641 UALCSPULIABJAH-UHFFFAOYSA-N 369.395 5.505 0 1 FKAF CC[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370714 AWOKAZCGIDIMKD-CTNGQTDRSA-N 368.429 5.257 0 1 FKAF CCCCCc1ccc([C@]2(C3CC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587405044 ITGHPOQXXIWTGA-DEOSSOPVSA-N 363.501 5.581 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC(C)(C)[C@@]34CC[C@@H](C3)C(C)(C)[C@@H]41)O2 587410255 ZENKAAPMYZIQPD-SOPLCPCWSA-N 367.533 5.544 0 1 FKAF Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587502406 KTWZNZNQXVICPW-LJQANCHMSA-N 371.274 5.343 0 1 FKAF CCc1c(-c2cc3c(cc2N)OCCO3)[nH]c2ccc([C@@H](C)CC)cc12 587641381 FJVXEQZNSQORDT-ZDUSSCGKSA-N 350.462 5.264 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2F)N1 587717811 LSDRXVWMUVFOGH-ZKANADHPSA-N 372.640 5.004 0 1 FKAF CCCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587820755 QTDWRYZUPKZVFJ-CWTRNNRKSA-N 362.286 5.164 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1ccccc1Cl 587861794 VOOAFGMMMABFIC-UHFFFAOYSA-N 366.770 5.279 0 1 FKAF Cc1ccc(C)c(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587959259 PIHUTXLCSXWDMI-UHFFFAOYSA-N 354.759 5.323 0 1 FKAF Clc1ccccc1-c1nnc(Nc2cccc(Br)c2)s1 653737452 ZULFTCABNPPUQE-UHFFFAOYSA-N 366.671 5.365 0 1 FKAF O=C(O)C1CN(Cc2cc3c(-c4ccc5ccccc5c4)cccc3s2)C1 1772571390 RXFIFPXJVCXZCF-UHFFFAOYSA-N 373.477 5.238 0 1 FKAF Clc1ccc2sc(SCCCCN3CCCCCC3)nc2c1 1857554850 HNACUVPMJOSRKZ-UHFFFAOYSA-N 354.972 5.698 0 1 FKAF CC(=O)c1c(O)c(CC=C(C)C)c2c3c1O[C@@]1(C)CC[C@@H]([C@H]3C1)C(C)(C)O2 1857613191 YGAJNFVQBYRCIY-SYJLOODJSA-N 370.489 5.309 0 1 FKAF C[C@H]1C[C@H](C(=O)Nc2nc3cc(Cl)cc(Cl)c3s2)CC(C)(C)C1 1857773155 XLIYZAZOULZHQP-UWVGGRQHSA-N 371.333 6.004 0 1 FKAF CC=C[C@@H]1OC(=O)C=C[C@@H]1OC(=O)C=CC(C)=C[C@@H](C)CCCCCC 2356564795 CQTZIHSZGZYODO-IHPCNDPISA-N 360.494 5.065 0 1 FKAF CC[C@@H]1c2nc3ccc(Cl)cc3cc2[C@H]2CCN(C)[C@H]3CCC[C@@H]1[C@H]23 211062159 YYOJCEGGJZHVQP-CFPPRVJZSA-N 354.925 5.599 0 3 FKAF CC[C@H]1Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2CC1(CC)CC 13581083 XBVYEKYLTSWRCK-MRXNPFEDSA-N 352.400 5.100 0 1 FKAF C/C(=C\c1ccc(C(=O)O)cc1)c1ccc(O)c(C2(C)CCCCC2)c1 13745071 BRIDULNVONKRHN-JQIJEIRASA-N 350.458 5.873 0 1 FKAF CCN(CC)CCCCCCCCNc1ccnc2cc(Cl)ccc12 27300057 HRIUXTURLSACND-UHFFFAOYSA-N 361.961 5.983 0 1 FKAF Cc1cc(CCCCCCCOc2ccc(C(=O)OC(C)C)cc2)on1 27852393 TZFODOMQFSNLTO-UHFFFAOYSA-N 359.466 5.120 0 1 FKAF CC(C)(C)[C@]1(O)CCN2C[C@@H](c3c(Cl)cccc3Cl)CC[C@@H]2C1 29469458 HDHTYXKMFFBPRE-KSMMKXTCSA-N 356.337 5.112 0 1 FKAF Cc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)cc1C 29488419 IZSBEPOPBLEMPA-UHFFFAOYSA-N 358.485 5.118 0 1 FKAF CC[C@H](O)C(=O)C[C@@H](C)CCC/C(C)=C\C=C\[C@]1(C)CCCc2ccoc21 38933412 GHGXPVQCIKVWSW-GYIOJCQESA-N 372.549 5.913 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cnc(Cl)c1 45358614 DFLFRVZLMATTHR-HZPDHXFCSA-N 373.349 5.998 0 1 FKAF COc1cc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)ccc1C 72110111 OWMWQYJSCGDQNJ-QHCPKHFHSA-N 353.506 5.333 0 1 FKAF Clc1ccccc1-c1nc(CN(Cc2ccccc2)c2ccccc2)co1 72183206 VRXLXRPVENHCES-UHFFFAOYSA-N 374.871 6.202 0 1 FKAF COc1oc(=O)c2cc(NCc3ccc4ccccc4c3)ccc2c1Cl 95589526 JNLLRQKNIOLGPG-UHFFFAOYSA-N 365.816 5.220 0 1 FKAF CCOC(=O)C1=Cc2cc(Cl)cc(Cl)c2O[C@H]1c1ccc(F)cc1 96910448 SPLDXKXCVXJETQ-INIZCTEOSA-N 367.203 5.213 0 1 FKAF COc1ccc2c(C)cc(=O)oc2c1-c1cc(-c2ccc(Cl)cc2)on1 98082421 SDVJNMOZBUHUEY-UHFFFAOYSA-N 367.788 5.085 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 105027829 QBEFIFWEOSUTKV-BZSNNMDCSA-N 370.577 7.457 0 1 FKAF C=C/C(C)=C/[C@@]1(C)SC(=O)[C@@H](CCCCc2ccc(Cl)cc2)C1=O 169693644 HXZMXQFFGIBWDS-JJMHFJPWSA-N 362.922 5.403 0 1 FKAF Cc1ccc(Nc2nnc([C@H](C)Oc3ccc(Br)cc3)o2)cc1 169702757 YLTHDMZUKXKFFK-LBPRGKRZSA-N 374.238 5.024 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4nc(Cl)ccc4[nH]3)cc2)CC1 586880637 OHKGZTZULWUWMK-WKILWMFISA-N 367.924 6.742 0 1 FKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(O)cc2[nH]1 586981912 GBOVOYVGEWMJDI-AWEZNQCLSA-N 373.294 5.403 0 1 FKAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)s1 587014973 UXPAMHKGYJKIOP-SECBINFHSA-N 355.385 5.111 0 1 FKAF Cc1cccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c12 587030408 DOEBQMLONGSICY-UHFFFAOYSA-N 358.264 5.098 0 1 FKAF Clc1ccc(-c2cc(-c3nc4cc(Cl)ncc4[nH]3)ccc2Cl)cc1 587047359 HLCCUQANCPMYDO-UHFFFAOYSA-N 374.658 6.252 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2cccc(C(F)(F)F)c2[nH]1 587066362 MAWGVOVZTFBGBF-UHFFFAOYSA-N 368.786 5.555 0 1 FKAF Cc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1Cl 587115755 ACYRTUIXLHHFGU-UHFFFAOYSA-N 362.742 5.154 0 1 FKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(Cl)nc3[nH]2)cc1F 587151007 OAZPWLNUGDUWAF-QGZVFWFLSA-N 371.774 5.058 0 1 FKAF Cc1ccc(NC2(c3nc4ccc(Br)cc4[nH]3)CCCC2)cc1 587237589 VDGFNINPMACLBZ-UHFFFAOYSA-N 370.294 5.515 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(Cl)cc1C)O2 587378884 REGCYTDEFFQALM-FQEVSTJZSA-N 366.848 5.036 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCCCC13CCCCC3)CC2=O 587483605 QZWFGQLINKWXGO-HSZRJFAPSA-N 356.506 5.963 0 1 FKAF CCCc1c(O)ccc2c1OC1(CC2=O)c2ccccc2Oc2ccccc21 587490682 XYGTVPNWPGCENL-UHFFFAOYSA-N 372.420 5.359 0 1 FKAF CC(C)[C@@]1(Cc2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500634 MRPWEBNVBIYDSU-HSZRJFAPSA-N 368.904 5.822 0 1 FKAF CCc1ccccc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513793 UNIMOSFHIRPUNI-XMMPIXPASA-N 371.480 5.625 0 1 FKAF Cc1cc(-c2ccnc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)c(C)s1 587876243 MURYOOHXJGNIEK-UHFFFAOYSA-N 364.405 4.919 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cccc(C(C)(C)C)c4[nH]3)ccc2c1 587936012 YUKUCAINDNVICS-OAHLLOKOSA-N 358.485 6.174 0 1 FKAF COc1c(C)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1C 1857628480 UAGQSJYIJCFGJT-UHFFFAOYSA-N 374.408 5.255 0 1 FKAF COc1ccc2c(c1)OC(C)(C)C/C2=C(/c1ccccc1)c1ccc(O)cc1 1857644350 LNUGTOYOOAJLRZ-ZNTNEXAZSA-N 372.464 5.921 0 1 FKAF 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]3C=C[C@@]21C 2356861214 UGOMTIBMXXAAHQ-MXHLMSPNSA-N 372.549 5.059 0 1 FKAF CCCC1CCC2(CCCN2CCOC(=O)Nc2ccccc2OC)CC1 205709551 ZCMDVASCJOYJRR-UHFFFAOYSA-N 374.525 5.069 0 3 FKAF CCc1c(-c2ccc(O)cc2)oc(-c2ccccc2)c1-c1ccc(O)cc1 13558569 MMASLBCMCYXQLJ-UHFFFAOYSA-N 356.421 6.254 0 1 FKAF Cc1cc(N)c2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2n1 13835515 NJJYCHUUOLHVET-UHFFFAOYSA-N 353.425 5.045 0 1 FKAF CC(C)=CCc1c(CCc2ccc(O)cc2)cc(O)c2c1OC(C)(C)C=C2 14455460 INPADQATNFRTNV-UHFFFAOYSA-N 364.485 5.576 0 1 FKAF biogenic O=C(O)c1ccc(Cc2cc(Cl)ccc2OCc2ccccc2)s1 29128670 PPSRCTBHVUVHLF-UHFFFAOYSA-N 358.846 5.270 0 1 FKAF CCOC(=O)[C@@H](C)Oc1ccc(Oc2cc3ccc(Cl)cc3cn2)cc1 29244247 UVNOLKGQXQNIAN-CYBMUJFWSA-N 371.820 5.011 0 1 FKAF Fc1cnc(Nc2ccc3cc[nH]c3c2)nc1Nc1ccc2cc[nH]c2c1 35791145 KHAZWHVRANIROT-UHFFFAOYSA-N 358.380 5.066 0 1 FKAF Cc1ccccc1Oc1cccc(COc2ccc(CCC(=O)O)cc2)c1 66114146 VYRBIEVJQDCNPP-UHFFFAOYSA-N 362.425 5.384 0 1 FKAF C[n+]1cccc(N(CCCCCC2CCCCC2)c2ccc(Cl)cc2)c1 66166527 SKEWERCEWATYJZ-UHFFFAOYSA-N 371.976 6.443 0 1 FKAF Cc1ccc(-c2cnc(N(Cc3ccccc3)c3ccccc3)s2)cc1 71329574 DPZZBZDPJAJWNG-UHFFFAOYSA-N 356.494 6.457 0 1 FKAF CCCCC[C@H](C)NCc1coc(-c2ccc(Br)cc2)n1 72103522 GFCVGBSACOXTFG-ZDUSSCGKSA-N 351.288 5.163 0 1 FKAF CC[C@@H](NCc1coc(-c2ccc(Br)cc2)n1)c1ccccc1 72183879 PHOAUSZZROPKLL-GOSISDBHSA-N 371.278 5.345 0 1 FKAF Cc1nc2c(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cccc2[nH]1 84618783 DMIBCQGHRNHFSI-UHFFFAOYSA-N 368.746 5.188 0 1 FKAF CCCC[C@@H](COc1ccc(C(=O)OCC)cc1)Oc1cccc(C)c1 90427249 CLJAIQBCKUSRFF-NRFANRHFSA-N 356.462 5.188 0 1 FKAF c1ccc(CNc2c(-c3cccc4ccccc34)nc3cnccn23)cc1 95559704 QSWGNRILCYNYAS-UHFFFAOYSA-N 350.425 5.162 0 1 FKAF O=C1/C(=C\c2ccccc2)c2ccccc2N1c1c(Cl)cccc1Cl 98083957 TWXCDOUJDOEJPV-SSZFMOIBSA-N 366.247 6.212 0 1 FKAF FC(F)(F)c1ccc(CCc2nc3ncc(-c4ccco4)cc3[nH]2)cc1 140268957 AWFLMESUGIZUTR-UHFFFAOYSA-N 357.335 5.022 0 1 FKAF O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCc2ccc3ccccc3c2O1 169348142 IJPIYDRMJCOBBT-SFHVURJKSA-N 371.358 5.191 0 1 FKAF CCCCSc1nc([C@H](C)c2c(F)cccc2Cl)c(CC)c(=O)[nH]1 169352220 WQLBZGXQLDSDEZ-LLVKDONJSA-N 368.905 5.169 0 1 FKAF O=C(Nc1cc2c(C3CC3)nc(-c3ccccc3Cl)cc2cn1)C1CC1 169700073 MLKFNFUGPCNQHD-UHFFFAOYSA-N 363.848 5.176 0 1 FKAF COC(=O)C[C@H](C)CCC/C=C(/C)CCc1coc(Cc2ccco2)c1 238736627 OFHHQFBCPQSBJL-CTUYBLSSSA-N 358.478 5.712 0 1 FKAF CC[C@H](C)CCCCCCCCCCCCCCCCC[C@H](O)CO 238759125 JQEKEXDMJYLFNV-GOTSBHOMSA-N 356.635 7.017 0 1 FKAF CC(C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C 255200139 BKWBRNDZAJHCMT-ZUEQTPSWSA-N 370.621 6.775 0 1 FKAF Cc1cc(-c2nc3c(C)c(C)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878327 CUORDTPGZOEARU-UHFFFAOYSA-N 356.425 5.520 0 1 FKAF Ic1ccc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1 586880657 OUMOVLSYSMEEOK-UHFFFAOYSA-N 374.225 5.102 0 1 FKAF Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)c1C 586991241 LQHYJLZLCIEURZ-UHFFFAOYSA-N 367.404 5.141 0 1 FKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4c(Cl)ccnc4[nH]3)c2)c1 587049783 LKJRNOZOQRRLEK-UHFFFAOYSA-N 368.223 5.411 0 1 FKAF Clc1nc(-c2nc3cc4ccccc4cc3[nH]2)ccc1-c1ccccc1 587083738 IVIHHRNFOOOKMS-UHFFFAOYSA-N 355.828 6.099 0 1 FKAF Cc1ccc2c3c(c(C(C)C)c(-c4ccccn4)nc13)-c1ccccc1C2=O 587096601 IHJNYAVEBMWKGR-UHFFFAOYSA-N 364.448 5.940 0 1 FKAF CCOc1cc(/C=C/c2nc3cc(C)c(C)cc3[nH]2)ccc1OC(F)F 587129972 ICPGNZXJDRMYIH-SOFGYWHQSA-N 358.388 5.350 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cc(N)c(N)cc4[nH]3)c(Cl)c2)cc1F 587146057 XLSAMZWDWCWNPJ-UHFFFAOYSA-N 366.827 5.162 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 587152867 SVNAHKQOZCNMLW-SJORKVTESA-N 374.390 5.343 0 1 FKAF Cc1cc(Cl)cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c12 587240633 MJJNEPUYBUVZSP-UHFFFAOYSA-N 373.840 5.244 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](C)[C@@H]3C)c1 587366406 MBFTUQXTVZISDJ-CABCVRRESA-N 357.453 6.342 0 1 FKAF COc1cc2c3c(c1)O[C@@](c1ccccc1Cl)(C1CCCC1)[C@@H](C2)C3=O 587417670 DWWSYNSCVJFQAY-HTAPYJJXSA-N 368.860 5.182 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](c3ccc(F)cc3)C1)CC2=O 587470120 DNWPZYAWABVZBS-IVZQSRNASA-N 354.421 5.156 0 1 FKAF CCOc1ccc(CC)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522324 HEFPAKZRJOAHJL-JOCHJYFZSA-N 350.458 5.233 0 1 FKAF O=C(Nc1cccnc1)c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587631802 VBIMINAEYGKPSG-UHFFFAOYSA-N 365.795 5.275 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cnn(CC)c3)c2c1 587640252 GQQQYAMPFKGNLZ-LLVKDONJSA-N 363.383 5.148 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(Cl)c2)N1 587729641 HVMGKSYGUVJSSE-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF CCCCC/C=C\[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814436 HTFMVUCJKARQIS-VRQCWPEKSA-N 354.307 5.474 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)c2ccccc2)N1 587818802 JZDHQMOHTQWFHU-XIKOKIGWSA-N 362.286 5.141 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc(OC(C)C)cc4[nH]3)c2)cc1 587934455 AKAKCMASFZEOOV-UHFFFAOYSA-N 358.441 5.693 0 1 FKAF O=C(CCCCCCc1ccccc1)c1nnc(-c2ccccc2)s1 653702450 SVECLRIRGLGNIS-UHFFFAOYSA-N 350.487 5.581 0 1 FKAF COc1ccc2cc([C@]3(C)NCCc4ccc(F)c(C)c43)ccc2c1Cl 962088177 CZGMVSAIHZPYPB-QFIPXVFZSA-N 369.867 5.359 0 1 FKAF CC1=C(Cc2nn[nH]n2)c2ccccc2/C1=C\c1ccc(C(C)(C)C)cc1 1857591700 XOHQDWNAGGXCAR-MOSHPQCFSA-N 356.473 5.068 0 1 FKAF O=c1cc(-c2cccc(OCc3cccc(F)c3F)c2)oc2ccccc12 1857612309 MSFFBKIIQUFELX-UHFFFAOYSA-N 364.347 5.317 0 1 FKAF CC(C)NCc1cc(-c2ccccc2F)n2c1cnc1cc(Cl)ccc12 1857751392 ULNYKACPNWEEJU-UHFFFAOYSA-N 367.855 5.445 0 1 FKAF CC[C@]1(CO)CCC[C@]2(CC)[C@@H]3CC[C@]4(CC)[C@H](CO)[C@]4(C)[C@H]3CC[C@@H]12 2356340708 VYQWCNNMMGUBMV-KSBKVOADSA-N 362.598 5.416 0 1 FKAF CC(C)c1ccc2oc(N[C@H](CC3CCCCC3)c3ccccc3)nc2c1 1535745 LSJCKUNUTBUTBX-OAQYLSRUSA-N 362.517 7.075 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)c(F)c3)c(CC(=O)O)c2c1 3746126 QUBVMCHKRBCSRQ-LBPRGKRZSA-N 355.409 5.123 0 1 FKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1c(O)c(O)cc2ncoc12 14612122 PKFRXFDKJHUTSK-GCPVUHDESA-N 355.478 5.580 0 1 FKAF biogenic O=C(CCCCCCc1ccccc1Cl)c1ncc(-c2ccccn2)o1 14979894 RGBFZMIPBWNGPE-UHFFFAOYSA-N 368.864 5.766 0 1 FKAF CCC(=O)c1cc2c(o1)C[C@@H]1CC[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]1(C)C2 27429901 BRNOSSNGWQHLRG-MBSMBMGWSA-N 370.533 5.191 0 1 FKAF COc1ccc(C(=O)Nc2oc(-c3ccccc3)nc2-c2ccccc2)cc1 35272339 BMXCJNGCNQDSAN-UHFFFAOYSA-N 370.408 5.270 0 1 FKAF C[C@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 79778021 YTNIUPZRMQLHNV-NMQWMWRVSA-N 372.641 5.446 0 1 FKAF biogenic Cc1nc(-c2cnc(NC3CCCCC3)nc2-c2ccc(F)cc2)oc1C 82164132 CUAHAXIFXQYNEN-UHFFFAOYSA-N 366.440 5.299 0 1 FKAF CC(=O)O[C@@H]1C[C@@]2(C)C(C)=CCC[C@@H]2[C@@](C)(CC/C(C)=C\C(=O)O)[C@@H]1C 85841453 DJEUHRRTZPCWNH-QTQSCJJISA-N 362.510 5.138 0 1 FKAF O[C@@](c1cccnc1)(c1cc2ccccc2o1)c1ccc(Cl)cc1Cl 87723149 KCNBYPZCHTYFQF-HXUWFJFHSA-N 370.235 5.419 0 1 FKAF Fc1cc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2cc1Br 129524932 PROGKNQAXMUMES-UHFFFAOYSA-N 359.120 5.150 0 1 FKAF COc1ccc(C(=O)O[C@@H]2C/C=C(/C)CCCC(C)(C)[C@H](O)/C=C\2C)cc1 169692856 UIBZVWWCDCGANN-SPLAZFEKSA-N 372.505 5.074 0 1 FKAF c1ccc(-c2cc(SCCCN3CCCCC3)c3ccccc3n2)cc1 208043461 HWKHSFPETKHOHH-UHFFFAOYSA-N 362.542 5.870 0 1 FKAF C[C@H]1[C@H]2CC[C@H]3[C@]4(C)CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C 238734270 AYYIATOVDZJSNR-XCJBNYFDSA-N 370.625 5.200 0 1 FKAF O=C1O[C@@]2(CCCc3ccccc32)CC(O)=C1Sc1ccccc1Cl 299819292 ARXGAYSNNUEORZ-FQEVSTJZSA-N 372.873 5.380 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3c(C)cc(Br)cc3[nH]2)cc1 586880816 HLEQIEBOGFTVLR-UHFFFAOYSA-N 357.295 5.988 0 1 FKAF CCCC(Br)(CCC)c1nc2cc(Cl)c(Cl)cc2[nH]1 586970845 KEQZWZVRERQJAH-UHFFFAOYSA-N 364.114 6.060 0 1 FKAF CC(C)[C@@H]1CCCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586991057 QQFIRBQIYRUPBR-CQSZACIVSA-N 357.453 5.303 0 1 FKAF COc1cc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2cc1C 587003132 FEMORGYQSUMOAS-UHFFFAOYSA-N 371.234 5.364 0 1 FKAF Fc1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 587015078 DVJYNITXNIUKQL-UHFFFAOYSA-N 364.232 5.799 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587069011 HGMWFCXYPAOBLD-MRVPVSSYSA-N 368.651 5.295 0 1 FKAF Cc1cnc(Cl)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c12 587083547 ZEBGXQBCRUPOLH-UHFFFAOYSA-N 363.635 5.442 0 1 FKAF C[C@@H]1CC(C)(C)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357897 WMDKFDBNNIVREA-OEVHLYDDSA-N 354.421 5.085 0 1 FKAF CCCCC[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587484237 SBUBHQQYARYFFS-QHCPKHFHSA-N 368.473 5.491 0 1 FKAF C[C@]1(c2c(F)ccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587503453 GWYOQTRDMGEHAE-HXUWFJFHSA-N 362.803 5.378 0 1 FKAF O=C1C[C@](c2ccccc2)(c2ccccc2F)Oc2c1ccc1c2CCCC1 587504756 NFMWKFMIIQASJW-VWLOTQADSA-N 372.439 5.614 0 1 FKAF C[C@@H](CC[C@@H](C)CC(C)(C)C)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527956 XYIRPJFYMNNTFW-HYFFOGBASA-N 356.550 6.388 0 1 FKAF CC(C)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587601747 GXRWEHLAFDSSNN-NZQKXSOJSA-N 360.409 5.219 0 1 FKAF Fc1ccc2[nH]c(-c3ccc(Cl)cc3)c(-c3ccccc3)c2c1Cl 587629112 UXEROEXZRREQQP-UHFFFAOYSA-N 356.227 6.948 0 1 FKAF CC(C)(C)C(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587629829 JVHQSENUBLIIKL-UHFFFAOYSA-N 371.708 5.843 0 1 FKAF Cc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1F 587784131 MBBZGXIRMXJADY-XFXZXTDPSA-N 358.416 5.760 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](C)C2CCCCC2)N1 587811903 IFDIGVDBORLFBZ-VPZZIHKRSA-N 368.334 5.554 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](C)C2CCCCC2)N1 587813525 OKGYKDZRLWMTNN-VPZZIHKRSA-N 368.334 5.554 0 1 FKAF Cc1cccc(C2CC3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 587817308 JUVURBFTQZKASI-CZTOGXCSSA-N 374.297 5.204 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC2CCCCCC2)N1 587818203 GPUWGCPZRHANHV-XIKOKIGWSA-N 354.307 5.524 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(SC)cc4[nH]3)c2)c1 587932462 FMZGXSIECNVMBQ-UHFFFAOYSA-N 362.454 5.333 0 1 FKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1csc2ccccc12 1772607977 WBANTQGBVRLKBC-SNAWJCMRSA-N 361.432 6.065 0 1 FKAF CCC=CC[C@H](O)CCC=CCCCCCCCc1cc(O)cc(O)c1 2356420300 VWQPNCPIVYGVMV-NRFANRHFSA-N 360.538 6.035 0 1 FKAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356660339 KGECUYUTWWUGRM-BHXDCAKSSA-N 373.581 5.081 0 1 FKAF CCC=CCC=CCC=CCC=CCC=CCC=CCCCCC(=O)O 2356672140 YHGJECVSSKXFCJ-UHFFFAOYSA-N 356.550 7.329 0 1 FKAF C[n+]1c2c(c(Sc3ccc(Cl)cc3)c3ccccc31)Cc1ccccc1-2 13555526 VVEMFKNNSVLGHN-UHFFFAOYSA-N 374.916 6.040 0 1 FKAF CCCCN(Cc1ccccc1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 26390636 OBTGFAVWGWHGFE-UHFFFAOYSA-N 366.292 5.410 0 1 FKAF O=C(C[C@@H](SC(=S)N1CCCC1)c1ccccc1)c1ccccc1 34640815 BVDHRWFXTFFLGS-LJQANCHMSA-N 355.528 5.115 0 1 FKAF CCC[C@@H]1C[C@@]1(CCC)[C@H](NC(=O)c1ccccc1)c1cccc(Cl)c1 38179238 YTWKGFXEBNXNJP-KJXAQDMKSA-N 369.936 6.418 0 1 FKAF c1cc(-c2nccs2)nc(Nc2ccc(OCC3CCCCC3)cc2)n1 40898244 JERCBOYPHMUUDI-UHFFFAOYSA-N 366.490 5.303 0 1 FKAF FC(F)(F)c1ccc(-c2cncc(-c3ccc(C(F)(F)F)cc3)n2)cc1 45193495 JSZNVHANCCQBGN-UHFFFAOYSA-N 368.280 5.848 0 1 FKAF Fc1ccc(-n2ncc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1 49052691 HLQDKDNOSPNGGW-UHFFFAOYSA-N 356.322 5.850 0 1 FKAF CSc1ccc(C2=NC(c3ccncc3)=C(c3ccc(F)cc3)C2)cc1 52617584 CYXDITGATVMCNR-UHFFFAOYSA-N 360.457 5.704 0 1 FKAF CN(Cc1coc(-c2ccc(O)cc2)n1)C(c1ccccc1)c1ccccc1 72183731 BMFQTSHCUYHCHP-UHFFFAOYSA-N 370.452 5.269 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(Br)cc2)CCC1 103921397 PTNFICLHUHETDQ-IBGZPJMESA-N 369.262 5.684 0 1 FKAF Clc1ccc(Nc2ncccc2-c2nnc(Nc3ccccc3)o2)cc1 169325156 MYLNSZVIOCXDGL-UHFFFAOYSA-N 363.808 5.272 0 1 FKAF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 255280497 XIIAYQZJNBULGD-UIKNAKHKSA-N 372.681 8.498 0 1 FKAF CO[C@@H]1CCC[C@@H](c2cc(O)c3c(c2)OC(C)(C)C2=C3C[C@H](C)CC2)C1 299849200 XGSFJDGYMAHCQS-BFYDXBDKSA-N 356.506 5.809 0 1 FKAF O=C(CCCN1C=CC(c2ccc(Cl)cc2)C=C1)c1ccc(F)cc1 473180276 DSJNJIDZTWNZND-UHFFFAOYSA-N 355.840 5.569 0 1 FKAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)s1 587022887 CTOLLVNOXPNVMT-UHFFFAOYSA-N 372.494 5.331 0 1 FKAF OCc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587049428 ABVDGVQOSZQNIM-UHFFFAOYSA-N 359.212 5.289 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](c1ccc(F)cc1)C3 587102997 CIHVUIZOCPDHAQ-OAHLLOKOSA-N 365.407 5.468 0 1 FKAF CN(C)c1cc(F)ccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103677 MYXYCOBAPSWECQ-UHFFFAOYSA-N 368.411 5.318 0 1 FKAF COc1cc2c(cc1F)Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587104914 XBDZMDVYRQMVGI-UHFFFAOYSA-N 367.379 5.165 0 1 FKAF CCCc1ccc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)cc1 587205843 GGYKFAACYCVYNP-UHFFFAOYSA-N 363.460 6.374 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc4cccc(O)c4o3)nc3cccc1c23 587207319 RLBUOGCSELLHGW-UHFFFAOYSA-N 363.372 5.565 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(CCC1=C(C)CCCC1(C)C)[C@@H](C2)C3=O 587443751 BRSSEDFOSFWMLR-FDDCHVKYSA-N 354.490 5.508 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1c1ccccc1Cl)CC2=O 587459091 BIWHPULOSRZDPS-VGSWGCGISA-N 370.876 5.670 0 1 FKAF CCCC[C@]1([C@H]2CCOC(C)(C)C2)CC(=O)c2ccc(O)c(CCC)c2O1 587485502 WBCPNMVBQPMYGS-QMHKHESXSA-N 374.521 5.444 0 1 FKAF O=C1C[C@@H](c2ccccc2CCC(F)(F)F)Oc2c1ccc1c2CCCC1 587496316 BGUCYKKLMLTYKM-FQEVSTJZSA-N 374.402 5.767 0 1 FKAF Cc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587600587 BJGXNHRBDRRVQE-URXFXBBRSA-N 374.436 5.194 0 1 FKAF CCOC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccccc1Cl 587627915 FOMJYZQKYCLXPC-UHFFFAOYSA-N 366.219 5.386 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@@]2(C)C3(C)C)N1 587819638 WFUHHOGLPLTXBI-AIUTXOIMSA-N 366.318 5.164 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C3CCC3)c2)N1 587821809 XWMQYHACMZRBEI-MPBGBICISA-N 374.297 5.479 0 1 FKAF O=C(Nc1cccc(C(F)(F)F)c1)n1nc2cc1Oc1ccc(F)cc1-2 587873726 IHJCHQLUOGKUTN-UHFFFAOYSA-N 363.270 4.894 0 1 FKAF COc1ccc([C@@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653799694 RTCKQHHNBFDKIY-QGZVFWFLSA-N 354.881 5.937 0 1 FKAF CC(C)(O)c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1 1772577886 AOHPHYJEOLICRG-UHFFFAOYSA-N 373.378 5.133 0 1 FKAF CCCN(CCc1c[nH]c2ccccc12)Cc1ccc(-c2ccccc2)o1 1857741886 QFXDBYVYTITKDW-UHFFFAOYSA-N 358.485 5.883 0 1 FKAF CC(=O)O[C@H](CC(C)=CCCc1ccoc1)C[C@@H](C)CCCc1ccoc1 2356661547 FTIFGDQWFHYSPU-WMZHIEFXSA-N 372.505 6.122 0 1 FKAF CCCn1cc(C(=O)Nc2ccc(Oc3cccnc3)cc2)c2ccccc21 199263510 ZYQKKPLGWALDLL-UHFFFAOYSA-N 371.440 5.491 0 3 FKAF COc1cc(C(C)C)c(Oc2c(C)c(OC)cc(C(C)C)c2O)cc1C 1697360 ZWFZLZIKCMVVAH-UHFFFAOYSA-N 358.478 6.065 0 1 FKAF biogenic CCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3OC)c(C)c2c1O 3800388 BWWMVYKSGSZHEH-UHFFFAOYSA-N 374.864 5.661 0 1 FKAF O=C(Nc1ccc(Cl)cc1)N1CCCC[C@H]1C12CC3CC(CC(C3)C1)C2 6535908 PCDXWSAVBFDKCU-FQYNAJQUSA-N 372.940 5.943 0 1 FKAF c1ccc(CSc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1 13559972 CWUDXTOMSGYZBT-UHFFFAOYSA-N 368.465 5.237 0 1 FKAF O=C(O)c1ccc2c(c1)[C@H](SCc1ccccc1)c1ccccc1CO2 13827500 MOHCIIDBJLWIHN-OAQYLSRUSA-N 362.450 5.300 0 1 FKAF CC1CCN(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1 14970855 AOXUXJXIJKCXEP-UHFFFAOYSA-N 352.869 5.028 0 1 FKAF CCCCC[C@@H](c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 22941630 JQEVLYWMVMKITJ-FKBYEOEOSA-N 356.941 5.736 0 1 FKAF C[C@H](CO)[C@H]1CC[C@H]2/C(=C/C=C3CCC4(CC3)OCCO4)CCC[C@@]21C 26653058 CYPXZNOVNNOREM-IOVPRGIQSA-N 360.538 5.001 0 1 FKAF Cc1cccc(NC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1 28703810 GMYYMEOGFRKSFS-UHFFFAOYSA-N 374.469 5.498 0 1 FKAF Clc1ccc([C@H]2C[C@H](NCc3ccccc3)c3ccccc32)cc1Cl 29485306 FVVRXOHRSYEMTM-KNQAVFIVSA-N 368.307 6.360 0 1 FKAF O=C(CCCCCCc1ccccc1)c1ncc(-c2cc(F)ccn2)o1 34803764 BRIZPUVXNAJYDO-UHFFFAOYSA-N 352.409 5.252 0 1 FKAF CCCCCC(=O)S[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233094 UWYHYPCHQNFSPD-INIZCTEOSA-N 371.333 5.771 0 1 FKAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12 43197591 GKKBLQYJVQMYST-UHFFFAOYSA-N 366.804 5.005 0 1 FKAF CSc1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1 73199186 SKJMEORHWFIJNY-UHFFFAOYSA-N 365.567 5.392 0 1 FKAF Cc1ccoc1C(=O)Nc1ccc(Oc2ccnc(-c3ccc[nH]3)c2)cc1 116236036 NMDGZSOTLLTSKB-UHFFFAOYSA-N 359.385 5.023 0 1 FKAF CC(C)=CCC/C(C)=C/Cn1cc(CN2CCCC2)c2cc(F)ccc21 144270249 DKPNXFPMJMJKMO-YBFXNURJSA-N 354.513 6.069 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(C(F)(F)C5N=NN=N5)cc4CC[C@H]3[C@@H]1CCC2=O 299821670 LRGMUOXBDRFFNI-JEWRLFTDSA-N 372.419 5.363 0 1 FKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)s1 587014457 LTJPOBXDLDOABI-QMMMGPOBSA-N 356.278 5.399 0 1 FKAF Clc1ccc2c(c1)C[C@@H](c1nc3ccc(Oc4ccccc4)cc3[nH]1)O2 587080361 MJFYGBXKNGWIMA-FQEVSTJZSA-N 362.816 5.685 0 1 FKAF FC(F)(F)c1cncc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587115683 WOZBIRXULBXMCB-UHFFFAOYSA-N 371.387 5.795 0 1 FKAF Fc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1F 587125456 QOLJLLLVXSXLNI-ZZXKWVIFSA-N 356.319 5.623 0 1 FKAF Cc1cc2[nH]c(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)nc2c(C)n1 587145199 LDPXDGIVIJTHLQ-UHFFFAOYSA-N 365.839 6.010 0 1 FKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc3ccccc3cc2[nH]1 587201163 IKPUMJHHSKSICK-UHFFFAOYSA-N 367.493 5.297 0 1 FKAF Cc1c(Cl)ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c12 587201867 XWDKJYGDMWIORV-UHFFFAOYSA-N 365.905 5.106 0 1 FKAF COc1cccc(-c2cc([C@H]3CCCOC3)nc3c2oc2ccccc23)c1 587367329 VNTLTYPUFOBWCO-INIZCTEOSA-N 359.425 5.551 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)[nH]c3ccccc13)CC2=O 587460690 IVGGJMIRICNHPR-NRFANRHFSA-N 369.848 5.360 0 1 FKAF O=C1C[C@H](c2cccc(CCC(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587503878 ZSAPHUBYZSTJHR-HXUWFJFHSA-N 374.402 5.767 0 1 FKAF CC[C@H](C)n1nc(C)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587507658 RPOKNRPKCNPCPJ-SGTLLEGYSA-N 372.896 5.401 0 1 FKAF CO[C@H](C)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523723 OZQIUCCEFATQQO-IQMFZBJNSA-N 350.458 5.153 0 1 FKAF CCCC[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531894 IPQQMXIZOLQJQK-QHCPKHFHSA-N 350.458 5.322 0 1 FKAF CC[C@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600983 DMAAQJBURUVODV-XUZZJYLKSA-N 374.436 5.276 0 1 FKAF Cc1cccnc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C 587627892 LJUPCGCDHZBUSB-UHFFFAOYSA-N 358.285 5.884 0 1 FKAF Cc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2ccc(F)c(Cl)c12 587630554 KZQLSASUAHGJRM-UHFFFAOYSA-N 352.840 6.155 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CCCC[C@H]3C2)N1 587817521 LLCQAPOIFPFIAY-VYGYDYRJSA-N 366.318 5.308 0 1 FKAF Fc1cc(Br)c2[nH]c(/C=C\c3cccc4ccccc34)nc2c1 587967310 GVFKAMBBXITKES-HJWRWDBZSA-N 367.221 5.788 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCc3[nH]c4ccc(F)cc4c32)N1 962954044 XERDKOLEEIOWJT-IZHWHUGBSA-N 373.475 5.293 0 1 FKAF COc1ccc2c(c1)[C@](C)(c1ccc(-c3ccc(F)cc3)cc1)N[C@H]1CC[C@@H]21 962994432 KMQODTKHBQYIOO-HVCNVCAESA-N 373.471 5.614 0 1 FKAF Fc1cccc2c1[C@H](c1ccc(C(F)(F)F)c(Cl)c1)N1CCC[C@H]1C2 963106787 NKBHIIYTXWSBCC-UGSOOPFHSA-N 369.789 5.608 0 1 FKAF CCC(C)(C)[C@]1(c2ccccc2)c2cccc(Br)c2CCN1C 963281619 TUMUMIGVFBWPGX-NRFANRHFSA-N 372.350 5.617 0 1 FKAF Fc1cccc(Cl)c1CN1CCC(F)(F)[C@H](CCc2ccccc2)C1 1772584195 WRMURLFIIDCIFU-MRXNPFEDSA-N 367.842 5.569 0 1 FKAF c1ccc(CNc2nc(-c3ccccc3)nc3sc4c(c23)CCCC4)cc1 1772592249 CWCXISYMYKGJPK-UHFFFAOYSA-N 371.509 5.849 0 1 FKAF CN(c1ccc2c(c1)c1ccccc1n2C)c1nc(Cl)nc2ccccc12 1857589258 LUUNKJZWVHMKND-UHFFFAOYSA-N 372.859 5.696 0 1 FKAF CCOc1c(-c2csc3ccccc23)oc2ccc(OC)cc2c1=O 1857591090 LEBOWBSJHVNVOA-UHFFFAOYSA-N 352.411 5.082 0 1 FKAF Cc1ccc(C=CC2=C[C@@]3(C)C[C@@]2(C)[C@H](c2ccc(C)cc2)CC3=O)cc1 1857623077 VNDABGLWEBDVEO-AYRHNUGRSA-N 356.509 6.416 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/[C@H](C)/C=C\CCCC(=O)NCCO 1857647771 DYIIIMYTCWNUID-PELZULLJSA-N 361.570 5.487 0 1 FKAF O=C(O)c1noc(-c2ccccc2)c1-c1cccc(-c2cccc(O)c2)c1 1857753814 HDBQZCCNZOGXEE-UHFFFAOYSA-N 357.365 5.079 0 1 FKAF C[C@@H]1CC=C[C@](C)([C@@H]2CCC[C@@H](Cc3cc(O)cc(CCCO)c3)C2)C1 2356469213 DVJZTXYZOKNCCM-PDXXHEQOSA-N 356.550 5.658 0 1 FKAF Nc1cccc(-c2nc3ccccc3n2Cc2ccc(C(F)(F)F)cc2)c1 2382241715 SNCHRXQDPOACHD-UHFFFAOYSA-N 367.374 5.353 0 1 FKAF O=S1(=O)CSc2ccc3ccccc3c2-c2c1ccc1ccccc21 1622962 ADYOKLQZMXCGOP-UHFFFAOYSA-N 362.475 5.497 0 1 FKAF CCOc1ccc(NC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)cc1 4908670 MVYVFSRIGJDINK-UHFFFAOYSA-N 366.804 5.285 0 1 FKAF CCCCCc1cc(O)c2c(c1)O[C@](C)(CNCC)[C@@H]1CC=C(C)C[C@@H]21 29240287 QJMMJXMZDSBPMX-DNVFCKCGSA-N 357.538 5.325 0 1 FKAF CC[C@H]1CCC[C@@]23CCN(CC4CCC4)[C@@H](Cc4ccc(OC)cc42)[C@H]13 29477559 KAOWEHFUQIEFQN-ZQAWKMMESA-N 353.550 5.190 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CSC1 33827331 DCQGVPCGLNZXKV-LSDHHAIUSA-N 360.563 6.384 0 1 FKAF CC(=C/C(=O)O)/C=C/[C@@H]1C[C@]1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C 34008855 HMDVFKHLXNHBGR-JAWMLWDISA-N 366.545 6.209 0 1 FKAF O=C1c2ccccc2C2=Nc3ccccc3S[C@@]12c1ccc(Cl)cc1 84714373 WNEAHYLTBGEQGA-OAQYLSRUSA-N 361.853 5.658 0 1 FKAF NCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 90609455 MGMJUEUQRDUHLF-UHFFFAOYSA-N 359.945 5.478 0 1 FKAF Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(Cl)cc1)c1nccs1 103244917 CKYVDHZHFCZJBC-GOSISDBHSA-N 353.878 5.788 0 1 FKAF COc1c2ccoc2c(OC/C=C(/C)CCC=C(C)C)c2oc(=O)ccc12 104967666 CTPXXQMJFXTTQZ-GDNBJRDFSA-N 368.429 5.619 0 1 FKAF CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2[C@@H](C)c2ccccc2)s1 206865161 CNNUXIFAUGMLRE-YCRPNKLZSA-N 362.498 5.638 0 1 FKAF CC(C)=CCC/C(C)=C\CC/C(C)=C\COc1ccc2oc(=O)ccc2c1 221612861 JAASWVRGXJPPHR-JGFVCGRDSA-N 366.501 6.591 0 1 FKAF CC1(C)CCC(C)(C)c2cc(N[N+](=O)c3ccc(C(=O)O)cc3)ccc21 377364995 IMCSNPAKGZYTSW-UHFFFAOYSA-O 353.442 5.171 0 1 FKAF CC(C)c1cc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(O)c(C(C)C)c1 586896151 IACNTLAFBATELJ-UHFFFAOYSA-N 351.494 5.875 0 1 FKAF CC(C)(C)c1cccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005863 WUANYWCIHKXCNP-UHFFFAOYSA-N 364.674 5.338 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(Cl)nc(Cl)c2[nH]1 587062910 YDHPGHNFOIIIPD-JTQLQIEISA-N 356.640 5.448 0 1 FKAF Cc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1F 587065325 XQCZXNIGWFCVPV-UHFFFAOYSA-N 356.784 5.503 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H](CCC(=O)O)CCC4)-c1ccccc1C2=O 587101968 XXPBEUKDPUIJOJ-CQSZACIVSA-N 371.436 5.039 0 1 FKAF Cc1cc(C)c2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 587137854 ONWAGUPHFBPGDQ-UHFFFAOYSA-N 353.622 5.402 0 1 FKAF CC(C)Oc1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587145211 IDYJTPPHXAFIEF-UHFFFAOYSA-N 360.432 5.747 0 1 FKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(F)c(F)c(F)cc3[nH]2)cc1 587159305 XKAHQIDVQJHCAE-UHFFFAOYSA-N 370.305 5.266 0 1 FKAF Nc1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c2ccccc2c1 587251344 DKWHDSMGDLSESW-UHFFFAOYSA-N 365.436 5.544 0 1 FKAF CC(C)(C)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357531 UWQXIWGSUQKPEG-UGKGYDQZSA-N 356.437 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)[nH]c1ccccc13)O2 587397107 SEMPDUBFBPSYLO-HSZRJFAPSA-N 356.425 5.092 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)cc1C)CC2=O 587463838 CTHCQPNSYUKMPM-SFHVURJKSA-N 364.363 5.378 0 1 FKAF CC(C)(C)c1ccc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520923 BHSAAZPXVJQHFF-FQEVSTJZSA-N 362.513 5.830 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]1CCCC[C@@H]12 587601675 FIMPKSFVDKCJSB-GOBMRGAHSA-N 364.441 5.083 0 1 FKAF C=Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587815788 QFIZMNHLOZXIRT-BUXKBTBVSA-N 360.270 5.029 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2coc3ccccc23)N1 587827570 KOWYKHLZVHNNAG-WLRWDXFRSA-N 374.253 5.132 0 1 FKAF O=C(c1cc2c(Cl)cccc2s1)n1nc2cc1Oc1ccc(F)cc1-2 587877139 YXNUURJVKLULOV-UHFFFAOYSA-N 370.792 5.352 0 1 FKAF Cc1ccc(-c2csc(-c3ccc(SC(C)(C)C)cc3)n2)cc1C 587920445 HTLAALZHTXXKLS-UHFFFAOYSA-N 353.556 6.985 0 1 FKAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4cccc5ncccc45)cc32)[nH]1 653671299 YMBOMFAUKJYNEZ-MOSHPQCFSA-N 365.436 5.339 0 1 FKAF Oc1ccc(-c2cc(-c3cccs3)cc(-c3cccc(Cl)c3)n2)cc1 653731252 RMQLOLIZDXYDPK-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF FC(F)(F)c1ccc([C@H]2Nc3cccnc3[C@H]3c4ccccc4C[C@@H]23)cc1 653738038 DNRLGTBEUUQSIW-YZGWKJHDSA-N 366.386 5.571 0 1 FKAF Cc1ccccc1-c1cccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c1 963105174 HMBXQLBJZMKRJV-QFIPXVFZSA-N 368.307 6.204 0 1 FKAF Cc1c(-c2ccc(N3CCCCCC3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772597548 RSOPLBAETRYNAJ-UHFFFAOYSA-N 368.427 5.162 0 1 FKAF Cc1ccc2nc(-c3ccc(Cl)cc3)cc(COCc3ccccc3)c2c1 1857592854 UYPSTONMEKGXEL-UHFFFAOYSA-N 373.883 6.580 0 1 FKAF O=Cc1ccc(-c2cncc(OCc3ccc(Cl)cc3Cl)c2)s1 1857773668 NGKZOGSLFDHZKB-UHFFFAOYSA-N 364.253 5.508 0 1 FKAF CCCCCC=CC=CCCCCCCCCc1cccc(O)c1C(=O)O 2356662595 YEMBMEOYBBHCGI-UHFFFAOYSA-N 372.549 7.056 0 1 FKAF Clc1cccc([C@H](Cn2ccnc2)OCc2nc3ccccc3s2)c1 2382218504 LGYOTGVBFVXZBT-KRWDZBQOSA-N 369.877 5.104 0 1 FKAF FC(F)(F)c1ccccc1CN1CCCc2nc(-c3ccccc3)ccc21 199726722 JDVWHJMQBJRLFT-UHFFFAOYSA-N 368.402 5.720 0 3 FKAF C=C(c1ccccc1)c1ccc(CN(C)Cc2cccc3ccccc23)cc1 6437548 XFBVXOBXOQMAFI-UHFFFAOYSA-N 363.504 6.533 0 1 FKAF O=C(c1ccccc1)c1c(Nc2ccc(Cl)cc2)[nH]c(=O)c2ccccc12 6694636 OIADRYAAVMILAC-UHFFFAOYSA-N 374.827 5.156 0 1 FKAF CC[C@H](C)c1ccc(N2CCCN(c3ccc([C@@H](C)CC)cc3)C2=N)cc1 13780647 PUGLCELYQWRJRC-OALUTQOASA-N 363.549 6.365 0 1 FKAF O=C(O)CCCCCCCCC/C=C(/c1ccccc1)c1cccnc1 26740727 XIYFMEOWONPLQF-JWGURIENSA-N 351.490 6.109 0 1 FKAF CCCO[C@@]1(C)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 40940517 ROTGUZAGDFZNBG-VVWHIOSLSA-N 360.582 6.030 0 1 FKAF CC(C)(c1ccccc1)c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1 40979698 WRPLLIGFYQLTCL-UHFFFAOYSA-N 373.279 6.398 0 1 FKAF COc1ccccc1Nc1nc(-c2cccc(F)c2)nc2ccc(F)cc12 72142397 DQKDEIVISOEDCY-UHFFFAOYSA-N 363.367 5.327 0 1 FKAF Cc1[nH]c2ccccc2c1[C@H](Sc1ccccc1)c1ccccc1Cl 84689731 YUPCEFFCHQWZDR-JOCHJYFZSA-N 363.913 7.011 0 1 FKAF Cc1cc2c(cc1-n1ccc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C 95591740 VQOPKHQLHMCHMC-UHFFFAOYSA-N 361.485 5.986 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@]45C[C@@H]4[C@@H](O)CC[C@]35C)[C@@H]1CC=C2c1cccnc1 141016359 GKUYVJJRTHIXJZ-BHTOMAEBSA-N 363.545 5.479 0 1 FKAF c1ccc2c(c1)CN(CCCN1c3ccccc3Sc3ccccc31)C2 299830873 YMTQSEYVZFTIHT-UHFFFAOYSA-N 358.510 5.695 0 1 FKAF FC(F)(F)Sc1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586883616 CPOZZEFROCJKMB-KSSFIOAISA-N 360.404 5.546 0 1 FKAF CCc1oc2ccccc2c1-c1nc2ccc(Br)c(C)c2[nH]1 586904364 TUIWJMNZOJHQCC-UHFFFAOYSA-N 355.235 5.609 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Cl)cc(C)c2[nH]1 587010895 FMTDCTUNULPEEO-UHFFFAOYSA-N 353.878 5.547 0 1 FKAF Oc1ccc2scc(-c3nc4ccc(Br)c(F)c4[nH]3)c2c1 587033527 WSKTVXVAVNMJHA-UHFFFAOYSA-N 363.211 5.052 0 1 FKAF Cc1ccc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1C(F)(F)F 587095261 TYTKXUIBXASUFN-UHFFFAOYSA-N 358.285 5.500 0 1 FKAF CCCCC(CCCC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107362 RKAHCNCNTIXFST-UHFFFAOYSA-N 357.497 6.910 0 1 FKAF CSc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587159690 SZZHAJMNANTEAB-UHFFFAOYSA-N 374.444 5.430 0 1 FKAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)o1 587349832 GBCXQQVKELROGQ-IRLDBZIGSA-N 366.388 5.015 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc([C@@H](C)OCC)cc1)CC2=O 587478834 HJQUZPHPLJEUPA-CMJOXMDJSA-N 368.473 5.323 0 1 FKAF COc1cc(Cl)cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587504601 XDNRGYQUONBXDZ-OAQYLSRUSA-N 356.849 5.108 0 1 FKAF CC[C@@H](C)c1ccc(OC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524890 NHWXWRDNAQOYKR-CMJOXMDJSA-N 364.485 5.794 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)cn2)[nH]c2ccc([C@@H](C)CC)cc12 587640781 JHTZRQUMIWPWJE-LBPRGKRZSA-N 356.853 5.574 0 1 FKAF Cc1cccc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 587801922 IGISFPWEEDHPIQ-WYRIXSBYSA-N 373.269 5.002 0 1 FKAF CC(C)=CC1(C=C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814906 JCWKLQKNSGHZOE-ZDUSSCGKSA-N 352.291 5.250 0 1 FKAF CC(C)C[C@H](C)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815151 ZAKZITGBXFEONX-ZJNRKIDTSA-N 356.323 5.410 0 1 FKAF C/C(=C\c1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587817418 BVLWSMRKQOFGER-WUVBCLAESA-N 360.270 5.267 0 1 FKAF CSc1ccc(-c2csc(-c3cccc(Cl)c3Cl)n2)cc1 587926285 WVXQHUYTZFNZDW-UHFFFAOYSA-N 352.311 6.506 0 1 FKAF Cc1c(F)ccc2c1[C@H](c1c(-c3ccco3)oc3ccc(O)cc13)NCC2 962143817 JHYYGPCDUBUEME-OAQYLSRUSA-N 363.388 5.081 0 1 FKAF CCCC[C@@]1(Cc2ccco2)c2ccsc2CCN1Cc1cccnc1 962991655 DRCUPMGYHUMYGI-JOCHJYFZSA-N 366.530 5.423 0 1 FKAF CC[C@]1(c2cccc(C(F)(F)F)c2)NCCc2c(Cl)cc(Cl)cc21 963115364 VZWHFFVCZINLRO-QGZVFWFLSA-N 374.233 5.812 0 1 FKAF Oc1nc(-c2ccccc2)c2cc(-c3ccc(C(F)(F)F)nc3)ccc2n1 1772578268 HAKJHBFYEQZSJD-UHFFFAOYSA-N 367.330 5.083 0 1 FKAF CC(C)=CCCC(C)=CCC[C@@]1(C)Oc2cc(C)c(C=O)c(O)c2C[C@H]1O 2356325537 YKPVOJYAYMWOJZ-FYYLOGMGSA-N 372.505 5.041 0 1 FKAF CC=C(C)C(=O)Oc1c(CC=C(C)C)cc(C(C)=O)cc1CC=C(C)C 2356411930 BXENSVBWXKDKHS-UHFFFAOYSA-N 354.490 5.778 0 1 FKAF CCC=CCC=CCC=CCCCCCCCCCc1cc(O)cc(O)c1 2356418472 KKVVRYFZFGBRPM-UHFFFAOYSA-N 370.577 7.620 0 1 FKAF O=C(Nc1cc(F)cc(F)c1)O[C@H]1CCC12CCC(c1ccccc1)CC2 205706978 NOMKFHRDWZJBAX-BRFBUHTJSA-N 371.427 6.020 0 3 FKAF Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(C)c1ccccc1 13862491 GGJKZQAMPQKPKF-UHFFFAOYSA-N 352.437 5.487 0 1 FKAF Cc1c(OCc2ccc(Cl)c(Cl)c2)cccc1C1CCNCC1 40937075 QPXKAMQOXFPFPC-UHFFFAOYSA-N 350.289 5.348 0 1 FKAF CCCCCCOc1ccc(C(=O)CCN2C[C@H]2C)c(Cl)c1Cl 42921844 QPYPZIGCECYCFX-ILRUXTBWSA-N 358.309 5.229 0 1 FKAF CCCCCn1cc(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 72142280 XJFXPWICKZLUQA-UHFFFAOYSA-N 367.492 6.730 0 1 FKAF CCCCCNc1ncnc2c1nc(C1CCCCC1)n2CCCCC 82186508 HJYGVOYHDIJDCY-UHFFFAOYSA-N 357.546 5.666 0 1 FKAF CCCC[C@H](COc1ccc(C(=O)OCC)cc1)Oc1ccccc1C 90427266 BPCMKNSIRUNMDX-HXUWFJFHSA-N 356.462 5.188 0 1 FKAF CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(-c2ccccn2)cc1 95589971 KYRYWHJFMUOVRI-NDENLUEZSA-N 371.411 5.690 0 1 FKAF O=C1NC(=O)/C(=C/c2ccc(OCCC3CCCCC3)cc2Cl)S1 96282311 DTIJCEKDYNVTSI-YBEGLDIGSA-N 365.882 5.013 0 1 FKAF COc1cc(OC)c2cc(CN[C@H](C)c3cccc4ccccc34)[nH]c2c1 200339357 BFVSPBVBARMDKY-OAHLLOKOSA-N 360.457 5.189 0 1 FKAF Fc1ccc(C/C=C/c2sc3ncccc3c2-c2ccc(F)cc2)cc1 299829751 RVQYQAZHKWCMBK-ORCRQEGFSA-N 363.432 6.497 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586878229 FMTVNBSZNCZURK-UHFFFAOYSA-N 368.415 5.530 0 1 FKAF O=C(O)c1ccccc1/C=C/c1nc2ccc(Oc3ccccc3)cc2[nH]1 586878261 BURWYPOHEKLKIC-JLHYYAGUSA-N 356.381 5.224 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 586895940 CQKOXRBIUNVHEG-UHFFFAOYSA-N 354.331 5.621 0 1 FKAF Cc1ccc(SCc2nc3cc(Br)cc(F)c3[nH]2)c(C)c1 586964221 ZDAPBBYOBOZJHF-UHFFFAOYSA-N 365.271 5.374 0 1 FKAF CCCCCCOc1ccc(Br)cc1-c1nc2cccnc2[nH]1 586981697 LWAWIXOIXDNHAY-UHFFFAOYSA-N 374.282 5.347 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CCCC[C@@H]1C3 586989879 GNWVAKPUBPYZRI-KGLIPLIRSA-N 355.437 5.057 0 1 FKAF CC(=O)c1ccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2c1 587002735 CVDDZTWBOKLXPR-UHFFFAOYSA-N 369.218 5.250 0 1 FKAF COc1cc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1C 587014907 TXZMDNYVRBTEGJ-UHFFFAOYSA-N 369.877 5.632 0 1 FKAF CC(C)(C)c1cccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587047671 ADNRJVYOSPJYLG-NEPJUHHUSA-N 359.300 6.438 0 1 FKAF Cc1cc(Br)c2[nH]c(-c3cc(Cl)nc4ccccc34)nc2c1 587084564 CFHDNPBUYFBRJG-UHFFFAOYSA-N 372.653 5.502 0 1 FKAF Nc1ccc(-c2ccc3nc(-c4c(Cl)[nH]c5ccccc45)[nH]c3c2)cc1N 587087723 OFFPYGIQGSHWFK-UHFFFAOYSA-N 373.847 5.196 0 1 FKAF O=C1c2ccccc2-c2cc([C@H]3C[C@H]3c3ccc(F)cc3)nc3cccc1c23 587103991 LTRFNXJHHJWAGC-PMACEKPBSA-N 365.407 5.856 0 1 FKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc3ncccc3c2[nH]1 587151497 ZFJSKFPGDOGRFL-QFIPXVFZSA-N 368.415 5.452 0 1 FKAF Cc1cc(Cl)cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587162942 DBFMAHVPPZBEDE-YBEGLDIGSA-N 368.864 6.314 0 1 FKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587195478 KOSPJNKSAMGLIM-MRXNPFEDSA-N 369.468 5.012 0 1 FKAF COc1cccc(-c2cc(-c3nc(C)co3)nc3c2oc2ccccc23)c1 587364283 SIAYFUDGMNQUED-UHFFFAOYSA-N 356.381 5.620 0 1 FKAF COc1cc2c3c(c1)O[C@](c1ccc(C(C)(C)C)cc1)(C(C)C)[C@@H](C2)C3=O 587444910 XBRCJQFGNZMTRG-CYFREDJKSA-N 364.485 5.292 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)cc1)CC2=O 587463659 CDJHNOZXGBJUKM-KRWDZBQOSA-N 350.336 5.070 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(C(C)(C)C)CC2=O 587467755 RFEWFUIOVJOEAX-JOCHJYFZSA-N 356.437 5.391 0 1 FKAF O=C(c1ccc(F)cc1)c1c(-c2ccc(F)cc2)[nH]c2cc(F)ccc12 587634509 IDMNXKPZCOEHHS-UHFFFAOYSA-N 351.327 5.483 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(Cc3ccc(Br)cc3)c2c1 587638724 JAZJQICKEZITKU-CYBMUJFWSA-N 356.307 6.343 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2cccs2)N1 587853372 QJLWKIMUTNFXCG-ULHHMQLCSA-N 366.299 5.113 0 1 FKAF CCCCOc1cc2nc([C@@H]3CC=CC[C@H]3C)[nH]c2cc1Br 587967863 UHKOVFJKJJAERC-CHWSQXEVSA-N 363.299 5.574 0 1 FKAF Brc1ccc([C@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1 653793942 NDROYKVENXUMAB-SFHVURJKSA-N 369.306 6.038 0 1 FKAF CC(C)Sc1ccc([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)cc1 963102567 DGQLBWHHZKVKQY-IBGZPJMESA-N 366.357 5.903 0 1 FKAF C[C@@]1(c2ccc(SC(F)F)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963104771 MGLDCKSDWOZCGY-OXQOHEQNSA-N 363.448 5.424 0 1 FKAF CC(C)(C)C[C@]1(c2ccc(Cl)c(F)c2)NCCc2cccc(Cl)c21 963390340 HSPKDWKCESGZJX-HXUWFJFHSA-N 366.307 5.958 0 1 FKAF Fc1ccccc1CC[C@@H]1CN(Cc2ccc(Cl)cc2)CCC1(F)F 1772623261 FLFHHDGNNFZBKO-QGZVFWFLSA-N 367.842 5.569 0 1 FKAF Cc1cnc(Nc2ccc(F)cc2)nc1Nc1nc2ccccc2s1 1857603251 ZEKBQWUMWYUVOD-UHFFFAOYSA-N 351.410 5.021 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(F)cc3)nc3c2Cc2ccc(O)cc2-3)cc1 1857617912 NXMJCHGZGBQORI-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF C[C@H]1CC(C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)C[C@H](C)C1 1857653112 RRKUGRDUAQAPQQ-NXEZZACHSA-N 356.413 5.326 0 1 FKAF Fc1cccc(Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)c1 95569828 CYDAIWKHEPMFDI-UHFFFAOYSA-N 371.242 6.038 0 3 FKAF CC(C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(C(C)C)cc1 773729 NPJJWKMCKAMHTN-UHFFFAOYSA-N 366.436 5.409 0 1 FKAF CCCCc1ccc(-n2sc3ncc(-c4ccccc4)cc3c2=O)cc1 1654956 CPXKVJSIEUVWNW-UHFFFAOYSA-N 360.482 5.457 0 1 FKAF Cn1c(-c2ccccc2)c(CCc2ccccc2)c2cc(CC(=O)O)ccc21 26990926 WZQIEDOAGLXZGR-UHFFFAOYSA-N 369.464 5.258 0 1 FKAF CC(C)C[C@@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1CC[C@H]1C[C@H]2CC[C@@H]1C2 27209386 SGIBUXSDRUUCRC-KDQFFHPLSA-N 371.613 5.164 0 1 FKAF CCCCC[C@@H](O)/C=C/[C@H]1C2CCC(CC2)[C@@H]1C/C=C\CCCC(=O)O 27554468 UELHSVQUXBHNRV-XRKIFKOGSA-N 362.554 5.737 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@](C)(COP(=O)(O)O)CCC[C@]12C 28336158 MWCJYWGELHFGRI-SWBPCFCJSA-N 374.502 5.781 0 1 FKAF CC(C)[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1 28568244 LUDLDYBUCPLMCL-WDJPJFJCSA-N 351.534 5.259 0 1 FKAF C[C@H]1OC(=O)[C@@H]2C=C3CCCC[C@H]3[C@H](/C=C/c3ccc4ccccc4n3)[C@H]12 34802840 DFTOADVWCLCZHK-IXQGIAJXSA-N 359.469 5.172 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OC(C)=O 40632401 CNTKAIDEGOKLJP-MWJVALQUSA-N 362.510 5.758 0 1 FKAF Cc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(Cl)cc32)c1 40891763 JUCCYTSUCUSIEW-INIZCTEOSA-N 360.910 5.237 0 1 FKAF C[C@H]1CCc2c(cccc2Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)C1 53229835 KHVZYKZMWXINFJ-ZDUSSCGKSA-N 372.390 6.229 0 1 FKAF CCCCC(C)(C)[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 59529648 OXOAFCTVSCEACA-WFEAJIPZSA-N 366.542 5.140 0 1 FKAF FC(F)(F)c1cccnc1-c1ccc2nc(/C=C/C3CCCCC3)[nH]c2c1 73312327 TWWBGTVSOOPPOD-DHZHZOJOSA-N 371.406 6.237 0 1 FKAF O=C(Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1)NCc1ccccc1 95582798 HQFLYOOAIBAPQV-UHFFFAOYSA-N 369.386 5.231 0 1 FKAF CCCOc1cc2nc(C3(CCC)CCC3)[nH]c2cc1Br 586877795 PRXHHSHGQXZOHU-UHFFFAOYSA-N 351.288 5.336 0 1 FKAF Cc1ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2n1 587050946 NPECJXLJOLYGTO-UHFFFAOYSA-N 369.855 6.407 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(Cl)cc2[nH]1 587074166 RQZHJBIWMYRJGH-UHFFFAOYSA-N 353.252 6.512 0 1 FKAF Cc1ccc2c3c(c(C(C)C)c([C@@H]4CCCNC4)nc13)-c1ccccc1C2=O 587095842 BTBANLLFSVRTKO-MRXNPFEDSA-N 370.496 5.345 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]3c1cccc(Cl)c1 587104650 VYWHSNDCUARSML-GOSISDBHSA-N 367.835 5.788 0 1 FKAF Fc1cc(C(F)(F)F)ccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587108583 CVPSRWKMIHUHLH-UHFFFAOYSA-N 350.102 5.090 0 1 FKAF Cc1cnc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 587112713 YCQPNFVUXHWMLF-UHFFFAOYSA-N 373.300 5.089 0 1 FKAF COc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1C 587123637 FGVWQBZRYBIJAW-VMPITWQZSA-N 364.392 5.662 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C2CC2)CC3)c1 587366293 KOSBYZSJVZCNGH-MRXNPFEDSA-N 369.464 6.172 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccccc3C)cc1)O2 587400908 SIWNGPHYUUZQLK-QHCPKHFHSA-N 373.452 5.171 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(Cl)cc1)CC2=O 587462683 PYQVSUXVLNRXMZ-NRFANRHFSA-N 358.865 5.355 0 1 FKAF CC[C@H](C)c1ccc([C@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522568 IYKXVPZWXAQYEO-GKVSMKOHSA-N 362.513 6.350 0 1 FKAF CC(C)[C@H]1CC[C@H](C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603104 KXIBBLGOUODVPA-PGRWBUPISA-N 366.457 5.185 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(O)cc3)c2c1 587642517 SZUSMLLOPKBQJT-NSHDSACASA-N 361.363 5.637 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](C)C2CCCCC2)N1 587811901 IFDIGVDBORLFBZ-VLXJIEOASA-N 368.334 5.554 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587831357 XBHVTBWTJPSLLJ-PITQQHRWSA-N 368.334 5.410 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(F)cc1 587853991 CNTMPHRTIKCTEC-UHFFFAOYSA-N 351.208 5.384 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1C(=O)c1cccc(Br)c1 963237624 YKJBYCSXXDAQEM-IFXJQAMLSA-N 372.306 5.030 0 1 FKAF Cc1ccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc43)c2)cc1 1857537505 FFDAGUGGXBAKRV-UHFFFAOYSA-N 363.484 5.487 0 1 FKAF COc1ccc(-c2c(OC)cc(-c3ccccc3)c(OC)c2OC)cc1 1857639000 WCTFDPFXPSTRGM-UHFFFAOYSA-N 350.414 5.055 0 1 FKAF C=Cc1ccccc1[C@H](CCCC)C(=O)c1ccc(OCCN(C)C)cc1 1911580674 ZZZXTLPGKCMAEE-QHCPKHFHSA-N 365.517 5.427 0 1 FKAF Cc1ccc2nc(-c3ccc(Cl)cc3)c(Cc3cccc(Cl)c3)n2c1 95567146 DPDPRHOCEKQCQP-UHFFFAOYSA-N 367.279 6.207 0 3 FKAF O=c1c(-c2cccc(Cc3ccsc3)c2)c(O)[nH]c2cc(Cl)ccc12 13736678 UACGCNCLAOPGCQ-UHFFFAOYSA-N 367.857 5.206 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@H]21 13765597 MTNZVBITSPXYGO-VQTJNVASSA-N 370.577 7.251 0 1 FKAF CCCCCc1cc(O)c2c(c1C(=O)O)OC(C)(C)[C@H]1CCC(C)=C[C@H]21 14722871 VITZNDKHSIWPSR-HOTGVXAUSA-N 358.478 5.434 0 1 FKAF biogenic CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3cccs3)cc12 14945731 OHWRNDYMGTXPLT-UHFFFAOYSA-N 351.397 5.588 0 1 FKAF CC(C)(C)c1cc(-c2cc(-c3ccc(O)cc3)[nH]n2)cc(C(C)(C)C)c1O 26656912 SPQGGMJLWRHJLS-UHFFFAOYSA-N 364.489 5.750 0 1 FKAF C[C@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C1N=NN=N1 29468930 KHPJYJSWXIGNAZ-JTQLQIEISA-N 368.784 5.002 0 1 FKAF COc1ccc(-c2cc(-c3ccccc3)oc(=O)c2-c2ccc(O)cc2)cc1 40977156 BHLVYBHZWXTTRB-UHFFFAOYSA-N 370.404 5.355 0 1 FKAF C[C@](Cc1ccccc1)(C1=Cc2ccccc2CC1)[C@H](O)c1ccccc1 71341773 MFPYOOVWBRXSDG-FTJBHMTQSA-N 354.493 5.999 0 1 FKAF Cc1cccc2cc([C@H]3CC(c4sccc4Cl)=NN3)c(Cl)nc12 103213627 ADMQJUXQNKOWNT-CYBMUJFWSA-N 362.285 5.350 0 1 FKAF [C-]#[N+]c1cc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)ccn1 145587078 VSBFOGNJNAEOMT-UHFFFAOYSA-N 366.384 5.020 0 1 FKAF CC(C)c1nc2ccccn2c1C(=O)NCc1ccc(-c2ccccc2)cc1 169329382 DBHHTPPQTSVUFP-UHFFFAOYSA-N 369.468 5.055 0 1 FKAF CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@H](c2ccccc2Cl)C1 203671482 MRARYRMEBVUTLH-KRWDZBQOSA-N 356.853 5.392 0 1 FKAF CCNc1sc(NCC)c2ssssssc12 299868574 RURMHKXFBVXTSL-UHFFFAOYSA-N 360.667 6.383 0 1 FKAF CCCc1c(C(F)(F)F)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586992471 GEHOPVCJWZKJIN-UHFFFAOYSA-N 355.359 5.726 0 1 FKAF Cc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587047684 ALLIWKVRQJJTTA-UWVGGRQHSA-N 351.664 6.103 0 1 FKAF Clc1ccc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)ccc2Cl)cc1 587048071 PTICCHZZIFAETJ-UHFFFAOYSA-N 373.670 6.857 0 1 FKAF Clc1ccccc1CCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587058192 FMUCHXXPGWXQOK-UHFFFAOYSA-N 364.901 6.153 0 1 FKAF COc1cccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587129391 XRXDCBAMGDYRSG-UHFFFAOYSA-N 357.385 5.300 0 1 FKAF Fc1cc2[nH]c(-c3cc(Br)c(F)cc3F)nc2cc1Cl 587138084 VPHXHXRBRDZGOS-UHFFFAOYSA-N 361.548 5.063 0 1 FKAF CSc1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587163439 PPXQVIUNJXJTSY-UHFFFAOYSA-N 362.429 5.322 0 1 FKAF Fc1ccc2c(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)coc2c1 587173836 BCDQNFFJUBIVIW-UHFFFAOYSA-N 360.413 6.266 0 1 FKAF Cc1nc(-c2cccc(C(=O)c3coc4ccc(Cl)cc34)c2)cs1 587278778 KVOADYCXYOVMII-UHFFFAOYSA-N 353.830 5.749 0 1 FKAF CCC[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587370064 BBYSGXZWENJENJ-IBGZPJMESA-N 374.278 5.001 0 1 FKAF Cc1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587373300 IGZOUXPUJOUSNH-CTNGQTDRSA-N 368.429 5.176 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccccc3)c(F)c1)O2 587381360 HZRWCHYGDDNOED-QHCPKHFHSA-N 361.416 5.264 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccc3ccncc13)CC2=O 587461370 JWEDKMMLNADIIJ-LJQANCHMSA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C(F)(F)F)c1)CC2=O 587463912 DJTWTGQOPFAHLO-IBGZPJMESA-N 364.363 5.244 0 1 FKAF CC(C)(C)[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505900 QTOUXYWFJZKYBV-HSZRJFAPSA-N 352.449 5.611 0 1 FKAF CCc1ccc(-c2cnc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587515429 NRKDNFBATWAWOU-NRFANRHFSA-N 373.452 5.489 0 1 FKAF CCCc1ccc(OCC)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523670 LYLMXMZQNFFOME-HSZRJFAPSA-N 364.485 5.623 0 1 FKAF CC(C)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc(F)c(Cl)c12 587630039 PBUNCQABDHNYGY-UHFFFAOYSA-N 355.762 6.770 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cccc(Cl)c4[nH]3)c2)cc1O 587787252 SXHCSNRVZQGCIF-UHFFFAOYSA-N 350.805 5.265 0 1 FKAF Cc1cccc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 587801919 IGISFPWEEDHPIQ-JEOXALJRSA-N 373.269 5.002 0 1 FKAF CC(C)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587807457 CMSCGEWFCKRELR-KZULUSFZSA-N 356.323 5.410 0 1 FKAF CC(C)=CC[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587815978 RZEINKPKLDMHPH-XIKOKIGWSA-N 352.291 5.084 0 1 FKAF C[C@@]1(CCC(F)=C(F)F)NC2(CC2)Cc2ccc(Br)cc21 961325064 PIBPOZPXPGUKFE-HNNXBMFYSA-N 360.217 5.200 0 1 FKAF Cc1cccc([C@@]2(c3ccccc3C)c3ccc(F)cc3C[C@@H]3CCCN32)n1 963099763 PRERPOSBLVFUBA-SQJMNOBHSA-N 372.487 5.150 0 1 FKAF Cc1cc2nc(CO)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1 1857656900 DKROGFMMZXQANQ-UHFFFAOYSA-N 374.871 5.726 0 1 FKAF CCCCC[C@@H](O)C=CCCCCCCCc1cccc(O)c1C(=O)O 2356469632 VHQRJUBBALXICA-LJQANCHMSA-N 362.510 5.471 0 1 FKAF CC(C)=CCc1cccc2c([C@H](C=C(C)C)[C@H]3C=C=C=C=C=C[C@H]3N)c[nH]c12 2356471048 JCVMSAVEYTUMSJ-GZGNHOFSSA-N 368.524 5.860 0 1 FKAF CC(=CC[C@@H]1CNc2ccccc21)CCC=C(C)CC[C@H](O)C(C)(C)O 2356530587 GDIXRZCZAAMRNS-KNQAVFIVSA-N 357.538 5.171 0 1 FKAF CC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356732392 BWZMDPHOOVIMHX-JJJWLOGKSA-N 372.593 5.932 0 1 FKAF COc1cc(OC)cc([C@H](C)c2ccc3c(c2)Nc2ccccc2S3)c1 2382227539 ZLKSNNMGCWIXNB-CQSZACIVSA-N 363.482 6.064 0 1 FKAF CCO[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)c2c1cc(C(C)C)c(OC)c2O 13302686 MGAOUXBZMKOBML-BSRJHKFKSA-N 360.538 6.090 0 1 FKAF biogenic,in-vitro O=C(CCCCCCOc1ccc(-c2ccccc2)cc1)C(F)(F)F 13553311 LRVOZKXSFOOZRP-UHFFFAOYSA-N 350.380 5.814 0 1 FKAF in-vivo CCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NCC)c1 26943385 NOZSDSJXKFXOND-UHFFFAOYSA-N 370.497 5.315 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@](C)(COP(=O)(O)O)CCC[C@@]21C 28336153 MWCJYWGELHFGRI-LTFPLMDUSA-N 374.502 5.781 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(=C/COP(=O)(O)O)CC=C(C)C 28656269 WVVHHGHQAUECIR-PYPMKZSKSA-N 356.443 5.851 0 1 FKAF CCCCCCc1ccc(Oc2ccc(C)cc2CC(=O)O)c(Cl)c1 28765794 RMIKTMCPQWJUQD-UHFFFAOYSA-N 360.881 6.191 0 1 FKAF Brc1cc(Br)cc(-c2nc3ccccc3o2)c1 28964529 YSTYYRMWFJMZPX-UHFFFAOYSA-N 353.013 5.020 0 1 FKAF O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1cccs1 35271774 BNKLYJSZEYHAAG-UHFFFAOYSA-N 362.479 5.791 0 1 FKAF CN1CCCC[C@@H]1CCn1ccc2cc(NC(=N)c3cccs3)ccc21 72105995 OTUXXVUYACDOIA-GOSISDBHSA-N 366.534 5.015 0 1 FKAF CC1(C)C[C@](CCNc2ccc(Cl)c(F)c2)(c2ccccc2)CCO1 72110352 GVDDFRANKHNVIL-OAQYLSRUSA-N 361.888 5.808 0 1 FKAF Oc1ccc(O)c(-c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)c1 103289511 CIWXARNBSXBHLE-UHFFFAOYSA-N 362.816 5.271 0 1 FKAF OCCCCCCCCCCCCCCCCCCCCCCCO 114871303 FNXRYHQLYLSSPE-UHFFFAOYSA-N 356.635 7.163 0 1 FKAF biogenic Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3)c3ccccc3n2)cc1C 169341226 NDUZNXCFNNOKIT-UHFFFAOYSA-N 366.464 5.795 0 1 FKAF OCCCCCCCCCCCc1nc2cc(C(F)(F)F)cnc2[nH]1 586894466 HBMRQFGYLBXFKJ-UHFFFAOYSA-N 357.420 5.022 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc4ccccc4cn3)nc3ccc(O)c1c23 586988706 WTWUTPHUJGODNX-UHFFFAOYSA-N 374.399 5.367 0 1 FKAF O=C1c2ccccc2-c2cc(CSc3ccccc3)nc3ccc(O)c1c23 586994176 OQHDPVGMJCWJGT-UHFFFAOYSA-N 369.445 5.444 0 1 FKAF Fc1cc2nc(-c3ccc(-c4nccs4)s3)[nH]c2cc1C(F)(F)F 587024085 VAXVCUWXEQNERJ-UHFFFAOYSA-N 369.368 5.573 0 1 FKAF COc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1Cl 587062225 GBGACEKERXVFBT-UHFFFAOYSA-N 360.200 5.200 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cccc(C)c4[nH]3)c(F)c2)c(F)c1 587153296 YDDAEPCAVYIWOC-UHFFFAOYSA-N 350.368 5.492 0 1 FKAF CC(C)(C)c1cccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587229556 HZFNZFPDQXDMQU-UHFFFAOYSA-N 356.473 5.535 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2cc(Cl)ncc2[nH]1 587240921 LGMYRMPLJONHOV-UHFFFAOYSA-N 350.809 5.031 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2[nH]ccc2CC3)c1 587363965 VAGNTRCBPMIIKP-UHFFFAOYSA-N 366.420 5.750 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C2CCC2)C3)c1 587367858 YHFNOUMFLBYGBI-SFHVURJKSA-N 355.437 6.096 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c3c(C)ccc(C)c13)CC2=O 587479468 CCWKROGZAMTUHT-IBGZPJMESA-N 363.457 5.458 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1C1CCCCC1)CC2=O 587481660 NFEJQHLZVQVPBQ-QHCPKHFHSA-N 364.485 6.099 0 1 FKAF CCCc1c(O)ccc2c1OC(c1ccccc1)(c1ccccc1)CC2=O 587489218 NOGBUBIFBXNOAL-UHFFFAOYSA-N 358.437 5.254 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]1CCCC[C@H]12 587601677 FIMPKSFVDKCJSB-NPDZVAPOSA-N 364.441 5.083 0 1 FKAF CCN(c1ccccc1C)c1c(Cc2ccccc2)[nH]c2cc(F)ccc12 587635746 QRSREGHTEWOQSQ-UHFFFAOYSA-N 358.460 6.364 0 1 FKAF CC[C@]1(CCCC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814532 TXTSYLJAVNEWLI-FZKQIMNGSA-N 356.323 5.554 0 1 FKAF Cc1cccc(C2CC3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)c1 587817307 JUVURBFTQZKASI-CETSPDHXSA-N 374.297 5.204 0 1 FKAF CC(C)[C@@]1(C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587819322 LSWHUGYVDYHTMU-DJJJIMSYSA-N 368.334 5.554 0 1 FKAF Fc1ccc(-c2csc(COc3cccc(OC(F)(F)F)c3)n2)cc1 587921857 CLFZRYMGVPJICJ-UHFFFAOYSA-N 369.339 5.427 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(Cl)c(C)c4[nH]3)c2)c1 587933232 VJKNXCSPIPNUQO-UHFFFAOYSA-N 364.832 5.573 0 1 FKAF COc1ccccc1-c1nnc(Nc2ccc(Cl)c(Cl)c2)s1 653737385 LJGVCEXUOBFNCI-UHFFFAOYSA-N 352.246 5.264 0 1 FKAF FC(F)(F)c1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cn1 962660014 BYGQVPABGUZHFK-HXUWFJFHSA-N 354.375 5.003 0 1 FKAF CC(C)[C@@]1(c2ccc(Cl)s2)NCCc2cc(-c3ccccc3)ccc21 962667802 MFVJPKHJOUNHMN-JOCHJYFZSA-N 367.945 6.114 0 1 FKAF Clc1cccc(-c2cc(-c3ccsc3)c3oc4ccccc4c3n2)c1 1772587992 IIYXQFDHPDYYML-UHFFFAOYSA-N 361.853 7.030 0 1 FKAF COc1ccc(F)cc1-c1cc[nH]c2nnc(-c3ccc(Cl)cc3)c1-2 1857598318 BNHUEWKNRYUQJR-UHFFFAOYSA-N 353.784 5.045 0 1 FKAF O=C(O)c1noc(-c2ccccc2)c1-c1cccc(-c2ccc(O)cc2)c1 1857755697 QSBOZQWNPQOIPA-UHFFFAOYSA-N 357.365 5.079 0 1 FKAF CCO[P@](=O)(CC)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 1911577339 YYBFEFRSPAEKQD-AREMUKBSSA-N 365.369 5.608 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 2356396004 YEJNIBFGDXBKPG-CHTWLVHHSA-N 352.562 6.713 0 1 FKAF CC(=CCOc1ccc2c(c1)OCC=C2)CCC1=C(C)CC[C@H](O)C1(C)C 2356477533 YZRYPZNIUFMRAE-QHCPKHFHSA-N 368.517 5.695 0 1 FKAF CC1(C)OC[C@H]([C@]2(C)CC[C@@]3(C)[C@@H]4CCC[C@@](C)(CO)C4=CC[C@@H]3C2)O1 2356745244 NHRGVCNVNSXKEO-NBDFQUPPSA-N 362.554 5.079 0 1 FKAF COc1ccc(CN2CC[C@H]3C[C@H]2c2cc(-c4cccc(C)c4)ccc23)cc1 102837043 JAFOOEBCAFRBFR-NVQXNPDNSA-N 369.508 6.105 0 3 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1ccoc1 15222663 MMBGEJBNENOQLD-CTXABYMZSA-N 354.578 8.358 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC[C@H](O)CCC(=O)O 28331682 MIISBKYGRNQQRI-GABUGCEHSA-N 360.538 6.134 0 1 FKAF Cc1[nH]c(=O)n(C2CCCCC2)c1-c1ccc(OCc2ccccc2)cc1 29128388 HLDURFFFVVYHDZ-UHFFFAOYSA-N 362.473 5.236 0 1 FKAF Clc1ccc([C@H](Cc2c(Cl)cccc2Cl)Cn2ccnc2)cc1 33493877 ASNBFWBLEFAXFH-CQSZACIVSA-N 365.691 5.870 0 1 FKAF CCCN(C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 36242011 NJUNLFLTZKMXMQ-NJESZQPCSA-N 371.565 6.085 0 1 FKAF Cc1ccccc1Nc1oc(-c2ccccc2)nc1/C=C/c1ccccc1 36381633 CXMOGNBPOSKCFY-WUKNDPDISA-N 352.437 6.564 0 1 FKAF CCN(CC)CCCCCCSc1ccnc2cc(Cl)ccc12 45495545 FGCWZULUQUPSIC-UHFFFAOYSA-N 350.959 5.883 0 1 FKAF CCCCCNc1ncnc2c1nc(-c1cccs1)n2CCCCC 82186623 AJMIVTOIWBOGAF-UHFFFAOYSA-N 357.527 5.347 0 1 FKAF Fc1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3sccc23)cc1 84617363 HSBXTJAEFSRBOW-UHFFFAOYSA-N 361.405 5.117 0 1 FKAF CC(C)C[C@@H]1CN2C(=NC[C@H]2C2CCCCC2)N1CC[C@@H]1C[C@@H]2CC[C@@H]1C2 101217934 SGIBUXSDRUUCRC-KNQBKSORSA-N 371.613 5.164 0 1 FKAF CC(C)=CCC/C(C)=C\CN1C(=O)[C@@]2(C[C@H](C)C[C@@H](C)O2)c2ccccc21 195344714 FCLSDSXDBAGLFT-NDVGCYBUSA-N 367.533 5.756 0 1 FKAF CCc1ccc(-c2nc(-c3nc4c(F)cnc(Cl)c4[nH]3)cs2)cc1 587015711 IUHDQPQWKOBUII-UHFFFAOYSA-N 358.829 5.103 0 1 FKAF Clc1ccccc1-c1ccc(Cc2nc3cnc4ccccc4c3[nH]2)cc1 587062136 CGJRMDWXEVYLNK-UHFFFAOYSA-N 369.855 6.022 0 1 FKAF CC(C)Oc1cc2[nH]c(-c3ccc(Cl)cc3)nc2cc1Br 587068634 DEZBKHFLDGEOIY-UHFFFAOYSA-N 365.658 5.433 0 1 FKAF Cc1cccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587073692 MZDGSUCGOJYRPP-SILNSSARSA-N 372.899 6.698 0 1 FKAF CC(C)(C)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587078985 FCRHEGKDFFZWHL-MRXNPFEDSA-N 366.896 5.238 0 1 FKAF Cc1ccc2c3c(cc(C[C@H]4C[C@H]5CC[C@H]4C5)nc13)-c1ccccc1C2=O 587099463 JVNZYEKJADIBCJ-YESZJQIVSA-N 353.465 5.733 0 1 FKAF COc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1C 587148344 BMNWOIRFPFAQSH-OAQYLSRUSA-N 361.420 5.221 0 1 FKAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587169036 QYTVHTKJPUOSHU-CQSZACIVSA-N 364.445 5.993 0 1 FKAF Cc1ccc2c(c1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355542 VHJKOQMRFMHQSE-LADGPHEKSA-N 374.411 5.040 0 1 FKAF CC[C@H](C)[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587364841 DHEIWPIDDBVYBO-YJBOKZPZSA-N 371.480 6.733 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OC1CCCC1)O2 587378221 NBGGYMMTZYBVCS-FQEVSTJZSA-N 371.864 5.259 0 1 FKAF CSC(=C[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)SC 587409056 JUZUZYRMGDSCQF-HXUWFJFHSA-N 371.527 5.005 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4cccc(C)c4)c1)[C@@H](C2)C3=O 587445150 ILLMHCQWHPWDRD-RDPSFJRHSA-N 356.421 5.159 0 1 FKAF CC(C)(C)[C@@]1(CCC2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587523259 KNGVFIRZADOQIZ-XMMPIXPASA-N 354.534 6.286 0 1 FKAF C[C@@]1(CC23CC4CC(CC(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 587526683 WVIPTCGUOGTLHA-JGLGBSSYSA-N 364.529 5.896 0 1 FKAF Cc1coc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC(C)(C)C2 587529430 CDKJPSLRAIBVCZ-HSZRJFAPSA-N 350.458 5.300 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc2ccccc12 587616358 CDAJRYHFWRJRHK-DENIHFKCSA-N 374.417 5.310 0 1 FKAF COc1cccc(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)c1 587629323 KPEZEEUHQLFYKM-UHFFFAOYSA-N 353.727 5.138 0 1 FKAF Cc1ccccc1C1CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587816728 CEOKQGSLTAYFRF-LMVFOVOHSA-N 374.297 5.204 0 1 FKAF CCC1(C)CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587816889 FLVXUYREAKROLN-KAMYHZANSA-N 354.307 5.308 0 1 FKAF CC(C)[C@]1(C)CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587822843 MTCNVNPYCUGBFB-NXOUGTEYSA-N 354.307 5.164 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=CC[C@H]3C[C@@H]2C3(C)C)N1 587824145 UUNHCFBJULFAHY-ROYYDZJXSA-N 364.302 5.156 0 1 FKAF O=C(c1cc2c(ccc3ccccc32)o1)n1nc2cc1Oc1ccc(F)cc1-2 587875034 MDAYKNGEEIXLIV-UHFFFAOYSA-N 370.339 5.383 0 1 FKAF COc1cccc(-c2cccc(-n3c(O)cc(-c4ccccc4)c3O)c2)c1 587937525 MLEAOSSBSOWNGE-UHFFFAOYSA-N 357.409 5.231 0 1 FKAF Fc1cc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2cc1C(F)(F)F 587951723 YUSFTDFTEPYQQC-UHFFFAOYSA-N 368.374 5.206 0 1 FKAF CC[C@]1(Cc2nc3cccc(C(F)(F)F)c3[nH]2)CC(=O)c2ccccc2C1 587962657 YQBWOJIIMWPUKX-HXUWFJFHSA-N 372.390 5.350 0 1 FKAF COc1ccc(C(=O)CCC=C(C)CCC=C(C)CCC=C(C)C)c(O)c1 2356655264 DAXWWPPGHCJLNF-UHFFFAOYSA-N 370.533 6.783 0 1 FKAF CCCCC[C@H](C)CCC[C@@H](C)CCCC(C)=CCOP(=O)(O)O 2356817503 DLVQMADNSNPDGL-ZWKOTPCHSA-N 362.491 6.235 0 1 FKAF CC(C)c1ccc(NC(=O)Nc2nc([C@H](N)C3CCCCC3)cs2)cc1 61903175 AQSLRJWHQXZJDW-GOSISDBHSA-N 372.538 5.491 0 3 FKAF O=C(Nc1ccc(Cl)cc1)O[C@@H]1CCC12CCC(c1ccccc1)CC2 96019222 NNFYMVZYXLSZHX-LVKMRUPZSA-N 369.892 6.395 0 3 FKAF CCCCc1c(-c2ccccc2OC)ncn1Cc1cc(F)cc(F)c1 198627141 PUONIVLPOLPEFS-UHFFFAOYSA-N 356.416 5.228 0 3 FKAF CCCC[C@H]1[C@H]2C[C@H](OC(=O)Nc3cccc(F)c3)[C@@H](C2)[C@H]2CCCCN12 263590749 NLGXZKDMUNJFNH-JUHPOPGZSA-N 374.500 5.196 0 3 FKAF O=C(Cc1cccc2ccccc12)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 13493271 FBTHKQXPVQZGIG-UHFFFAOYSA-N 361.832 5.065 0 1 FKAF C/C=C(/C)C(=O)OCc1ccc(-c2ccc(-c3cccs3)s2)s1 14721944 VHSFAQBXEAXNTQ-BASWHVEKSA-N 360.525 6.215 0 1 FKAF CCCCNC1CCN(CCCC(c2ccccc2)c2ccccc2)CC1 28397979 TYMMXTVXWBPZQJ-UHFFFAOYSA-N 364.577 5.453 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)OC 33820583 FPVXVIYZKXLTPR-XYINJYGLSA-N 361.570 6.241 0 1 FKAF COc1cc(-c2cscc2-c2ccc(C)c(F)c2)cc(OC)c1OC 72107914 BTIGWCDXNLOTAD-UHFFFAOYSA-N 358.434 5.555 0 1 FKAF CC(C)=CCC/C(C)=C\CN1C(=O)[C@]2(OCCC=C[C@@H]2C)c2ccccc21 73096517 BBKUPXVFOVUPDN-MNWSPLHSSA-N 365.517 5.534 0 1 FKAF C(COC(c1ccccc1)c1ccccc1)=C1C[C@@H]2CC[C@H](C1)N2CC1CC1 73197853 CIGKREJTFJHTON-PLQXJYEYSA-N 373.540 5.756 0 1 FKAF FC(F)(F)c1ccc([C@@H]2c3ccsc3CCN2Cc2ccccc2)cc1 84756977 URCXMVDTQUZWAI-HXUWFJFHSA-N 373.443 5.915 0 1 FKAF Cc1cc(Oc2cccc(Cn3ncc4ccccc43)c2)cc(C)c1Cl 95583764 UUOLSNQQRGVZIQ-UHFFFAOYSA-N 362.860 6.147 0 1 FKAF Cc1ccc([C@H]2C[C@@H]3CC[C@@H]([C@@H]2c2cc(-c4ccccc4)no2)N3C)cc1 100985469 SSEYJTZXHQMBJU-JXKFMYIUSA-N 358.485 5.384 0 1 FKAF CC[C@H]1Oc2c(-c3ccc(O)cc3)c[nH]c(=O)c2[C@H]2[C@H](C)C[C@H](C)C[C@@]21C 137349563 ZUJBUMRATOLVJT-VIBJKCLASA-N 367.489 5.074 0 1 FKAF CC[C@@H](O)/C(C)=C/[C@H](C)[C@@H](O)/C(C)=C/C(C)=C/[C@@H](C)/C=C/c1ccccc1 169356786 YLFWWEOWHPOZJW-USSVPFCMSA-N 368.561 5.943 0 1 FKAF N=c1ccn(Cc2ccc(OC(c3ccccc3)c3ccccc3)cc2)cc1 169715809 PAVUZVNSWVEHPL-UHFFFAOYSA-N 366.464 5.184 0 1 FKAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2cccc(C)c2)c1 218322293 BURLJPOUNMYXJA-HSZRJFAPSA-N 370.452 5.521 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C(F)(F)F)CCC4)-c1ccccc1C2=O 586996055 PEANOJYZMLBQJR-INIZCTEOSA-N 367.370 5.737 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H](CCC(C)C)CC4)-c1ccccc1C2=O 587102130 YQCRKICKGTXUJE-INIZCTEOSA-N 355.481 6.221 0 1 FKAF CSc1ccc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587112023 CVSMZMGKCRZMIO-LLVKDONJSA-N 350.409 5.650 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587152277 LCNWVDGRPFDXNI-NXEZZACHSA-N 356.269 5.270 0 1 FKAF Cc1ccc(C2(C(=O)c3coc4ccc(Cl)cc34)CCCCC2)cc1 587275957 IMOAPWQBLPRYQC-UHFFFAOYSA-N 352.861 6.479 0 1 FKAF O=C(c1c(Cl)cccc1Br)c1coc2ccc(Cl)cc12 587276146 KUSPCWGIEFMQFF-UHFFFAOYSA-N 370.029 5.733 0 1 FKAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc1C 587359779 ZRHVUJKWOXXKBO-IRLDBZIGSA-N 366.388 5.015 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccc(C)cc3)c1)CC2=O 587480386 JUNVSVVJCIKXDA-XMMPIXPASA-N 372.464 6.027 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC(C)(C)c3ccccc31)CC2=O 587480525 LBVRREMWNHZSSF-HSZRJFAPSA-N 350.458 5.277 0 1 FKAF Cc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)c(C)o1 587628171 INYILKMGYVRACH-UHFFFAOYSA-N 359.706 5.582 0 1 FKAF CC[C@H](C)c1ccc2[nH]c([C@H]3CCCCN3C(=O)OC(C)(C)C)c(C)c2c1 587640501 ARIZATLDDLWRGB-MGPUTAFESA-N 370.537 6.452 0 1 FKAF CC1=CC(C)(C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587819629 WFEBDPKAHDIUAX-XIKOKIGWSA-N 352.291 5.084 0 1 FKAF CC[C@H](C)[C@@H]1CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587820357 ZWIPDMYWUCHFGV-NXKACYDGSA-N 354.307 5.164 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CCC2=C3CC[C@@H]4C=CCC[C@]4(C)[C@@H]3C=C[C@@]21C 2356621848 SDCFNOCWBVAGES-YCPKQXKHSA-N 354.534 6.153 0 1 FKAF COc1ccc2c(CCCCN3CC=C(c4ccccc4)CC3)c[nH]c2c1 13728616 PUZDYVQNYUCMKE-UHFFFAOYSA-N 360.501 5.289 0 1 FKAF CCCCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27556258 OBCLUYQALDBUAD-DJIMGWMZSA-N 360.519 5.228 0 1 FKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CSC1 33827329 DCQGVPCGLNZXKV-HUUCEWRRSA-N 360.563 6.384 0 1 FKAF O=C(Nc1ccc(Cl)cc1)c1ccsc1SCc1ccncc1 34095506 JCQTXXXCJLVILV-UHFFFAOYSA-N 360.891 5.341 0 1 FKAF CCC[C@H](O)CC[C@](C)(O)CC/C=C(\C)CCC1=C(C)CCCC1(C)C 40980364 QFNAZHJHBGQQAF-IMGQQDLPSA-N 364.614 6.712 0 1 FKAF CCO[C@@H](c1ccc2sccc2c1)[C@@H](SC(C)(C)C)n1ccnc1 45364722 IUJKCXJHRZUPQZ-ZWKOTPCHSA-N 360.548 5.906 0 1 FKAF O=C1CCN(Cc2ccccc2)C[C@@H]1C1c2ccccc2Oc2ccccc21 72112038 NQSXLEYZSLXMOS-NRFANRHFSA-N 369.464 5.015 0 1 FKAF COc1ccc(F)cc1-c1cc(NCc2cccc3ccccc23)ncn1 82160641 IJBXTGMGJOIMTE-UHFFFAOYSA-N 359.404 5.057 0 1 FKAF Cc1nc(-c2cnc(NCC3CCCCC3)nc2-c2ccccc2)oc1C 82162602 SIXCFDRDRZAREP-UHFFFAOYSA-N 362.477 5.408 0 1 FKAF CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1cccc(C(F)(F)F)c1 95586547 ARRWDFDNMPRNPJ-PXNMLYILSA-N 362.322 5.647 0 1 FKAF CCCOc1ccc(-c2cc(OCCCN(C)C)c3ccccc3n2)cc1 96271024 NQHIYAHLTDOYKH-UHFFFAOYSA-N 364.489 5.021 0 1 FKAF CCN(CC)c1cc(Br)ccc1OCc1ccc(Cl)cc1 103191708 NZZQQPKJDJEHGW-UHFFFAOYSA-N 368.702 5.528 0 1 FKAF Cc1cc(=S)c(O)c(C(=S)NCc2ccc(-c3ccccc3)cc2)o1 103237072 NBPZQJVTDZGEFC-UHFFFAOYSA-N 367.495 5.155 0 1 FKAF COc1cc2c(c(OC)c1)[C@@H](c1ccc(Cl)cc1)C1=C(O)CCCC1=N2 103638228 BERCNVNJBWOYBG-IBGZPJMESA-N 369.848 5.571 0 1 FKAF COc1ccc(-c2cc3cc(F)ccc3nc2[C@H](O)c2ccccc2)cc1 169312331 MVICIBSNMMIQOR-HSZRJFAPSA-N 359.400 5.131 0 1 FKAF Fc1cccc(Cn2ccc3c4cc(Br)ccc4nc-3c2)c1 377816834 VAAIIBFAUGAOSE-UHFFFAOYSA-N 355.210 5.091 0 1 FKAF Cc1ccc2c3c(cc(COc4ccccc4)nc13)-c1ccccc1C2=O 587098270 WPVJDDWKDBJTCK-UHFFFAOYSA-N 351.405 5.334 0 1 FKAF CCC[C@H]1CC(=O)Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587100660 NZYRXCSRJJUTCJ-AWEZNQCLSA-N 355.437 5.154 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4nc(Cl)c[nH]c-4n3)c(Cl)c2)cc1F 587145139 JAYHOJXOHGIGGC-UHFFFAOYSA-N 373.218 5.393 0 1 FKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1F 587152001 WKVJIHQLXHDMAS-IBGZPJMESA-N 370.786 5.663 0 1 FKAF CC(C)(C)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357526 UWQXIWGSUQKPEG-DENIHFKCSA-N 356.437 5.475 0 1 FKAF COc1cccc(-c2c(C[C@@H]3CCCO3)cnc3c2oc2ccccc23)c1 587366349 OEYUCRZLVJQVTQ-SFHVURJKSA-N 359.425 5.378 0 1 FKAF CCCCCC[C@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450505 MIUZWISZNQZBAN-AUSIDOKSSA-N 366.457 5.014 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(OC)ccc3s1)CC2=O 587492788 BYKRGSGDKGWALM-SFHVURJKSA-N 368.454 5.275 0 1 FKAF O=C1C[C@H](c2cc(-c3ccccc3F)no2)Oc2c1ccc1c2CCCC1 587505950 QWNZPAWZEQWFAL-HXUWFJFHSA-N 363.388 5.066 0 1 FKAF Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587540588 BBNXDUFZLIIREZ-LAUBAEHRSA-N 366.800 5.057 0 1 FKAF CC[C@@]1(c2cc(C)ccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603963 SNQXZGHFCIXQBE-QPPBQGQZSA-N 374.436 5.276 0 1 FKAF Cc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587691719 DFAQPASKEJBLOQ-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF CCCCC/C=C\[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814322 HBBCEEDPNDYNEB-LNVIXWOPSA-N 354.307 5.474 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4[C@@H](Cc4ccccc4)C[C@H]3[C@@H]1CC[C@@H]2O 653692127 MTXILKCYKGXIAV-XEQNACSNSA-N 362.513 5.393 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(Cl)cc3)c3c(n2)-c2ccccc2C3)c1 653731217 LRSQPRMEUJQLLF-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF CCCCCC[C@]1(c2ccccn2)c2ccc(F)cc2C[C@H]2CCCN21 963100588 KFKKQFUVJFYBBR-NFBKMPQASA-N 352.497 5.455 0 1 FKAF O=C(O)c1cccc2c1CCN[C@@]2(c1ccc(Cl)cc1)C1CCCCC1 963135009 VKJJXKCTCAUODH-JOCHJYFZSA-N 369.892 5.008 0 1 FKAF CCCCCC[C@@]1(c2ccco2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963606434 HQPAPZRTXZMFFT-AOMKIAJQSA-N 357.494 5.045 0 1 FKAF CCOC(=O)CCCCCOc1ccc(-c2cc(=S)ss2)cc1 1857565781 WRWBWPVFXLUHKR-UHFFFAOYSA-N 368.545 5.708 0 1 FKAF O=C(c1ccc(Cl)c(Cl)c1)c1scnc1-c1cccc(Cl)c1 1857773353 ZQFQMKLERCJKCW-UHFFFAOYSA-N 368.672 6.001 0 1 FKAF COC(=O)C=C(C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)OC=O 2356304371 CEHXOVCCJGHXEP-JZZBYWGLSA-N 364.526 5.060 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@]12C 2356390228 UPLFAPLODUYLJO-IGPLEYBZSA-N 358.610 6.464 0 1 FKAF CCCCC/C=C/C/C=C/CCCCCCCCCc1cc(O)cc(O)c1 14614309 QEMSHYYBCNAAQA-AVQMFFATSA-N 372.593 7.844 0 1 FKAF endogenous,in-man C[C@H]1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1 26727051 AOZALWRGTMILIK-CYBMUJFWSA-N 351.496 5.726 0 1 FKAF CN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCC2=CCCCC2)CC1 27328300 ZFQGRACXVDKIRJ-UHFFFAOYSA-N 361.957 5.683 0 1 FKAF CC1(C)C[C@H](NC(=O)Nc2ccccc2Cl)c2cc(Cl)ccc2O1 36473089 IKNQZHCMDQZSRM-HNNXBMFYSA-N 365.260 5.417 0 1 FKAF Cc1ncsc1CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 38208906 ARYJPFLXYGJGJL-UHFFFAOYSA-N 366.530 5.514 0 1 FKAF C[C@]1(C(=O)O)CCC[C@]2(C)c3cc(OCC4CCCCC4)ccc3CC[C@@H]12 40916725 KSWQIYCBBRHCCD-JRFVFWCSSA-N 370.533 5.741 0 1 FKAF Cc1cc(-c2cccc3cc[nH]c23)c(CN=O)c2c1NC(C)(C)[C@H](O)[C@H]2C 169724580 JDXZWBQZOLMPGZ-YEJXKQKISA-N 363.461 5.078 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(F)c(F)cc2[nH]1 587014400 KZWYVWQYJXPSMR-UHFFFAOYSA-N 361.804 5.593 0 1 FKAF Fc1ccc2[nH]c(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c(Cl)c2c1 587174030 COSWRNFZTJRAPF-UHFFFAOYSA-N 355.587 5.206 0 1 FKAF CCCCCc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587445754 OFHLBXKSUFITQS-AUSIDOKSSA-N 350.458 5.091 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(F)c1C(F)(F)F)CC2=O 587463067 VSAZJKAHFIUNEY-INIZCTEOSA-N 368.326 5.209 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1C[C@@H]1c1ccccc1C)CC2=O 587487636 FYZOXDQCUZNFMU-PWHSHALESA-N 350.458 5.181 0 1 FKAF Cc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2cc(Cl)c(F)cc12 587629134 VYGRXQUGZIYCKB-UHFFFAOYSA-N 351.208 5.483 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C2CC2)N1 587819050 KRMFOFLRECLEON-JEOXALJRSA-N 360.270 5.089 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C)c(Br)cc2[nH]1 587950383 LALHHSYUQZDSAG-NDGTYSDOSA-N 365.315 5.680 0 1 FKAF FC1(F)CCCCCC[C@]12NC1(CC1)Cc1ccc(Br)cc12 961616315 RKUWVVMZBVJEHS-QGZVFWFLSA-N 370.281 5.312 0 1 FKAF COc1ccc2c(c1)[C@@H](c1c(F)ccc(Cl)c1Cl)N(C(C)C)CC2 962092840 QWFPQZMFQOYZKS-IBGZPJMESA-N 368.279 5.497 0 1 FKAF Cc1c(F)ccc2c1[C@@](c1cc(Cl)ccc1Cl)(C1CCC1)NCC2 962378806 UQOIZXCNEVQJAH-FQEVSTJZSA-N 364.291 5.630 0 1 FKAF CCCC[C@]1(Cc2ccco2)c2ccsc2CCN1Cc1cccnc1 962991656 DRCUPMGYHUMYGI-QFIPXVFZSA-N 366.530 5.423 0 1 FKAF CC1(C)C[C@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccc(F)cc2O1 963127088 YZKPXEWYZQXBQH-IBGZPJMESA-N 366.263 5.083 0 1 FKAF Cc1cc2[nH]c([C@@H](O)CC3CCCC3)c(-c3ccccc3)c2cc1C(=O)O 1772623361 QGRBHBCJIGXMDV-FQEVSTJZSA-N 363.457 5.455 0 1 FKAF CSc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1 1772651981 HOEXGBNYMGCQQA-UHFFFAOYSA-N 361.392 5.628 0 1 FKAF Cc1[nH]c2ccc(Br)cc2c1C[C@H](N)c1ccc(Cl)cc1 1857538549 SLJCCQKIOHAQAU-INIZCTEOSA-N 363.686 5.135 0 1 FKAF CCNC(=S)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 1857599627 WILMZTRFGGFHHO-ACIOBRDBSA-N 372.622 5.304 0 1 FKAF C[C@@H]1CC=C[C@](C)([C@@H]2C[C@H](Cc3cccc(O)c3)CC3(CCCC3)C2)C1 2356477102 OUOWUEBTLCCJKL-SPHCQZIESA-N 352.562 6.904 0 1 FKAF CC(C)=C[C@@H]1C[C@](C)(C=Cc2ccc3cc[nH]c3c2)c2cc3cc[nH]c3cc21 2356682772 STKFDMFOGFXEHA-RLWLMLJZSA-N 366.508 7.074 0 1 FKAF C[C@H]1C[C@H]1C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 2356731113 ZZBNLFUDCSYRKU-QQHFZWJJSA-N 364.573 6.713 0 1 FKAF C[C@H]1C[C@@H](C)C[C@@]2(C)[C@H](C)Oc3c(-c4ccc(O)cc4)cnc(O)c3[C@@H]12 2356874309 YUVRNJMVVICARN-MMZTZGAASA-N 353.462 5.097 0 1 FKAF COc1ccccc1Cc1c(-c2cccc(Cl)c2)nc2ccc(C)cn12 72122088 VRPKBMCBSVZRPL-UHFFFAOYSA-N 362.860 5.563 0 3 FKAF Brc1ccc(C2=CS/C(=C3/C=Nc4ccccc43)N2)cc1 104024721 FQHZFBQVPDKTFR-VKAVYKQESA-N 355.260 5.169 0 3 FKAF Cc1cc(C)cc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)c1 13781362 VBEVBDNLVNTAEQ-UHFFFAOYSA-N 353.425 5.166 0 1 FKAF CC(=O)c1c(O)cc(OC/C=C(\C)CCC=C(C)C)c(CC=C(C)C)c1O 14819105 JSQYIIZKWGVQLC-SFQUDFHCSA-N 372.505 5.881 0 1 FKAF CCCC[C@@H](C)C1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1 14978536 XQYQZKJQEBBBBS-MZEQIWSPSA-N 359.557 7.321 0 1 FKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 43191499 YFMSIVMSEGIVCP-WEQFDGKBSA-N 358.522 5.086 0 1 FKAF COc1cccc(-c2ccc3ccn(Cc4cccc(C(=O)O)c4)c3c2)c1 95579396 WGCOFSJVJFDXHI-UHFFFAOYSA-N 357.409 5.063 0 1 FKAF O=C(O)c1cc(Cl)ccc1Cc1ccc(-c2ccccc2Cl)nc1 96173369 GTRQKNJNIMWXQU-UHFFFAOYSA-N 358.224 5.344 0 1 FKAF CC(=O)[C@@]12CC=CC[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 118914417 HVHYRVHDTSSVNF-UZZVPUAOSA-N 368.561 5.462 0 1 FKAF biogenic CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3cccnc3)CCC[C@@]21C 169343665 KNMGKMUZDPVIMX-VILWBRSESA-N 371.565 6.286 0 1 FKAF Cc1ccncc1-c1cccc2c(OCc3ccc4ccccc4c3)noc12 222713918 XWCHYJMJXNPNRN-UHFFFAOYSA-N 366.420 5.930 0 1 FKAF COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C(C)(C)C 473113681 JXZHSWOBALTVNI-UHFFFAOYSA-N 352.261 5.552 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(C)c(F)ccc4[nH]3)cc2)CC1 586879052 DCNFSLVIGAMAAW-IYARVYRRSA-N 364.508 7.141 0 1 FKAF Cc1cc(Br)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 586883367 BKKUIYKASZUNON-LIRRHRJNSA-N 353.263 5.005 0 1 FKAF Cc1cc(Cl)cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074017 OXYDSNMUAACBTI-KRWDZBQOSA-N 360.288 5.515 0 1 FKAF Clc1ccc(CC2(c3nc4cc(Cl)c(Cl)nc4[nH]3)CC2)cc1 587074122 SSMSDLXAFYXEPU-UHFFFAOYSA-N 352.652 5.192 0 1 FKAF Cc1ccc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2n1 587083363 QHVIZBXNHNXJCP-UHFFFAOYSA-N 374.831 5.703 0 1 FKAF Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(F)c1F 587104548 YLCXHTSHQOBZSG-UHFFFAOYSA-N 357.359 5.700 0 1 FKAF CO[C@H](C)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587108337 ZXOVLUCUNWWTMC-OAHLLOKOSA-N 365.432 5.821 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(F)c(Br)c3[nH]2)c1F 587152234 KWYLSEPMEZPDGX-BDAKNGLRSA-N 367.168 5.014 0 1 FKAF COc1cccc(-c2cc(/C=C/C=C(C)C)nc3c2oc2ccccc23)c1 587366619 XJQLLECYSYTWQO-UXBLZVDNSA-N 355.437 6.636 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(Cl)ccc3n1C)CC2=O 587462586 PJAGKEGTSLWORR-FQEVSTJZSA-N 369.848 5.196 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(CCC1=C(C)CCCC1(C)C)CC2=O 587491324 WPKZLPBOJWIVAQ-DEOSSOPVSA-N 370.533 6.375 0 1 FKAF O=C1C[C@@H](c2cc(F)c(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587504304 ITOMPTVMVFNWSK-KRWDZBQOSA-N 365.231 5.718 0 1 FKAF C[C@]1([C@H]2C[C@H]2c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587506612 KZMKRLKZVJBXBM-SXWKCWPCSA-N 350.433 5.232 0 1 FKAF Cc1nc(C(C)(C)C)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587530231 DGKRVSNLRXAEDA-QFIPXVFZSA-N 369.530 5.508 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1CCCCCCC1 587602897 JSWRSGAQTNDXEU-UGKGYDQZSA-N 352.430 5.083 0 1 FKAF FCc1c(-c2ccccc2Br)[nH]c2ccc(F)c(Cl)c12 587629425 PNUBPRXYBBPMGQ-UHFFFAOYSA-N 356.597 5.859 0 1 FKAF Cc1[nH]c2c(C(=O)O)cccc2c1[C@H]1CCCCCN1C(=O)OC(C)(C)C 587638968 LKRIRGUDPUHAQD-MRXNPFEDSA-N 372.465 5.027 0 1 FKAF Cc1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587699267 RZUFISDIQBFBPR-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF CCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811009 FPPVLXWENITMFY-ORAYPTAESA-N 362.286 5.166 0 1 FKAF C[C@@H](CC1CCCCC1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821438 VAUBSBBGRJENDO-QUJCMNEKSA-N 368.334 5.770 0 1 FKAF Cc1cc2c(c(C)c1Cl)[C@@]1(CCO2)c2ccc(F)cc2C[C@H]2CCCN21 963119837 ZPUVNDWYDSJCHS-VGOFRKELSA-N 371.883 5.143 0 1 FKAF CC(C)(C)Nc1c(-c2cc3ccccc3nc2Cl)nc2sccn12 1772570851 LXRWTTBHAGIJBH-UHFFFAOYSA-N 356.882 5.475 0 1 FKAF CCCN1CC(=O)Nc2ccc(-c3ccsc3)cc2[C@H]1c1ccccc1 1911580252 ZAYDCDITEIEZJC-JOCHJYFZSA-N 362.498 5.169 0 1 FKAF COC(=O)[C@@H](O)CC(C)=CCC[C@H](C)C=CC=C(C)CCCc1ccoc1 2356439233 JHGCSAXOTKATLR-GCJKJVERSA-N 374.521 5.391 0 1 FKAF CC1=C[C@H](OC(=O)C=Cc2ccccc2)[C@H](C(C)C)CCC(C)=CCC1 2356689033 WFXRZGNFMQPULF-GOTSBHOMSA-N 352.518 6.350 0 1 FKAF CCc1c(-c2ccc(F)cc2)ncn1Cc1cccc(-c2ccccc2)c1 95565663 LFDFBGMSMAKLMM-UHFFFAOYSA-N 356.444 5.967 0 3 FKAF CC1=C[C@](C)(c2c[nH]c3ccccc23)CC(C)(C)c2c1[nH]c1ccccc21 5757778 FBJAPBJGACFLTK-VWLOTQADSA-N 354.497 6.692 0 1 FKAF CO[C@H](C1CCCCC1)[C@H](C)/C=C/CC(=O)OCCCc1ccccc1 7992067 WFDPQRQYLWKFNQ-VWWJITKZSA-N 358.522 5.340 0 1 FKAF Cc1cc(OCc2ccc(-c3ccccc3C(=O)O)cc2)c2ccccc2n1 13728622 CZHTVPAZYQJIGP-UHFFFAOYSA-N 369.420 5.487 0 1 FKAF CC(C)COC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27556254 VWCLCSNGYMXSLD-OIISXLGYSA-N 360.519 5.084 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC=CC[C@H]1C[C@H]3O 33820848 PPDXYYNTNAKISM-MMSVWBHPSA-N 374.565 5.283 0 1 FKAF CC[C@@H](c1ccc(O)c(COC)c1)[C@@H](CC)c1ccc(O)c(COC)c1 40466729 HODIECUQIMNXPH-PMACEKPBSA-N 358.478 5.078 0 1 FKAF N=C(N)c1ccc2[nH]c(-c3cc(Cl)cc(CNc4ccccc4)c3)cc2c1 43061965 SLDKYTOXSRNXDQ-UHFFFAOYSA-N 374.875 5.384 0 1 FKAF Fc1cc(F)cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 45303089 PEBZRVARXHXDTI-UHFFFAOYSA-N 358.391 6.108 0 1 FKAF CC(C)(C)c1ccc(CNCCNc2ccnc3cc(Cl)ccc23)cc1 96928865 OPWXHHGDAWNRDQ-UHFFFAOYSA-N 367.924 5.387 0 1 FKAF CN(C)CCC/N=c1\cc(-c2ccc(Cl)cc2)sc2ccccc12 169316870 XLOHDPDZOIDOFF-RELWKKBWSA-N 356.922 5.074 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1cc(C(=O)O)ccc1O 238748242 YPSYTZIIVLKBKJ-IJUJUXHTSA-N 358.478 5.888 0 1 FKAF CCC/C=C\CSC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 261161133 QXBFRDGMYMBQMJ-SZBAIWTNSA-N 352.540 5.071 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 586880799 HEPPQNCQBRXJKR-UHFFFAOYSA-N 368.480 6.149 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587081416 VMUXZCANDNVETG-HXUWFJFHSA-N 374.827 5.124 0 1 FKAF Clc1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)nc1Cl 587085085 YFJPHUQCVLZYPG-UHFFFAOYSA-N 370.239 5.511 0 1 FKAF COC1CCC(c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)CC1 587106592 JUSFFIUFDJLQLB-UHFFFAOYSA-N 357.453 5.427 0 1 FKAF COc1c(F)cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1F 587135165 UMTBUJVOJHQTEJ-UHFFFAOYSA-N 362.685 5.189 0 1 FKAF Cc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1F 587150158 KXKUNEZEQGTOKW-FQEVSTJZSA-N 368.358 5.457 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C1(CCCCC1)CCCC3 587208405 VMOSEHZENIDSKM-UHFFFAOYSA-N 367.492 6.375 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(C)cc(C)c3[nH]2)c1 587237991 BIRRPXPFADPHKL-UHFFFAOYSA-N 356.473 5.789 0 1 FKAF C[C@@H]1CC[C@]2(C[C@H]1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348051 CDCOOQJPKXXQGW-HMJGNGCJSA-N 354.421 5.085 0 1 FKAF CC[C@@]1(c2cccc(C(F)(F)F)c2F)CC(=O)c2cc(C)cc(N)c2O1 587383480 XJVGPLWTUNOGMB-SFHVURJKSA-N 367.342 5.006 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](CCCc1ccc(C)c(C)c1)CC2=O 587486329 XKWWNQVDYMGBCY-GOSISDBHSA-N 352.474 5.318 0 1 FKAF C[C@@]1(c2c[nH]c3cc(Cl)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587496265 AVUQNJVVJUTIQE-QFIPXVFZSA-N 365.860 5.581 0 1 FKAF CN(c1ccc(F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C1CC1 587500261 APWJSJFNVCWIJY-QFIPXVFZSA-N 365.448 5.010 0 1 FKAF CC(C)(C)c1cc(N)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587532421 QQWNKLSDZAVVKD-QFIPXVFZSA-N 369.530 5.387 0 1 FKAF O=C1C[C@@H](c2sc3ccccc3c2Cl)Oc2c1ccc1c2CCCC1 587536177 SZZCCMCKKGUHBV-KRWDZBQOSA-N 368.885 6.140 0 1 FKAF Cc1ccc2oc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 587614994 FCQRMRODHVZQTH-OFNKIYASSA-N 372.376 5.150 0 1 FKAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)s1 587629896 MTAHBHJGAAYJTE-UHFFFAOYSA-N 361.747 5.580 0 1 FKAF CCCc1c(-c2ccc(Br)c(C)c2)[nH]c2c(C(=O)O)cccc12 587636782 IMGVLVYBNQEMKW-UHFFFAOYSA-N 372.262 5.557 0 1 FKAF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c2ccccc12 587802853 NXIXLJJEFOKYGI-OVWNDWIMSA-N 373.269 5.002 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2c(C)c(Br)cnc2[nH]1 587950996 FXPHEPYIFFZJBM-QKCSRTOESA-N 366.303 5.075 0 1 FKAF Cc1ccc(C)c2[nH]c(CCCCCCCCCCCCC(=O)O)nc12 587957802 VLWZLVOHROOYJZ-UHFFFAOYSA-N 358.526 6.098 0 1 FKAF Cc1cc2c(cc1F)[C@](c1ccccc1)(c1cccc(Cl)c1)NCC2 962141266 BSPHCHIATUVVIJ-QFIPXVFZSA-N 351.852 5.225 0 1 FKAF CC(=O)[C@@H]1CC[C@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@@H]4CC3)CC[C@@]12C 2356324620 KRGINONPUAFUGF-WJHCDBIXSA-N 368.517 5.316 0 1 FKAF CC(=O)OCC=C(C)CCC1=C(C)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]12C 2356684743 VYHQRVHVJIOYAH-ILWGZMRPSA-N 362.510 5.284 0 1 FKAF COC(=O)c1ccc(O)c(C[C@]2(C)[C@H](C)CC[C@H]3C(C)=CCC[C@]32C)c1 2356743537 KDAMGOAZTHXKIC-DRVJTKKISA-N 356.506 5.520 0 1 FKAF COc1ccccc1-c1noc2nc(NCc3ccc4occc4c3)ccc12 205223696 AZRZWSXEQOCSJS-UHFFFAOYSA-N 371.396 5.257 0 3 FKAF COc1cccc2c(Nc3ccccc3C)c(C(=O)c3ccccc3)cnc12 575244 QGFLHWNLAOUSPQ-UHFFFAOYSA-N 368.436 5.526 0 1 FKAF O=C(Nc1ccccc1)O[C@@H]1CCCC[C@@H](OC(=O)Nc2ccccc2)C1 6475607 SKWHOLRVDNSZNF-RTBURBONSA-N 368.433 5.185 0 1 FKAF biogenic CC(C)=CCc1cc2c(c3c1OC(C)(C)C=C3)O[C@@H](c1ccccc1)CC2=O 14587467 LGHPWLOMYSXCFG-JOCHJYFZSA-N 374.480 6.086 0 1 FKAF biogenic CC1=C(/C=C/c2cc(Nc3cccc(F)c3)nc(N)n2)C(C)(C)CCC1 28712592 UTVNJTFPIDNETQ-MDZDMXLPSA-N 352.457 5.481 0 1 FKAF O=C(O)[C@H](Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1 45287870 WROBXNIPOICBSO-NRFANRHFSA-N 364.466 5.054 0 1 FKAF CCOC(=O)/C=C1\CC[C@H]2[C@@H]3CCc4cc(O)c(CC)cc4[C@H]3CC[C@]12C 72107216 PJLDNPREIIPBAG-JGESOKOASA-N 368.517 5.300 0 1 FKAF Cc1ccccc1Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12 72179378 FOYFRVXIRGBBMK-UHFFFAOYSA-N 353.636 5.557 0 1 FKAF CCCCC[C@H](C)NCc1coc(-c2ccc(SC(F)(F)F)cc2)n1 72181912 BOGUTLXLPFSCDU-ZDUSSCGKSA-N 372.456 6.012 0 1 FKAF CN(Cc1coc(-c2ccc(F)cc2)n1)C(c1ccccc1)c1ccccc1 72184550 XHZVDFSAINJKMV-UHFFFAOYSA-N 372.443 5.702 0 1 FKAF CC(C)Oc1ccc(Oc2ccc(CC[C@@H](C)CC(=O)C3CC3)cc2)cn1 96167503 IOCZXRTZGAEBMP-QGZVFWFLSA-N 367.489 5.599 0 1 FKAF Cc1ccc(Nc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)c(C)c1 103292447 WSJHNZJKVHZNNQ-UHFFFAOYSA-N 357.379 5.831 0 1 FKAF Fc1ccc2[nH]c3c(c2c1)[C@@H]1CCC[C@@H](C3)N1CCCCc1ccccc1 149807062 KYBUUIZCDMRELX-CVDCTZTESA-N 362.492 5.782 0 1 FKAF Cc1ccc2nc(-c3ccccc3)cc(NCCCN3CCCCC3)c2c1 208043062 NHSYFTZECSXEPB-UHFFFAOYSA-N 359.517 5.498 0 1 FKAF CN(C)CCOc1ccc([C@@H](c2cccc(F)c2)c2cccs2)cc1 299858814 HAMAMYKYBNIHCF-NRFANRHFSA-N 355.478 5.008 0 1 FKAF Oc1ccc(-c2nc(-c3ccc(Sc4ccc(F)cc4)cc3)no2)cc1 473156769 TXGVPQNEBOKJEN-UHFFFAOYSA-N 364.401 5.400 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586896159 INOYIAXZFVOILA-UHFFFAOYSA-N 372.321 5.760 0 1 FKAF CCc1c(C2CCCCC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991795 QKZTXBVWSTWFBP-UHFFFAOYSA-N 357.453 5.762 0 1 FKAF Cc1cc(Cl)cc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005865 WVUHYZDJOYKXRF-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(Cl)c(F)cc4[nH]3)c(C)s2)cc1 587012658 DRZUXAITBSTYPK-UHFFFAOYSA-N 357.841 5.763 0 1 FKAF c1ccc(Oc2ccc3[nH]c(-c4ccc(-c5nccs5)cc4)nc3c2)cc1 587022976 AYSOKBZCZONGJL-UHFFFAOYSA-N 369.449 6.146 0 1 FKAF Cc1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2n1 587060995 YKUJFPACFMKEOR-UHFFFAOYSA-N 370.843 5.802 0 1 FKAF Fc1c(F)c(F)c2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2c1F 587063102 ONUCLPSMPGTSRI-UHFFFAOYSA-N 367.689 5.095 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C1C[C@@H]3CC4C[C@H](C1)C3)-c1ccccc1C2=O 587100404 IXBIVZDGNRBZME-RYTJFDOTSA-N 365.476 6.146 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC[C@@H]4[C@H]1CCOC1)-c1ccccc1C2=O 587101907 REKJWWAMJBYJCB-JKSUJKDBSA-N 369.464 5.211 0 1 FKAF CC(C)(C)Oc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(N)cc1F 587136284 MLISEIYWXREGSM-UHFFFAOYSA-N 368.239 5.435 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)cc1 587241906 DLBFNKWJYYUOIW-UHFFFAOYSA-N 352.397 5.227 0 1 FKAF CC[C@@H]1CC[C@H](C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587350733 FEBHBILPVBWGBV-HKTKAPNTSA-N 368.448 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc(-c4ccccc4)cc31)O2 587406335 GJBUMDJCDRUBMV-DEOSSOPVSA-N 355.437 5.051 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1ccc(OC)cc1)CC2=O 587481146 PWABLUZKJMMAJE-JOCHJYFZSA-N 354.446 5.014 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)ccc1OCC1CC1)CC2=O 587484273 ZPLFYQDOGCXTRY-JOCHJYFZSA-N 366.457 5.148 0 1 FKAF O=C1C[C@]2(CCCNc3cc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587501703 QEBKCHXMZWCIGO-QFIPXVFZSA-N 367.876 5.285 0 1 FKAF O=C1C[C@@H](c2cccc(-c3ccncc3)c2)Oc2c1ccc1c2CCCC1 587513222 BKAVPMBGANNFGA-QHCPKHFHSA-N 355.437 5.334 0 1 FKAF CCCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525918 WMJLEGVUIWSMEB-QFIPXVFZSA-N 350.458 5.451 0 1 FKAF CC(C)=CCC/C(C)=C/CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526520 VNDVSQGBFXNWMT-KDDABKDRSA-N 366.545 6.762 0 1 FKAF CC(C)(C)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587600381 BGDQIYKRIYZKBK-OFNKIYASSA-N 374.436 5.393 0 1 FKAF CC(C)(C)Sc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cn1 587921774 YJYIKQBLFOTHQP-UHFFFAOYSA-N 362.470 6.041 0 1 FKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(I)cc3[nH]2)C1 587968627 FRXNERMRJICSKO-GHMZBOCLSA-N 368.262 5.097 0 1 FKAF O=C(Nc1nc2ccccc2s1)Nc1ccc(C(F)(F)F)cc1Cl 653718357 PEITUKIXHBWDAE-UHFFFAOYSA-N 371.771 5.613 0 1 FKAF CCCCCCSc1cc(Cl)c(C(=O)CC[N@@]2C[C@@H]2C)cc1Cl 1857742124 BOTHSWILLQNCAB-ZSEKCTLFSA-N 374.377 5.943 0 1 FKAF Clc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccsc2)cc1 95570209 IUYIQXBNPCBJCV-UHFFFAOYSA-N 374.896 6.460 0 3 FKAF CC(C(=O)Nc1cc(Cl)ccc1Cl)(C(F)(F)F)C(F)(F)F 3189052 YEONSDPBHQPJCA-UHFFFAOYSA-N 354.077 5.063 0 1 FKAF biogenic CC1=CC[C@@H]2[C@H](C1)c1c(O)cc([C@@H](C)[C@H](C)C3CCCC3)cc1OC2(C)C 26719510 USDMFBBEDJJVQK-IDPBPBMLSA-N 368.561 6.933 0 1 FKAF CC(C)=CCOc1cc([C@@H](CO)Cc2cccc3ccccc23)ncc1C 27564172 ODXSJWZNLLXLAB-OAQYLSRUSA-N 361.485 5.207 0 1 FKAF COc1ccc(-c2cc(C)c3c(c2Cl)[C@@H](C)CC(C)(C)N3)c2[nH]ccc12 29043485 NZGNOGXYEWYRJB-ZDUSSCGKSA-N 368.908 6.503 0 1 FKAF c1ccc2c(c1)COC21CCN(CCCCc2c[nH]c3ccccc23)CC1 29570933 GOIYUNROIAKNAE-UHFFFAOYSA-N 360.501 5.012 0 1 FKAF CCCCO[C@@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1ccnc1 45358363 ILUASSXYQOEHHS-ROUUACIJSA-N 366.958 6.125 0 1 FKAF Cc1cc(S(=O)(=O)NCc2ccccc2)c2c(C)ccc(C(C)C)cc1-2 72124852 HUMRYLWWEIVHBG-UHFFFAOYSA-N 367.514 5.010 0 1 FKAF CC(C)(C)c1ccc(-c2nc(CNC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)co2)cc1 72183999 ICQBBQCRJKQIOG-CUWPLCDZSA-N 366.549 5.801 0 1 FKAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1[C@@H](C)c1ccncc1 73198952 WQDPBSMVTFWJOX-KRWDZBQOSA-N 354.457 5.179 0 1 FKAF CC[C@@H](C(=O)Nc1ccccc1N(C)Cc1ccccc1)c1ccccc1 95552913 XPJGUGUJFXFDGZ-OAQYLSRUSA-N 358.485 5.455 0 1 FKAF c1ccc(C[n+]2ccn([C@@H](c3ccccc3)c3cc4ccccc4o3)c2)cc1 95590305 IBYZNLGVLQZQST-VWLOTQADSA-N 365.456 5.208 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 586907256 LDKZBADEQFTXBV-UHFFFAOYSA-N 366.420 5.325 0 1 FKAF Cc1cc(F)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 586975996 RFCQXOZQCSAQNT-UHFFFAOYSA-N 374.040 5.747 0 1 FKAF Cc1c(-c2nc3cc(Cl)cc(F)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075531 HLAZDQISLTUCGZ-UHFFFAOYSA-N 361.207 5.170 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2cc(C)cc(Br)c2[nH]1 587156250 RMSUIYFXUCSWMB-AWEZNQCLSA-N 363.230 5.303 0 1 FKAF CC(C)(C)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587195148 CBVDXZQFBKQDAA-UHFFFAOYSA-N 369.512 6.067 0 1 FKAF CC(C)(C)[C@H]1CCc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O 587208018 PRFQSQMROGSRLD-OAHLLOKOSA-N 355.481 5.987 0 1 FKAF CCCc1c(O)ccc2c1OC1(CCCCCCCCCCC1)CC2=O 587476771 AZBPSDLXZIHTDI-UHFFFAOYSA-N 358.522 6.353 0 1 FKAF O=C1C[C@@H](c2ccc(OC(F)F)cc2F)Oc2c1ccc1c2CCCC1 587509023 VXSYWVNBXWBCAJ-SFHVURJKSA-N 362.347 5.012 0 1 FKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@]31CC(=O)c2ccc3c(c2O1)CCCC3 587524199 KSDAZWYWEXUDSV-VWLOTQADSA-N 371.480 5.552 0 1 FKAF CC[C@@H](C)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587527078 UQRVFNJKSHOJQI-CMJOXMDJSA-N 364.485 5.794 0 1 FKAF O=C1C[C@H](c2ccc(-c3cccc(O)c3)cc2)Oc2c1ccc1c2CCCC1 587529711 CQFKWBLFIFEBLS-XMMPIXPASA-N 370.448 5.645 0 1 FKAF CC(C)CSc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533401 SVTIWAHLNGLOMM-QFIPXVFZSA-N 366.526 6.020 0 1 FKAF CC(=O)c1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 587627769 AQLBQDDDWWVRGR-UHFFFAOYSA-N 366.617 5.593 0 1 FKAF Cc1c(-c2ccc(Cl)c(Br)c2)[nH]c2ccc(F)c(Cl)c12 587628537 UWUMWOATMOODLE-UHFFFAOYSA-N 373.052 6.352 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(-c3ccc(C)cc3)c2c1 587642168 PYPQTOJUVZKNLR-KRWDZBQOSA-N 373.927 7.977 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccc(Cl)cc2)N1 587701629 VKUGAWKVWYGIFQ-BONVTDFDSA-N 368.677 5.060 0 1 FKAF CC1=CC[C@H](C[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587821999 ZDKVXCUAPQUFNM-XPKDYRNWSA-N 366.318 5.546 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C(C)(C)C)cc1 587870483 KTBQNBPIPGMNNX-UHFFFAOYSA-N 366.436 5.074 0 1 FKAF COc1cccc([C@@H](C)Cc2nc3cc(Br)c(C)c(C)c3[nH]2)c1 587931920 PEGALXWGGQWFCL-NSHDSACASA-N 373.294 5.297 0 1 FKAF CC/C(=C\c1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587965507 AJFBBRCBGLHRMT-JLHYYAGUSA-N 362.420 6.434 0 1 FKAF Clc1cccc(-c2nnc3ccc(-c4cncc5ccccc45)cn23)c1 653676835 QQYPWBZAFQYNCF-UHFFFAOYSA-N 356.816 5.265 0 1 FKAF Cc1ccc(-c2nnc(Nc3cccc(Br)c3)s2)c(C)c1 653747410 KJNCLZFGPWOFEX-UHFFFAOYSA-N 360.280 5.328 0 1 FKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)CCCCC2 653826049 BCMIPASMWKJWNY-AATRIKPKSA-N 373.462 6.120 0 1 FKAF COc1cccc2cc3c(nc12)[C@H](C(C)(C)Sc1ccccc1)NCC3 963040498 XDUKLVWKMOBTRI-OAQYLSRUSA-N 364.514 5.001 0 1 FKAF C[C@H](Oc1ccccc1Cl)[C@@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963118943 XYFSCMDOVXDJRI-OXTHUFEASA-N 359.872 5.182 0 1 FKAF COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl 1857626881 UBCKGWBNUIFUST-UHFFFAOYSA-N 365.964 5.602 0 1 FKAF CCO[C@@H]1CCCc2nc(Nc3ccc(Br)cc3)sc21 1857649677 RKYBZXXKFPSIGO-CYBMUJFWSA-N 353.285 5.063 0 1 FKAF C[C@]1(Oc2cccc(F)c2)CCN(Cc2ccc(-c3ccccc3)o2)C1 61930022 HPGCIWYUUOXVKJ-QFIPXVFZSA-N 351.421 5.129 0 3 FKAF C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(C(C)C)cc(C(C)C)c1OCCF 13522227 IZRBTAOACLYFOA-PVINZEOUSA-N 374.496 6.272 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(c5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O 13671509 FBCINCBIRWVDGR-SMUKYFJDSA-N 366.545 5.486 0 1 FKAF CCCCCC[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@H]23)[C@@]2(C)C=CC(=O)C=C12 14946834 TWSVBZORGBDMKX-VCUSMXHCSA-N 368.561 6.060 0 1 FKAF COC(=O)[C@@H](CCC=C(C)C)CCC[C@H](CCCc1ccoc1)C(=O)O 15194368 LKVBHTFLLORZRI-OALUTQOASA-N 364.482 5.009 0 1 FKAF biogenic Cc1sc2c(C)c(Nc3ccccc3Br)cc(C)c2c1C 34434883 LQDYONPWPIJSBY-UHFFFAOYSA-N 360.320 6.641 0 1 FKAF CCCCCC1=C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 36440576 DVTVQABLZMTIEW-YGPPEJNESA-N 352.518 5.590 0 1 FKAF Cc1cc(C)c(-c2cc(C)c3nc(Nc4ccccc4)nnc3c2)c(C)c1 40576197 ZHVJPJYSKUEODB-UHFFFAOYSA-N 354.457 5.669 0 1 FKAF COc1ccc(Cc2cc3ccc(OC)cc3cc2-c2cccnc2)cc1 40957051 ATIATLYZAUOIKD-UHFFFAOYSA-N 355.437 5.510 0 1 FKAF Cc1[nH]c2ccccc2c1C1=CCN(C[C@H]2C[C@H]2C(=O)c2ccccc2)CC1 58570430 BCXYITDQZWAHLP-IFMALSPDSA-N 370.496 5.084 0 1 FKAF Cc1cccc(C)c1-c1cccc(COc2ccc(C[C@H](C)C(=O)O)cc2)c1 66104945 UQJDMJJXUXTBQX-IBGZPJMESA-N 374.480 5.813 0 1 FKAF C[C@H]1[C@@H](NCc2coc(-c3cccc4ccccc34)n2)C[C@@H]2C[C@H]1C2(C)C 72183123 VYTSVVOMRCIQKP-HKHXBQBMSA-N 360.501 5.655 0 1 FKAF CCCOc1ccc(-c2cc(OC[C@H](C)N(C)C)c3ccccc3n2)cc1 96271022 QMOFOWRNZKXJBH-KRWDZBQOSA-N 364.489 5.020 0 1 FKAF CC1(C)CC2=Nc3ccccc3N[C@@H](c3nc4ccccc4[nH]3)C2=C(O)C1 100617252 ICEFHFBOHQERMG-HXUWFJFHSA-N 358.445 5.434 0 1 FKAF CCCCC[C@@](C)(O)/C=C/[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C/C=C\CCCC(=O)O 100930202 ZVXFCSQGGXYOEG-OBMBWKOYSA-N 362.554 5.737 0 1 FKAF CC(C)[C@@]12CC[C@@]3(CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]3C1)[C@@H](CN)C2 254074518 CFSIKOAGZWBLPX-XJPDHVFFSA-N 361.570 5.085 0 1 FKAF O=C(c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1)C1CCCCC1 473098019 FDWGOIBEPCOOQI-UHFFFAOYSA-N 365.256 5.835 0 1 FKAF CC(C)CCOc1ccc(Br)cc1-c1nc2ccccc2[nH]1 586981371 JPTSWOJRKOCBAO-UHFFFAOYSA-N 359.267 5.417 0 1 FKAF Cc1ccc([C@@H](C)c2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)o1 586992365 VYKVFXGKTKIZGY-ZDUSSCGKSA-N 355.393 5.205 0 1 FKAF c1csc(SCc2c(-c3nc4cnccc4[nH]3)oc3ccccc23)c1 587011694 QPWWIRVIIBPHLC-UHFFFAOYSA-N 363.467 5.725 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(Cl)nc(Cl)c2[nH]1 587066734 QTGCPMJPWAOOEX-UHFFFAOYSA-N 370.667 5.238 0 1 FKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4cccc(Cl)c4[nH]3)c2)c1 587067745 NMWALTJSWJLZGA-UHFFFAOYSA-N 374.658 6.252 0 1 FKAF FC(F)(F)Sc1ccc2nc(-c3ncccc3C(F)(F)F)[nH]c2c1 587109514 WTSWFRKYNCFRQW-UHFFFAOYSA-N 363.286 5.256 0 1 FKAF COc1cccc(-c2cc(-c3cc(C)ncn3)nc3c2oc2ccccc23)c1 587362883 MKSACLIQIVBDLK-UHFFFAOYSA-N 367.408 5.422 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc(F)cc3)cc1)O2 587384334 KCBAMQZPMOSZOG-NRFANRHFSA-N 363.388 5.215 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1c1ccccc1Cl)CC2=O 587459082 BIWHPULOSRZDPS-HTAPYJJXSA-N 370.876 5.670 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3ccc(C)cc3o1)CC2=O 587477291 FJLXEBZWTYOHOL-QFIPXVFZSA-N 350.414 5.280 0 1 FKAF O=C1C[C@H](CCc2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587510034 VTJVBTLXPNCGLW-KRWDZBQOSA-N 374.402 5.551 0 1 FKAF CCCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587520984 GXGHKFBBZBYZLY-OAQYLSRUSA-N 366.457 5.069 0 1 FKAF CCCOc1ccc(CC)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522355 LHGRFSCDBWFCOI-QHCPKHFHSA-N 364.485 5.623 0 1 FKAF CC(=O)c1c(-c2cccnc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628725 YKCSEQHWEYJCCN-UHFFFAOYSA-N 372.268 5.470 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](C)CC(C)(C)C2)N1 587818225 CYJSEHWULDWXOE-FTLABTOESA-N 354.307 5.164 0 1 FKAF CCCCCCC(=O)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587857872 BIPIYBKFGOLUJU-UHFFFAOYSA-N 369.292 5.866 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CC(C)(C)C 587858966 QWUMIPJXUQZJRK-UHFFFAOYSA-N 355.265 5.332 0 1 FKAF Oc1cc(-c2ccco2)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587944768 HWXUXDLHYIKZQA-UHFFFAOYSA-N 369.323 5.219 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@](C)(O3)[C@H]2[C@H]1OC(=O)C=Cc1ccccc1 2356512331 RFPFUPCCKCHQLQ-NHLYRQLLSA-N 368.517 5.251 0 1 FKAF C[C@H](CO)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@]12C 2356541258 HYDPQJPDIJUOEO-DFTPJEORSA-N 372.593 5.789 0 1 FKAF CN[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356545949 UEKVZUNZRGTHJS-UKLYKMQYSA-N 360.630 5.183 0 1 FKAF Cc1cc2nc(-c3ccccc3)c(-c3c(F)cc(F)cc3F)nc2cc1C 206052517 ITRDVUOGKJZMFC-UHFFFAOYSA-N 364.370 5.998 0 3 FKAF CC[C@]1(c2ccccc2)Sc2c(Cl)cccc2-n2cccc2C1=O 5846921 LVWNWAQCVWJSGW-HXUWFJFHSA-N 353.874 5.725 0 1 FKAF CCCCCC[C@H](O)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 13779271 MRAWPNLCWYURBV-QRVBRYPASA-N 358.522 6.007 0 1 FKAF CN(C)c1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(Cl)c1 13835094 KGLIYGXMEABRLV-UHFFFAOYSA-N 363.288 5.043 0 1 FKAF Cc1ccc(Nc2ccc3c(c2)[C@@]2(C)CCN(CC4CC4)[C@@H](C3)[C@@H]2C)cc1 27987917 DQKXDKCNNDHSMJ-WDNCENIBSA-N 360.545 5.673 0 1 FKAF Cc1ccc(Nc2sc(C(=O)c3ccc(C)cc3)c(C)c2C(=O)O)cc1 28713195 NYKKCYGQESSBFH-UHFFFAOYSA-N 365.454 5.346 0 1 FKAF CCCCCOC(=O)C[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1 28757867 RWCNBCAALKZWTQ-FCHUYYIVSA-N 370.489 5.499 0 1 FKAF COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(N)c3)c2)cc1N 28949021 XDJHRHMECMPQAB-CDJQDVQCSA-N 372.468 5.209 0 1 FKAF CC[C@H]1[C@H](C)CC[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 40690431 GBDVUTUHHVNACT-ODJGSJHLSA-N 367.577 5.436 0 1 FKAF CCNC(=O)Nc1cccc(-c2cccc(-c3nc4cccc(C)c4[nH]3)c2)c1 45210241 RUWOKQWWDZZGKG-UHFFFAOYSA-N 370.456 5.347 0 1 FKAF Cc1ccc(-c2cc(-c3ccc(Cl)o3)cc(-c3ccsc3)n2)cc1 45388128 JPPBFLXCUFCZKP-UHFFFAOYSA-N 351.858 6.699 0 1 FKAF CC1(C)C[C@](CCNc2ccc(F)c(Cl)c2)(c2ccccc2)CCO1 72108550 QLTRHKVENUFCAP-OAQYLSRUSA-N 361.888 5.808 0 1 FKAF CC1(C)C[C@](NC(=S)Nc2cccc(Cl)c2)(c2ccccc2)CCO1 72110808 ZQXIIQAXHYMIHX-FQEVSTJZSA-N 374.937 5.111 0 1 FKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@H]1c1ccccc1F 84759427 VZQHTDNWUVVVSZ-LJQANCHMSA-N 352.434 5.067 0 1 FKAF Cc1sc(-c2ccc(Cl)cc2)nc1[C@H]1C(=O)CC2(CCCCC2)C1=O 98081919 SCFSFPDUDOHUHY-MRXNPFEDSA-N 373.905 5.348 0 1 FKAF CCCCCSCC[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101002088 AIXODEBHLBBHQA-MTTLAKLYSA-N 354.556 5.295 0 1 FKAF CC(C)c1ccccc1Nc1nccc(-c2ccc(Br)cc2)n1 103300960 MOWJBNHQTXCUGI-UHFFFAOYSA-N 368.278 5.773 0 1 FKAF CCOC(=O)c1ccc2c(c1)nc(-c1ccc(C)cc1)n2-c1ccccc1 169353540 JFBGFOFFVKPPGH-UHFFFAOYSA-N 356.425 5.178 0 1 FKAF CCn1c2ccccc2c2cc(C(=O)c3cccc4ncccc34)ccc21 205445182 PVXVLICZYVCCKQ-UHFFFAOYSA-N 350.421 5.594 0 1 FKAF O=C(COc1ccc(-n2cccc2)cc1)Nc1ccc(-c2ccccc2)cc1 221213382 PUMLVOSGOIHOSW-UHFFFAOYSA-N 368.436 5.162 0 1 FKAF C/C(=C/CC[C@H](C)CCO)CC/C=C(\C)CC/C=C(\C)CCCC(C)C 263614205 CMYGTSMAHLGVSH-YGRYZZMUSA-N 362.642 8.011 0 1 FKAF in-vitro c1ccc(Oc2ccc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)cc1 586888666 LQKLPKRIKQAGCL-HYBUGGRVSA-N 352.437 5.727 0 1 FKAF Cc1nc2c(C)ccc3c2c(c1CCC(F)(F)F)-c1ccccc1C3=O 586993447 NQPRKBZQOPUWOC-UHFFFAOYSA-N 355.359 5.558 0 1 FKAF COc1c(F)cccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586996049 PDIULFGATROIOU-UHFFFAOYSA-N 369.395 5.569 0 1 FKAF Cc1cc(C)c2[nH]c(-c3sc(-c4ccc(Cl)cc4)nc3C)nc2c1 587013984 FSESRZMMRHOYIY-UHFFFAOYSA-N 353.878 5.932 0 1 FKAF Cc1cccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587041475 ZTNMZRYWSDUQNT-UHFFFAOYSA-N 357.482 5.717 0 1 FKAF Fc1cccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587060221 GNRHETCOQLSDDU-UHFFFAOYSA-N 373.818 6.238 0 1 FKAF Cc1ccc2c3c(cc(Cc4ccn(C(C)C)n4)nc13)-c1ccccc1C2=O 587096021 BLHCGTAJIKTUPO-UHFFFAOYSA-N 367.452 5.123 0 1 FKAF CC(C)(C)c1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2n1 587144739 CRARQOZYWXMMGE-UHFFFAOYSA-N 363.411 5.868 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(=O)[C@H](C)[C@@H]3C)c1 587365326 GTVPABALYGMGCU-QWHCGFSZSA-N 357.409 5.593 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC(C)(C)C3)c1 587365888 JMQFKTWGXROALD-UHFFFAOYSA-N 357.453 6.172 0 1 FKAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(C(C)(C)C)[C@@H](C2)C3=O 587422318 YFLPGIMSTWONRC-HRAATJIYSA-N 356.849 5.038 0 1 FKAF COc1cc2ccccc2cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527547 WNKOCWVTELRZLI-QHCPKHFHSA-N 358.437 5.434 0 1 FKAF CSc1scc2c1[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587532063 OKTCFSFJZCDCAN-OAQYLSRUSA-N 370.539 5.546 0 1 FKAF O=C1C[C@H](c2cc(-c3cccs3)cs2)Oc2c1ccc1c2CCCC1 587533594 XYYRPKZQVDVUAV-GOSISDBHSA-N 366.507 6.062 0 1 FKAF CC[C@]1(C)C=C[C@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587819249 USUFJBGVSRGJMB-NXOUGTEYSA-N 352.291 5.084 0 1 FKAF CC[C@@H]1C[C@H](C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823392 PKWFTSFGECOEGX-LZDVPDMXSA-N 354.307 5.164 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c2)c1 587932080 KZKVBTKRGBLOFR-UHFFFAOYSA-N 372.468 5.909 0 1 FKAF FC(F)(F)c1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2cc1Cl 587962227 VYFVCXVLEUQUFE-RYUDHWBXSA-N 350.771 5.581 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(SC(F)F)cc2)N1 962944808 FPRCMCCLNVNPDT-SPLOXXLWSA-N 372.484 5.670 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(F)c(F)c2)(C(C)(C)C)N1 962948889 ORIGCWKAGLIPEI-IQMFZBJNSA-N 368.471 5.660 0 1 FKAF CC(C)(C)C[C@]1(c2ccc(Cl)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963107596 RYTHQJPUKCRIOO-CVDCTZTESA-N 371.927 6.179 0 1 FKAF CCCN1[C@H](c2c(Cl)cnc(Cl)c2Cl)c2ccccc2C[C@H]1C 963221617 AJVCBFCMHRTBEY-DIFFPNOSSA-N 369.723 5.788 0 1 FKAF CO[P@](=O)(c1ccc2nc(-c3ccc4ccccc4c3)oc2c1)C(C)C 1911575916 PTWXNYJAHNLZCU-SANMLTNESA-N 365.369 5.606 0 1 FKAF CC(C)=C[C@@H]1C[C@](C)(C=Cc2ccc3cc[nH]c3c2)c2cc3[nH]ccc3cc21 2356341412 NYGKKNQYURXQIA-RLWLMLJZSA-N 366.508 7.074 0 1 FKAF C[C@H]1CCCCC(=CCl)C[C@H](C(C)(C)C)CC(=O)CC=CN(C)C1=O 2356381496 PEHOQRLZZGCHCP-WMZOPIPTSA-N 367.961 5.693 0 1 FKAF CC(=O)OCC=C(C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O 2356605445 GYGSQPMBVQQYCF-XMGTWHOFSA-N 350.543 5.270 0 1 FKAF CC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356732393 BWZMDPHOOVIMHX-WJPVIZSXSA-N 372.593 5.932 0 1 FKAF Fc1ccc2c(-c3cccc(C(F)(F)F)c3)c(-c3ccccc3)ncc2c1 36388763 DLKUDWZZWONFFL-UHFFFAOYSA-N 367.345 6.727 0 3 FKAF Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)cc1 4717269 WKCJUZWPSDJIHB-UHFFFAOYSA-N 366.464 6.079 0 1 FKAF Oc1cccc(CCCCCCCCCCCCCCc2ccccc2)c1 14504417 NKIVMWHPFMFYBF-UHFFFAOYSA-N 366.589 7.859 0 1 FKAF biogenic COc1ccc(OC)c(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)c1 26638084 ABLSFTOIMOWCPH-UHFFFAOYSA-N 356.425 5.428 0 1 FKAF CC(C)c1ccccc1Sc1c(O)cc(-c2ccc(F)cc2)oc1=O 36124544 VNDSVKBFEPFTJA-UHFFFAOYSA-N 356.418 5.426 0 1 FKAF CCCCCCC(=O)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233058 FHIGKFJRZMWOOB-KRWDZBQOSA-N 369.292 5.445 0 1 FKAF c1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@H]2n2ccnc2)cc1 40394987 LZJCNHDQXKPMDD-RPWUZVMVSA-N 364.452 5.090 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(O)c3)c(-c3cccc(O)c3)s2)cc1 45321895 ADHYWKCVZHCYKC-UHFFFAOYSA-N 360.434 5.866 0 1 FKAF Cc1cc(/C=C/c2ccc(C(=O)Oc3ccc(F)cc3)cc2)cc(C)c1O 58547810 YPBLAGZPFBLNKS-ONEGZZNKSA-N 362.400 5.538 0 1 FKAF CCCCCC[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 66075069 SOOAIMVOTCSILP-DFQSSKMNSA-N 356.550 7.077 0 1 FKAF CC[C@@H](NCc1coc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 72183980 HKSLFRLPYPOJBS-GOSISDBHSA-N 361.272 5.889 0 1 FKAF Cc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 84671848 JFCSTFWUQJKVQW-UHFFFAOYSA-N 373.887 6.113 0 1 FKAF Fc1ccc(C2=N[C@H](c3ccc(F)cc3)c3c(ccc4ccccc34)O2)cc1 84742033 IAUWNPVVNLBOSO-HSZRJFAPSA-N 371.386 6.047 0 1 FKAF Cc1ccc(-c2c([C@@H](OC(C)(C)C)C(=O)O)cnc3sc(C)cc23)cc1 103251784 PVSQXVKCMKXSQV-GOSISDBHSA-N 369.486 5.521 0 1 FKAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 152858870 WIVPAKVRSDHFJL-FPNOBGHSSA-N 360.538 5.166 0 1 FKAF Cc1ccc(/C=C/C2=C[C@@]3(C)C[C@@]2(C)[C@@H](c2ccc(C)cc2)CC3=O)cc1 169299314 VNDABGLWEBDVEO-YBHZVZHXSA-N 356.509 6.416 0 1 FKAF Cc1cc([C@H](C[C@H](c2ccc(C(=O)O)cc2)c2ccccc2C)N=O)ccn1 169730219 GMZJHGZSQIVJEK-YADHBBJMSA-N 374.440 5.426 0 1 FKAF Clc1cc(Br)cc2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586881978 ZBRRSTAKUAEQIB-UHFFFAOYSA-N 361.670 5.913 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C)[C@@H]4c1ccccc1)-c1ccccc1C2=O 587102001 YHELLPLAWLUQLR-MGPUTAFESA-N 361.444 6.004 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 587112961 ISDCBHAJFFFLTF-CYBMUJFWSA-N 360.423 6.225 0 1 FKAF Cc1ccc2c(c1)-c1nc3cccc4c3c(c1CCO2)-c1ccccc1C4=O 587209943 YACSGOKDCGHMQX-UHFFFAOYSA-N 363.416 5.357 0 1 FKAF O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5CC4=C3CC[C@H]12)CC7 587215142 BVSVARQLUKWUBM-AGJKQPOQSA-N 369.508 5.160 0 1 FKAF CC1(C)CC(C)(C)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354872 OXHNALBCUGIMNV-AUSIDOKSSA-N 368.448 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(Cl)c3)s1)O2 587411717 UWUSQKWIOCVPBK-KRWDZBQOSA-N 369.873 5.666 0 1 FKAF CC1(C)O[C@H](c2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587530533 CWRKMWXKIPPUFQ-XUZZJYLKSA-N 362.469 5.210 0 1 FKAF Cc1cc(Oc2nccc3ccccc23)ccc1-c1c(C)ncc2nccn12 1857613837 FGRWNIHWCDTJQF-UHFFFAOYSA-N 366.424 5.354 0 1 FKAF Cc1ccccc1C(=O)Nc1cncc(-c2cc(-c3cccnc3)cs2)c1 1857652656 QGJJHSFRUOTGJL-UHFFFAOYSA-N 371.465 5.433 0 1 FKAF CCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 2356492219 ZBPQBCXWLUSWGS-LHCIGQOGSA-N 360.538 5.310 0 1 FKAF Fc1ccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2)cc1 61923579 VPVNTOYTEMRVQJ-UHFFFAOYSA-N 352.412 5.884 0 3 FKAF Fc1ccc(Nc2nccc3[nH]c(-c4ccccc4Cl)nc23)cc1Cl 205230925 YZSAXJIBBDJKAL-UHFFFAOYSA-N 373.218 5.814 0 3 FKAF On1c(-c2ccccc2)c(-c2ccccc2N2CCCC2)c2ccccc21 1633307 VUSNJUXRMBOHFF-UHFFFAOYSA-N 354.453 5.813 0 1 FKAF c1ccc(Cc2cccc3cc(-c4ccc(-c5ccccc5)cc4)[nH]c23)cc1 1653617 HMRLZJNBLDBBRV-UHFFFAOYSA-N 359.472 7.093 0 1 FKAF CCc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccccc1 13558571 YUJMHDHCXPUFIU-UHFFFAOYSA-N 356.421 6.254 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(CC)cc1 28757431 MTGJGHBLPPFPPE-UHFFFAOYSA-N 367.577 6.783 0 1 FKAF COc1ccc(Cl)cc1[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 40828045 ZJNBBYJURGKAEX-AWEZNQCLSA-N 373.783 5.153 0 1 FKAF CC(C)(C)c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 96168053 YUNAZSNFAOAAGH-UHFFFAOYSA-N 358.445 5.068 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cnccc1F 141037777 RGRBHWXEZXAVKZ-OMWZLPMVSA-N 367.508 5.538 0 1 FKAF CCCCN(CCCC)C[C@@H](O)c1cnc2c(Cl)cc(Cl)cc2c1 169339246 PQLWHWLIMIMDRV-GOSISDBHSA-N 369.336 5.477 0 1 FKAF O=C1[C@]2(CCC[C@]13C[C@@H]3c1ccc(Cl)cc1)C[C@H]2c1ccc(Cl)cc1 203697046 IJLAVLPQDXPNGS-NPDDRXJXSA-N 371.307 6.394 0 1 FKAF Cc1cc(CN2CCc3ccccc3C2)cc(C)c1NC(=O)CC(C)(C)C 207517979 PTXVOPRYIPCDMV-UHFFFAOYSA-N 364.533 5.236 0 1 FKAF CC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]12C 238732049 DIEUXISOPLCNKG-PAJMTYMBSA-N 358.654 8.252 0 1 FKAF C[C@H]1CC[C@H](c2cc(-c3cc(-c4ccccc4)sc3C(=O)O)on2)CC1 299847430 PUQQBKOKZGJEKX-HDJSIYSDSA-N 367.470 6.062 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)cc2)o1 586902233 CPFVZQNCVGXENJ-UHFFFAOYSA-N 366.420 6.591 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(F)cc(F)cc1C3 586988606 NYWLSYSITPQJJZ-UHFFFAOYSA-N 371.342 5.001 0 1 FKAF CCc1c(-c2ccc(N)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586994890 BICDDZJIWRMUIY-UHFFFAOYSA-N 364.448 5.566 0 1 FKAF Cc1cccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587069919 FZXSGCVRHHQJID-AIOZRMLZSA-N 371.311 6.544 0 1 FKAF Cc1ccc(C)c2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 587150617 MNAOXSSZPGMIOG-OAQYLSRUSA-N 364.395 5.626 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(Br)cc2[nH]1 587170145 JSTSZUGXJZEEFN-SNVBAGLBSA-N 365.271 5.360 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](C1CCCCC1)C3 587207169 JGMDRHPVDAXJKJ-KRWDZBQOSA-N 367.492 6.131 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587229419 GLYDMOBPOUHEQB-UHFFFAOYSA-N 356.473 5.535 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C)s4)s1)[C@@H](C2)C3=O 587450326 JIRLEPOJWMVAPQ-RBZFPXEDSA-N 368.479 5.282 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(Cl)cc1Cl)CC2=O 587459974 JQEZGYOPSKNWNB-SFHVURJKSA-N 365.256 5.666 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(Cl)cc1O)CC2=O 587460027 KUXGBAUELHDOOQ-QGZVFWFLSA-N 367.228 5.064 0 1 FKAF O=C1C[C@](c2ccc(Cl)cc2)(C2CC2)Oc2c1ccc1c2CCCC1 587498710 GCJZEYZLWGKTAE-JOCHJYFZSA-N 352.861 5.490 0 1 FKAF O=C1C[C@@H](c2ccc(O)c(Cl)c2Cl)Oc2c1ccc1c2CCCC1 587499532 UYSOSVAHMINSKI-INIZCTEOSA-N 363.240 5.284 0 1 FKAF Cc1cc(C)c2nc(O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587525088 MHXHQZSMRYQSLV-OAQYLSRUSA-N 373.452 5.143 0 1 FKAF COc1ccc(C(C)(C)C)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527638 XMTDJYKHFCPKFA-JOCHJYFZSA-N 364.485 5.578 0 1 FKAF Cc1cccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)c1 587628828 RDCRKLKKZFUZIB-UHFFFAOYSA-N 355.718 5.519 0 1 FKAF COc1cccc(C(=O)c2c(C(F)F)[nH]c3cc(Cl)c(F)cc23)c1 587629669 WQNNGMNUALWZLC-UHFFFAOYSA-N 353.727 5.138 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc4c(c3)OCO4)c(C(=O)C(F)F)c2c1 587640025 BDYSZGUGIBLLAS-LLVKDONJSA-N 371.383 5.525 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C23CCC(CC2)CC3)N1 587815795 QHOSOXZQTDEPAN-JGEKHZCVSA-N 366.318 5.308 0 1 FKAF C/C(=C/c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C1CCCCC1 587968085 OUBXNBFPYPABCI-YFHOEESVSA-N 359.342 5.596 0 1 FKAF CC[C@H](C)c1ccc(-n2cccc2[C@H]2NCCc3ccc(F)c(C)c32)cc1 962087983 BXYWMKROIPFVEJ-UPCLLVRISA-N 362.492 5.673 0 1 FKAF C[C@](O)(C[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1NCCc2cccc(-c3ccccc3)c21 962667525 LRLSNPGGAANAOB-FDUYGOEXSA-N 361.529 5.118 0 1 FKAF CC[C@]1(c2cc(Cl)cc(Cl)c2)N[C@H]2CC[C@@H]2c2ccc(OC)cc21 962991849 FPZNXDKPEAZCDT-YZGWKJHDSA-N 362.300 5.505 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccc(C)cc1)c1ncccc1C 963243877 TZXYBTSKPGYFMB-QFQXNSOFSA-N 370.540 5.647 0 1 FKAF CCc1c(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)ccc(O)c1F 1772590552 OBKZFLPLIFPFSY-UHFFFAOYSA-N 372.403 5.180 0 1 FKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OCC)[C@]2(C)[C@@H]1C 2356493371 QVCCBGBILDRMPT-WJTVCOANSA-N 360.494 5.152 0 1 FKAF COC(=O)c1cc(O)c2c(c1)C=C[C@@](C)(CCC=C(C)CCC=C(C)C)O2 2356643477 UERQNIPJAHMGOA-HSZRJFAPSA-N 370.489 5.816 0 1 FKAF CCOc1ccc(NC(=O)N(C2CCCCC2)[C@@H](C)c2ccncc2)cc1 2965278 XEYVOAAFCVJQIS-KRWDZBQOSA-N 367.493 5.408 0 3 FKAF CCCSC(Cn1ccnc1)(SCCC)c1ccc2ccccc2c1 5114713 ULTTXWRPTOQRTN-UHFFFAOYSA-N 370.587 6.176 0 1 FKAF Cc1ccc(-c2cc([C@H]3[C@@H](c4ccc(C)cc4)C[C@@H]4CC[C@H]3N4C)on2)cc1 13532744 IQNHMRJZPKQKFD-JIEYXDDVSA-N 372.512 5.692 0 1 FKAF CC(C)(CCCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O 26183448 DKTPROQLLLQASY-UHFFFAOYSA-N 356.547 6.279 0 1 FKAF CCOc1ccc(Cc2ccc([C@@H](C)C(=O)O)c3cc(OC)ccc23)cc1 26639146 DKJXXPSZIQEGTO-OAHLLOKOSA-N 364.441 5.026 0 1 FKAF Cc1ccc2c3c(ccc2c1)OC(=O)C[C@@H]3c1ccc(-c2ccccc2)cc1 29151406 PUBZREAWHHHCSP-HSZRJFAPSA-N 364.444 6.256 0 1 FKAF C[C@H]1N=C(S)N(Nc2cc(Cl)ccc2Cl)[C@@H]1c1ccccc1 29330153 QWHAZJTXPSTYRY-BMIGLBTASA-N 352.290 5.052 0 1 FKAF CC[C@@H]1CN=C(c2ccc(OCCCCCCCc3cc(C)no3)cc2)O1 29476268 QRPIWNUTACOLFN-LJQANCHMSA-N 370.493 5.110 0 1 FKAF CC[C@H](C)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801285 DAXMFHJYAYLAJM-BSJZCABSSA-N 373.581 5.081 0 1 FKAF Cc1cc(-c2ccc3c4c([nH]c3c2F)-c2ccc(C(N)=O)cc2C4)ccc1F 34892947 STMUBVGRMUFAPQ-UHFFFAOYSA-N 374.390 5.092 0 1 FKAF CCCCSCSC[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 40641481 WQIBDBVSAJGYND-VBIQUALKSA-N 372.596 5.205 0 1 FKAF CC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCC1 40873380 PGANSUZFUPXVME-UHFFFAOYSA-N 371.912 5.522 0 1 FKAF O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2Cl)nc1 43203073 SIQAMGKXKZACQL-UHFFFAOYSA-N 365.820 5.116 0 1 FKAF CCCCCNc1ncnc2c1nc(-c1ccsc1)n2C[C@@H](C)CC 82186480 VEDUNYBPWIUCNU-AWEZNQCLSA-N 357.527 5.203 0 1 FKAF CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1/C=C/c1ccccc1 103529995 XGTJDEYXEAJTOR-KGMIPIKDSA-N 359.429 5.203 0 1 FKAF COc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 113654615 MOGYPQBWQDORPP-UHFFFAOYSA-N 369.468 5.015 0 1 FKAF Fc1ccc(Nc2ccc(Oc3ncccc3-c3ccncc3)cc2)nc1 147991816 RXYNCXQLCZANTO-UHFFFAOYSA-N 358.376 5.214 0 1 FKAF CCCCOc1cc2nc(C3(CCC)CCC3)[nH]c2cc1Br 586877834 RLBYZAXYFMFSHS-UHFFFAOYSA-N 365.315 5.726 0 1 FKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(N)c1 586997969 WZSVRRXHKGZLJT-UHFFFAOYSA-N 366.420 5.012 0 1 FKAF Fc1cc(Br)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1 587024792 CRBLUUAMMHDQHC-UHFFFAOYSA-N 373.250 5.860 0 1 FKAF Cc1c(Cl)ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587083732 IOAHTASQQNHVLB-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1F 587150403 DEZAMRPCGSHYOZ-ZJUUUORDSA-N 372.724 5.784 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1ccccc1)CCC3 587207532 MYEYWKQRPNYGFZ-KRWDZBQOSA-N 361.444 5.914 0 1 FKAF CC[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587374684 IXMSOICPQQYBOZ-SFHVURJKSA-N 350.245 5.155 0 1 FKAF Cc1ccc(Oc2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587403489 NLUOBYNVKOXRRW-JOCHJYFZSA-N 359.425 5.384 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](c3ccc(F)cc3)C1)CC2=O 587470123 DNWPZYAWABVZBS-OYHNWAKOSA-N 354.421 5.156 0 1 FKAF O=C1C[C@@H](c2cc(-c3ccc(F)cc3)on2)Oc2c1ccc1c2CCCC1 587502113 BPHOJWBUFMWBCG-NRFANRHFSA-N 363.388 5.066 0 1 FKAF O=C1C[C@@H](c2cccc(-c3ccsc3)n2)Oc2c1ccc1c2CCCC1 587534605 CSIDVPFPGCEVRK-NRFANRHFSA-N 361.466 5.395 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1-n1nc(C(F)(F)F)cc1C1CC1 587625029 ZLPQGYXJYPSPSN-UHFFFAOYSA-N 353.775 5.520 0 1 FKAF CCCOc1cccc(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587777795 CMNNHUWTTIVECQ-UHFFFAOYSA-N 358.441 5.735 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(Br)c(C)nc2[nH]1 587951354 SYLSPVJMJZZKAC-NVBFEUDRSA-N 366.303 5.075 0 1 FKAF Clc1cnc2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1Cl 587955982 MYGRIBQHNMXLSJ-HNNXBMFYSA-N 368.267 5.639 0 1 FKAF CC[C@H](c1cccc(OC)c1)[C@]1(CC)c2ccc(F)cc2C[C@@H]2CCCN21 963106844 NZBPTWIBRUYVQS-BGWNEDDSSA-N 367.508 5.654 0 1 FKAF CC(C)CCCCCCCCCCCCC=C1C[C@@](C)(CO)OC1=O 2356688799 MMCFPAFBIBXHTL-QFIPXVFZSA-N 352.559 5.948 0 1 FKAF CCCC/C=C(/c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1 13605661 RIMXSFHITCMBCL-OPVMPGTRSA-N 367.533 5.735 0 1 FKAF c1ccc2c[n+](CCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1 13859957 GMXBRECDYFCFAU-UHFFFAOYSA-N 370.540 5.609 0 1 FKAF CCCO[C@@H]1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 26994021 PDCKFSAAPNNPMC-OAQYLSRUSA-N 353.437 5.918 0 1 FKAF CC(C)(C)c1cccc2c(C(=O)O)c(O)c(-c3ccc(Cl)cc3)nc12 28604522 NZWFQLPDYGLBOA-UHFFFAOYSA-N 355.821 5.257 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1CC3 33820919 WISDZOWIDKBWMI-VWSJZJABSA-N 372.549 5.780 0 1 FKAF CCCCCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40499125 MHABHCAJOQWEKI-NJAFHUGGSA-N 374.546 5.618 0 1 FKAF Cc1ccc(CN2C(=O)Cc3c([nH]c4ccccc34)-c3ccccc32)cc1 45285497 PSPWZGBZRWYJLW-UHFFFAOYSA-N 352.437 5.233 0 1 FKAF COC(=O)c1sc2cc(-c3ccc(-c4cccs4)s3)cnc2c1N 66262350 VAYZTCSEOHKXML-UHFFFAOYSA-N 372.496 5.122 0 1 FKAF c1ccc(CNc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)cc1 82068809 UBXIMHRNMQDLLH-UHFFFAOYSA-N 367.408 5.780 0 1 FKAF CC(C)(C)C(=O)Oc1ccc(-c2c(-c3ccccc3)nc3ccccn23)cc1 95577181 NEKJAWUEASJZHO-UHFFFAOYSA-N 370.452 5.620 0 1 FKAF CC(=O)OC[C@H]1CCO[C@]2(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 140142086 ZQSXEOHDZPOEDT-BZEYQNPTSA-N 350.543 5.368 0 1 FKAF Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccccc2)n1 141939785 ZYXHTGVYFQWAJX-MRXNPFEDSA-N 369.472 5.026 0 1 FKAF COc1cccc(CNc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1 142392163 LCDJEZRIDGBLKI-UHFFFAOYSA-N 359.429 5.127 0 1 FKAF CC(C)(C)[C@@]1(O)CCN2C[C@H]3CCc4ccccc4-c4cccc(c43)[C@H]2C1 169337518 QALOPIQRQWRCTP-YBGOQADZSA-N 361.529 5.311 0 1 FKAF CSc1nn(-c2ccccc2)c2cc(/C=C/c3ccc(C)nc3)ccc12 169706063 BEKQXFWAIALBRG-ZHACJKMWSA-N 357.482 5.621 0 1 FKAF FC(F)(F)c1cnc2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587050050 OFBGZSQKESQHES-IUCAKERBSA-N 372.177 5.555 0 1 FKAF COc1ccc(Cl)c(-c2ccc(-c3nc4c(C)ccnc4[nH]3)cc2F)c1 587142945 HKJTVLDPRIGPAQ-UHFFFAOYSA-N 367.811 5.401 0 1 FKAF Fc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c(F)c1F 587196804 XGGHQRHJGSUMEO-UHFFFAOYSA-N 367.374 5.187 0 1 FKAF CC(C)[C@]1(C)CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352601 MSQLLSTUZNOWOF-YMPZKCBVSA-N 368.448 5.475 0 1 FKAF Cc1ccc(Oc2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587402462 DFHNRJUUWFLVSP-JOCHJYFZSA-N 359.425 5.384 0 1 FKAF O=C1C[C@H](c2ccc(OC(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587509774 WGTXRSAXVJJMDX-GOSISDBHSA-N 362.347 5.171 0 1 FKAF C[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccsc2S1 587535410 KPOCBKKOIUICAJ-YUNKPMOVSA-N 356.512 5.372 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)F)cc1 587556971 PNYUTZOBOQTLTK-PXNSSMCTSA-N 368.335 5.033 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H]2C[C@H]3CC[C@H]2C3)N1 587816657 ZOTFBJOAVLLAKV-BLGBQTEISA-N 366.318 5.164 0 1 FKAF CC(C)CC[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587817784 BAJUNQJXWHMGGN-FRIZHTMISA-N 368.334 5.554 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](C3CCCC3)C2)N1 587819676 WMFCIKHMSPDABI-XFHNUULXSA-N 366.318 5.308 0 1 FKAF CC1=CC(C)(C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587819988 XQXXKOQURTVVNW-KPZWWZAWSA-N 352.291 5.084 0 1 FKAF Cc1nc(N[C@H]2CCNc3ccccc32)cc(-c2ccc3ncsc3c2)n1 653681062 YYZBALYZYROQOP-KRWDZBQOSA-N 373.485 5.031 0 1 FKAF Cc1c(F)ccc2c1[C@](Cc1c(F)cccc1Cl)(c1ccoc1)NCC2 962142796 FVWYDAPNMIJVNL-NRFANRHFSA-N 373.830 5.152 0 1 FKAF Fc1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1Cl 962712267 QUIFQMBVEMLDQE-DJJJIMSYSA-N 365.876 5.071 0 1 FKAF Cc1cccc([C@]2(c3ccccc3C)c3ccc(F)cc3C[C@H]3CCCN32)n1 963099740 PRERPOSBLVFUBA-BWKNWUBXSA-N 372.487 5.150 0 1 FKAF C[C@@H]1CC[C@@H]2CC[C@@H]3C(=C[C@@]4(C)[C@@H]3[C@H]3C(C)(C)CC[C@@]3(CO)C[C@H]4O)[C@@]12C 2356452368 NCEYLDMAYOKQNV-JJTAMVQASA-N 372.593 5.191 0 1 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C)=CC[C@H]32)C1 2356460906 ODQOCJVSQCAFKC-ZYTRRFRZSA-N 358.614 5.104 0 1 FKAF O[C@H](c1cccc(Cl)c1)c1nc(-c2cnc3ccccc3c2)cs1 61906041 ALUWWDQBTSBBGA-GOSISDBHSA-N 352.846 5.093 0 3 FKAF Cc1cc(Br)cn2c(Cc3ccsc3)c(C(C)(C)C)nc12 72137810 LFMWXXYKBHFDCU-UHFFFAOYSA-N 363.324 5.355 0 3 FKAF Cc1ccc2c(c1)[C@@H](C(=O)Nc1c(C)cccc1C)c1ccccc1CO2 13735131 LGHRLLBSGIWZIP-QFIPXVFZSA-N 357.453 5.275 0 1 FKAF CCN(CC)Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1 13864633 KBIZJIPTQDLSTP-UHFFFAOYSA-N 359.473 5.186 0 1 FKAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cccnc1 26499260 MXMFCEUTOXUVHB-MMMPSHNZSA-N 351.534 5.489 0 1 FKAF CCc1noc(CC)c1CCCCCCOc1ccccc1C(F)(F)F 27861575 RGYNDYPQKWBHDZ-UHFFFAOYSA-N 369.427 6.000 0 1 FKAF Fc1ccc(-n2ccc([C@@H](c3ccc(Cl)cc3)n3ccnc3)c2)cc1 28230329 DIYSLQICFHBTQL-HXUWFJFHSA-N 351.812 5.104 0 1 FKAF COc1ccccc1Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(C)CC3 28232141 GSTLOBWALMJLTE-XZDHIHRUSA-N 363.501 5.176 0 1 FKAF CN1C(=O)OC(C)(C)c2cc(Nc3cccc(Cl)c3Cl)ccc21 28878562 ZQZNDFUDOUHMRP-UHFFFAOYSA-N 351.233 5.559 0 1 FKAF CCc1ccc(N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)cc1 45358723 VHNQHUDOXJMSFP-UHFFFAOYSA-N 354.837 5.142 0 1 FKAF Cc1cc(Oc2cccc(Cn3ccc4ccccc43)c2)cc(C)c1Cl 95584728 KWPBRJKWIKCNEJ-UHFFFAOYSA-N 361.872 6.752 0 1 FKAF COc1cc(F)c(-c2c(Cl)nc(C)n2-c2ccc(Cl)cc2)c(F)c1 115167655 OSVPLBBVCUMPTJ-UHFFFAOYSA-N 369.198 5.441 0 1 FKAF C[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 142116655 ZEEIEVIXJBFZCH-YAOPJMOGSA-N 374.609 5.723 0 1 FKAF COc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1 143437787 OXPQNZRTSXRDJO-UHFFFAOYSA-N 369.424 5.688 0 1 FKAF CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCCN)cc1)c1ccccc1 220019943 XRAVWADHQWKRJC-OCOZRVBESA-N 373.496 5.489 0 1 FKAF O=C(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccc(F)cc1 299827511 KIPIDTOPDPQPPF-UHFFFAOYSA-N 367.832 5.987 0 1 FKAF Cc1ccc(-c2cnc(C3(NCCCc4ccccc4)CCCC3)[nH]2)cc1 473087948 GVISUBQWLGSANK-UHFFFAOYSA-N 359.517 5.377 0 1 FKAF CC[C@]1(C)C[C@@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 586889819 MZMSMJVLNPNOCJ-OPAMFIHVSA-N 374.444 5.192 0 1 FKAF CC(C)(C)c1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587017886 SFEIPQCHACDJLL-UHFFFAOYSA-N 368.893 5.699 0 1 FKAF CCc1ccc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2c1 587044653 KXLGTDWPUAEJIY-UHFFFAOYSA-N 351.233 5.116 0 1 FKAF Cc1c(-c2nc3ccc(OC(C)C)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165747 BTFUNDGXZXTICP-UHFFFAOYSA-N 363.436 5.470 0 1 FKAF CC(C)CC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359031 ZJJSJFQRCBEQKJ-GGAORHGYSA-N 368.448 5.475 0 1 FKAF CC(C)C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359145 ZOXMTKAWWDDADI-REWPJTCUSA-N 370.464 5.721 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1csc4ccc(Cl)cc14)[C@@H](C2)C3=O 587451114 ICEKZMWMFDYVEP-ORAYPTAESA-N 356.830 5.052 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)c(Cl)c1)CC2=O 587463525 YEZKYPNUWWUQRW-LJQANCHMSA-N 360.837 5.103 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(OC)ccc3ccccc13)CC2=O 587481985 QWBFLCBMEDFBTI-OAQYLSRUSA-N 362.425 5.213 0 1 FKAF O=C1C[C@@H](c2c[nH]c3ccc(Cl)cc23)Oc2c1ccc1c2CCCC1 587497038 DWLIJVHSGHGQHH-FQEVSTJZSA-N 351.833 5.407 0 1 FKAF Cc1ccc(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587534802 YTXPMWSWCGCXEU-HSZRJFAPSA-N 358.437 5.840 0 1 FKAF CCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601723 GTKYJCUOECPLEH-NZQKXSOJSA-N 360.409 5.049 0 1 FKAF Cc1cc(Cl)cc2c(OCc3ccccc3)c(-c3ccc(F)cc3)[nH]c12 587624064 BZESROIBNIAJPC-UHFFFAOYSA-N 365.835 6.515 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(F)=C(F)F)N1 587702124 DAJHXIBDCPDLRV-GLEZIHRCSA-N 366.196 5.195 0 1 FKAF CCCC[C@H](CC)C[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587817221 AKZFKXIHWGICJS-ZJNRKIDTSA-N 356.323 5.770 0 1 FKAF CC(C)=C1CC[C@@H](C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587819243 UNWPOCBLRPALAR-VPZZIHKRSA-N 366.318 5.474 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCCCCCC2)N1 587823165 OQFPXLPXADHGFU-KPZWWZAWSA-N 354.307 5.524 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587824492 XBHVTBWTJPSLLJ-IZSNYMMISA-N 368.334 5.410 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cs2)N1 587844877 CJWLQNBLYABWHL-VXJOIVPMSA-N 374.706 5.101 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)cc1 587936638 WWVXDKMIOIBVGB-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF CC[C@H](C)[C@@]1(c2ccccc2OC)c2ccc(F)cc2C[C@H]2CCCN21 963106204 JVAHUILUCWRHOY-QUZZAMIASA-N 353.481 5.145 0 1 FKAF O=C(Nc1nccs1)c1cc(-c2ccccc2)c(C(F)(F)F)s1 1857579715 CJRRELYLKIEHNL-UHFFFAOYSA-N 354.378 5.143 0 1 FKAF CC(C)[C@@H]1CC=C2[C@H](O)CC[C@H](C)[C@@]2(C)[C@@H]1OC(=O)C=Cc1ccccc1 2356430419 KSKDEVFGRYPGMM-IJOSHRKSSA-N 368.517 5.011 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCOc1ccc(CCC(=O)O)cc1 2356486857 GWEOLLCXJGXWOD-UHFFFAOYSA-N 370.533 6.502 0 1 FKAF O=C(c1ccccc1)c1cc(O)c(-c2cc(Cl)ccc2Cl)c(O)c1 2382232284 TTWCENQSSDZJFV-UHFFFAOYSA-N 359.208 5.303 0 1 FKAF O=CNc1cc(-c2ccccc2)cn2c(-c3ccc(F)c(Cl)c3)cnc12 61908270 IFBOXEURBLKSPY-UHFFFAOYSA-N 365.795 5.029 0 3 FKAF COC(=O)[C@@]12CCCC(C)(C)[C@@H]1C=Cc1cc(C(C)C)c(OC)c(OC)c12 13480775 YSNDSABGXVFRFW-SBUREZEXSA-N 372.505 5.091 0 1 FKAF biogenic CCCCCOC(=O)C[C@@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)cc1 28757873 RWCNBCAALKZWTQ-YADHBBJMSA-N 370.489 5.499 0 1 FKAF Clc1ccc(C[C@@H](Cn2ccnc2)c2ccccc2Cl)c(Cl)c1 33493860 JFBAEZDHQNJUHL-AWEZNQCLSA-N 365.691 5.870 0 1 FKAF Cc1ccccc1NC(=O)CSc1nccn1-c1cccc2ccccc12 33817163 TYDCEBHOKVIHEV-UHFFFAOYSA-N 373.481 5.065 0 1 FKAF O=C(c1ccccc1)c1sc(NCc2cccs2)nc1-c1ccco1 34804177 IYYGANUHKCRQPE-UHFFFAOYSA-N 366.467 5.308 0 1 FKAF Cc1cc(C(C)(c2ccc(O)cc2)c2cc(C)c(N)c(C)c2)cc(C)c1N 35791360 JZUKWQBJDHQAOG-UHFFFAOYSA-N 360.501 5.145 0 1 FKAF Cc1ccc(NC(=O)O[C@@H](Cn2nc(C(C)C)cc2C(C)C)C(C)C)cc1 40401154 SPYCKQAFZPVWFL-NRFANRHFSA-N 371.525 5.712 0 1 FKAF CCC[C@H](C)C(=O)N1c2ccccc2-c2ccccc2[C@H]1c1cccs1 40412213 DCTXKHYTXQFCET-AOMKIAJQSA-N 361.510 6.287 0 1 FKAF O=C(Nc1ccccc1)c1cc2cc(-c3cccc(O)c3)ccc2cc1O 40879320 HEWIHYKATGWOKZ-UHFFFAOYSA-N 355.393 5.170 0 1 FKAF COc1ccc(Oc2cncc(NCC3CCCCC3)n2)c2ccccc12 82068630 LNBXQNHOHBSQBF-UHFFFAOYSA-N 363.461 5.423 0 1 FKAF CCCCCOc1cc(NC(=O)N[C@@H](C)c2ccccc2)cc(OC)c1 95562731 CHUKSHPJSWLECQ-INIZCTEOSA-N 356.466 5.147 0 1 FKAF c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc4ccccc4c3)nnc1-2 96173941 JQJOACFPEKRBKA-UHFFFAOYSA-N 361.408 5.207 0 1 FKAF c1ccc(-n2cnc3ccc(OCc4ccc5ccccc5n4)cc32)cc1 103247856 CLRZKWDDCHPPFI-UHFFFAOYSA-N 351.409 5.153 0 1 FKAF Clc1cccc(-c2nncn2-c2ccc3nc(-c4ccccc4)oc3c2)c1 103290527 QJKSJUZIESZRQA-UHFFFAOYSA-N 372.815 5.396 0 1 FKAF CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1ccccc1Cl 104005178 FWZPSDXVGTVQHP-NRFANRHFSA-N 366.848 5.516 0 1 FKAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(C2=CCCCC2)c1 113791922 MVYWOWPFJZVHIE-UHFFFAOYSA-N 355.821 5.248 0 1 FKAF COc1cc(/C=C\c2nc3c(C)nccc3[nH]2)cc(Cl)c1OCC(C)C 587046833 MYZCXHJTXDJOIN-WAYWQWQTSA-N 371.868 5.134 0 1 FKAF COc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587048027 FNIPUAOBXYBMAY-DTWKUNHWSA-N 367.663 5.803 0 1 FKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2cnc3ccccc3c2[nH]1 587048732 JUDFAIPXHQSZSI-NEPJUHHUSA-N 354.240 5.689 0 1 FKAF COc1cccc(-c2ccc(-c3nc4ccnc(Cl)c4[nH]3)c(Cl)c2)c1 587052655 ZYAXBVAKRDLFPG-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF Cc1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1Br 587097476 JDKPEZWEKQGDFX-UHFFFAOYSA-N 369.184 5.243 0 1 FKAF CC[C@@H](C)[C@H]1CC(=O)Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587101866 WWOWAGGOGUCEGZ-BFUOFWGJSA-N 369.464 5.400 0 1 FKAF Fc1ccc(/C=C(\c2nc3ccc(Cl)nc3[nH]2)c2cccs2)cc1 587164297 POJWZUNUISHPID-RAXLEYEMSA-N 355.825 5.401 0 1 FKAF Fc1ccc2[nH]c(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c(Cl)c2c1 587174021 CEZDWZLZOSRSGK-UHFFFAOYSA-N 356.134 5.435 0 1 FKAF CC1(C)[C@H]2CC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@@H]1C2 587352175 LZJFIFNPGCMBNG-KYIDPCAQSA-N 366.432 5.085 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3Cl)o1)O2 587379949 YVFKBELRLQFNQR-LJQANCHMSA-N 353.805 5.197 0 1 FKAF CCC[C@]1([C@@H](CC)Sc2ccoc2C)CC(=O)c2cc(C)cc(N)c2O1 587407824 CJNXMXCGHYYXIQ-TZIWHRDSSA-N 373.518 5.554 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ccc(Cl)cc3)n1)O2 587415111 WYLZCSRDQQFCPH-KRWDZBQOSA-N 370.861 5.061 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1C(F)(F)F)CC2=O 587462783 STZUEENLHGDZCP-KRWDZBQOSA-N 368.326 5.209 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3F)o1)CC2=O 587466265 KAGLDTWYAHFUGG-NRFANRHFSA-N 366.388 5.450 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)n(C)c3ccccc13)CC2=O 587470146 IOZKAQYOBXGRIV-QHCPKHFHSA-N 363.457 5.025 0 1 FKAF C[C@@]1(c2cc3cccc(F)c3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587503313 DVUBLWQOMHBRBD-QFIPXVFZSA-N 350.389 5.331 0 1 FKAF O=C1C[C@@](CCc2ccccc2)(C(F)F)Oc2c1ccc1c2CCCC1 587507377 PUEUXZFPFJICIZ-QFIPXVFZSA-N 356.412 5.167 0 1 FKAF C[C@@H]1C[C@H](c2ccccc2)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587526833 TXPAOEZGMKVQHQ-AUBMYDRESA-N 360.497 5.873 0 1 FKAF O=C1C[C@@](c2cc3ccccc3o2)(C2CC2)Oc2c1ccc1c2CCCC1 587532747 NORPNNAYMIWHBS-DEOSSOPVSA-N 358.437 5.582 0 1 FKAF CCCC1CCC([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587818522 FDNDFXYXHKKVMY-HKWLTPLLSA-N 368.334 5.770 0 1 FKAF COc1ccc(-c2cccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)cc1 587934482 AUGGJQKTXAHAOA-UHFFFAOYSA-N 372.321 5.462 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2cc(Br)c(C)c(C)c2[nH]1 587954821 GGIWJQRIAUMMDM-UHFFFAOYSA-N 357.295 5.577 0 1 FKAF FC(F)(F)c1cccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587960439 CGHAWUWVJRJQDE-UHFFFAOYSA-N 352.359 5.840 0 1 FKAF CCCC/C=C\c1nc2cc(OCCCC)c(Br)cc2[nH]1 587966871 YWGJSRGNNVNMQH-HJWRWDBZSA-N 351.288 5.708 0 1 FKAF Fc1cc(Br)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 587969053 YIHKULRRMBTANH-UHFFFAOYSA-N 361.258 5.304 0 1 FKAF CN1CCC[C@H](c2ccc3c(c2)CC[C@@H]3N(C)Cc2ccc(Cl)cc2)C1 653805863 UOBRTKRGDGOYCS-REWPJTCUSA-N 368.952 5.269 0 1 FKAF Cc1ccc2cc([C@]3(C)NCCc4cccc(-c5ccccc5)c43)oc2c1 962666950 UHQIGNDAGOOXGZ-VWLOTQADSA-N 353.465 5.817 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(C(F)(F)F)cc2)N1 962949279 LDUIVCMPEVKRJU-YWZLYKJASA-N 358.407 5.375 0 1 FKAF Cc1cccc2ccc3c(c12)CC[C@]1(C)C3=CC[C@@H]1[C@H](C)C=C[C@@H](C)C(C)C 2356719710 FPQQKAKTGXPOSV-TXNHNGTOSA-N 372.596 7.988 0 1 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(-c2ccccc2)cc1-3 13490445 ZLWINLVDXSESKM-UHFFFAOYSA-N 353.465 6.520 0 1 FKAF C[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@]1(C)CCN2Cc1ccccc1 13742447 RFIKUGPYXNCFAU-NQERJWCQSA-N 370.334 5.174 0 1 FKAF C=CCSCC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 14947070 CXNFNILHSODEJG-CQIJRDABSA-N 370.558 5.297 0 1 FKAF FC(F)(F)c1cccc2c(-c3ccccc3)n(Cc3ccccc3)nc12 40874008 LGRUCHCYEMOENE-UHFFFAOYSA-N 352.359 5.770 0 1 FKAF in-vivo Cc1cc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)ccc1Cl 72109859 BEOHGEYECJBQPN-JOCHJYFZSA-N 357.925 5.977 0 1 FKAF Cc1ccc(NS(=O)(=O)c2cc(C)c3cc(C(C)C)ccc(C)c2-3)cc1 72125147 CENKMHNVTJDSJX-UHFFFAOYSA-N 367.514 5.641 0 1 FKAF COc1ccc(Cn2c(-c3ccccc3)nc3c4ccccc4ncc32)cc1 72176500 GOMXGEMLQLSYBC-UHFFFAOYSA-N 365.436 5.308 0 1 FKAF [O-][n+]1ccc2c(-c3ccc(F)cc3F)ccnc2c1-c1ccccc1Cl 73160469 JKDZPMYNOISXOZ-UHFFFAOYSA-N 368.770 5.134 0 1 FKAF C[C@@H]1C[C@H](Nc2cncc(Oc3cccc4cccnc34)n2)CC(C)(C)C1 82068848 CYQXDVWAQVZYCP-WBVHZDCISA-N 362.477 5.444 0 1 FKAF CCn1ccc2c3c(Cn4ccnc4)cc(-c4ccccc4)nc3ccc21 96285999 ZFYXQRAKMAWFHN-UHFFFAOYSA-N 352.441 5.121 0 1 FKAF CCCn1nnc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 103208839 FQCPDANIUNDLLQ-UHFFFAOYSA-N 366.679 5.982 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4CCC(=O)CC[C@@]43C)[C@@H]1CC=C2n1ccnc1 144244782 ACVRMCWZFWAXRI-CWMMHYCISA-N 350.506 5.256 0 1 FKAF COc1ccc(CCN(C)CCCN(c2ccccc2)c2ccccc2)cc1 147487200 ITQUBJHNAVARPO-UHFFFAOYSA-N 374.528 5.398 0 1 FKAF C[C@H]1CCC2=C(C1)c1c(O)cc([C@@H](C)CCCN(C)C)cc1OC2(C)C 169343254 UXALZDQQEPFNDH-HOTGVXAUSA-N 357.538 5.582 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3[nH]ccc3c2)n1 205343021 IZWHYSTXCNTOJZ-OAQYLSRUSA-N 354.457 5.423 0 1 FKAF O=C(O)c1c[nH]c2cc(F)c(-c3ccc([C@H]4CCCCO4)cc3)c(F)c12 205355082 JQJNGAWEMYQJIQ-MRXNPFEDSA-N 357.356 5.053 0 1 FKAF O=C(CCCCN1[C@H]2CCC[C@H]1c1c([nH]c3ccccc13)C2)c1ccccc1 253695067 YRSRTQZYVZWNKO-CVDCTZTESA-N 372.512 5.673 0 1 FKAF COc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)o2)cc1 299840122 UNGCFCRFUNEVBG-UHFFFAOYSA-N 371.396 5.077 0 1 FKAF CSc1cccc(N=c2[nH]c(-c3ccc(Cl)c(Cl)c3)cs2)c1 473091498 ZAHZVYMQBNJSKW-UHFFFAOYSA-N 367.326 6.004 0 1 FKAF Cc1cccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587073691 MZDGSUCGOJYRPP-CAPFRKAQSA-N 372.899 6.698 0 1 FKAF CCOc1cc(/C=C/c2nc3cc(F)cc(F)c3[nH]2)ccc1OC(F)F 587131388 ZLLHLGLTFPEUCE-GQCTYLIASA-N 366.314 5.012 0 1 FKAF Cc1cc(Br)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1F 587137664 DXZIAGXJEYXVHC-UHFFFAOYSA-N 373.147 5.459 0 1 FKAF COc1cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2cc1OC 587145798 RCHXBHKOEQXOMM-UHFFFAOYSA-N 366.367 5.192 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4ccnc(O)c4[nH]3)c(Cl)c2)cc1F 587146115 ZXRRWIHFGBKDIY-UHFFFAOYSA-N 353.784 5.098 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587153654 XLYQRUMLROLRQZ-UHFFFAOYSA-N 360.285 5.592 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(C)c(Br)cc2[nH]1 587155202 KLHFEBZKOLJRRU-OAHLLOKOSA-N 363.230 5.303 0 1 FKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587195742 LRURZLDIDSZHFX-SNVBAGLBSA-N 367.802 5.453 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(CC[C@@H]1C(C)=CCCC1(C)C)[C@@H](C2)C3=O 587446255 VNRXAKVXGLHITG-IEGUWTFLSA-N 354.490 5.364 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1F)(C1CCCC1)CC2=O 587467080 PYUKKANMMHXXCC-HSZRJFAPSA-N 368.448 5.535 0 1 FKAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2ccc(Cl)cc2)cc1 587623863 ALVYDPNYWWJAJZ-UHFFFAOYSA-N 366.291 7.426 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)C(F)F)c(-c3ccc(Cl)cc3)[nH]c12 587624850 VAIYDTACZWXHCS-UHFFFAOYSA-N 354.183 5.898 0 1 FKAF O=C(O)c1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(Cl)c(Cl)c1 587628344 LGRJMCKFVRIJRE-UHFFFAOYSA-N 358.583 5.632 0 1 FKAF CC(C)CCNC(=O)c1cc(Cc2ccccc2)cc(Oc2ccccc2)n1 653717546 QHGYOBTZFRWEKR-UHFFFAOYSA-N 374.484 5.241 0 1 FKAF COc1ccc(C[C@H](C)[C@@H]2NCCc3cccc(-c4ccccc4)c32)cc1 962666904 UARLKDZHONFUGO-BVZFJXPGSA-N 357.497 5.428 0 1 FKAF CC(C)=CCC[C@H](C)[C@H](C)[C@@H]1c2ccsc2CCN1Cc1cccnc1 963002006 YOGSCWCTFAWOMH-SFYKDHMMSA-N 368.590 6.261 0 1 FKAF C[C@@]1(c2cccc(OC(F)(F)F)c2)c2c(F)cccc2C[C@@H]2CCCN21 963109598 MGJIINCAEOKDKQ-HNAYVOBHSA-N 365.370 5.008 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CC[C@]1(O)Oc2cc(O)ccc2C1=O 2356524980 RYTFXRQJSOROHC-QHCPKHFHSA-N 370.489 5.465 0 1 FKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@@H](C(C)=O)[C@]4(C)CC[C@@H]32)C1 2356615761 JUAATDNYHZEPLN-ONCXAFAASA-N 358.522 5.086 0 1 FKAF COc1cccc(-c2ccc(C=CCN3CCCCCC3)cc2Cl)c1 2356873226 ZDPINFKDQWCRTF-UHFFFAOYSA-N 355.909 5.905 0 1 FKAF CCCn1c([C@H](C)Nc2nc(C)cs2)nc2cc(Cl)c(Cl)cc21 15935263 JBOPGHRZHLXDOH-JTQLQIEISA-N 369.321 5.691 0 3 FKAF COc1ccccc1-c1noc2nc(Oc3c(C)cccc3OC)ccc12 205223300 QBGUBQXOXIFFCB-UHFFFAOYSA-N 362.385 5.008 0 3 FKAF COc1ccc([C@@H](Cc2ccccc2)c2ccccc2)cc1OC1CCCC1 13441947 SFXSRVKSHRWBDA-DEOSSOPVSA-N 372.508 6.391 0 1 FKAF CC(=O)OC1=C(c2ccccc2)Sc2ccc(Cl)cc2-n2cccc21 13739859 LGSYIVFOVUECCT-UHFFFAOYSA-N 367.857 5.625 0 1 FKAF CCCCCc1cc(O)c2c(c1C(=O)OC)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 14722881 LKLZAPSGDVLPGH-IAGOWNOFSA-N 372.505 5.522 0 1 FKAF biogenic CC(C)Cn1cnc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccccc3)nc21 29130468 OFJGZUCUEZGBJJ-UHFFFAOYSA-N 373.504 5.442 0 1 FKAF Cc1cccc(Sc2c(C(C)C)c(CO)cn2Cc2ccncc2)c1 34892402 ABNWWXOMWPUHHV-UHFFFAOYSA-N 352.503 5.007 0 1 FKAF Cc1c/c(=N\C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2[nH]1 45202835 OMGUVFRVMIHRNS-UHFFFAOYSA-N 369.424 5.401 0 1 FKAF COc1cccc(Oc2ccc(-c3ccc([C@H](C)NC(C)=O)cc3)cc2)c1 45290032 ATCUKGSBKCZRMS-INIZCTEOSA-N 361.441 5.352 0 1 FKAF CC(=O)O/C=C1\C[C@@H](C)[C@](O)(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]12 59588303 BYUMYSPTNUHTMR-LRACIEDFSA-N 374.521 5.263 0 1 FKAF biogenic,in-vitro CCn1c(-c2ccc(O)cc2)nc(-c2ccc(O)cc2)c1-c1ccc(O)cc1 72105455 BAMQGUWWBKJQFG-UHFFFAOYSA-N 372.424 5.021 0 1 FKAF O=C(c1ccc2c(c1)OCO2)N1c2ccccc2Oc2ccc(Cl)cc21 72107375 WDLHAJUCTSPIJB-UHFFFAOYSA-N 365.772 5.153 0 1 FKAF C[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@]21CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1 100045795 QJVGPUYCCNEQKK-QJHFNJIPSA-N 369.549 5.534 0 1 FKAF O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3ccc(Cl)cc3S[C@@H]12 169715415 OKJHKQXUWBHPHS-ADLMAVQZSA-N 362.281 5.687 0 1 FKAF CCCNC(=O)NCCCCCCCCCCCCCCCC(=O)O 299827475 FXYVUPMENODVDL-UHFFFAOYSA-N 356.551 5.242 0 1 FKAF Cc1ccc(-n2ccnc2SCc2nc3cc(C)c(C)cc3[nH]2)c(C)c1 586966838 SSHOAIKXSQJMOO-UHFFFAOYSA-N 362.502 5.275 0 1 FKAF Clc1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c(Cl)n1 587022957 ALKLONFNYHCKFX-UHFFFAOYSA-N 353.259 5.117 0 1 FKAF Clc1ccc(CC2(c3nc4cc(Cl)cc(Cl)c4[nH]3)CC2)cc1 587073235 HUMSZKOBUILTLC-UHFFFAOYSA-N 351.664 5.797 0 1 FKAF FC(F)(F)Sc1ccc(/C=C\c2nc3cccc(Cl)c3[nH]2)cc1 587124133 INUGYIAWYFQFQN-TWGQIWQCSA-N 354.784 5.999 0 1 FKAF Cc1cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1C 587130633 WMKYUTJTHJENSL-QMMMGPOBSA-N 374.769 5.514 0 1 FKAF Cc1c(F)cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1F 587133429 WTESXTGPUMVRBH-UHFFFAOYSA-N 350.368 5.396 0 1 FKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc3ccccc3cc2[nH]1 587149219 IMJVUKSYBXRYAP-HSZRJFAPSA-N 367.427 6.057 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587154530 DCUINUVRDBQDAB-AWEZNQCLSA-N 372.749 5.904 0 1 FKAF CSc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587209444 PQPTXFCVNFTDIM-UHFFFAOYSA-N 353.446 5.835 0 1 FKAF C[C@H]1C[C@@H](C)C[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348106 CHJGYDDNIQYSGD-WPCGYXSLSA-N 354.421 5.085 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(SC(C)(C)C)cc1)[C@@H](C2)C3=O 587447977 GWMGSVFUHROKSQ-OXJNMPFZSA-N 354.471 5.075 0 1 FKAF CCCCCCc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)s1 587494312 KWJNGOABFTVALQ-HXUWFJFHSA-N 372.530 6.236 0 1 FKAF Cc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587529350 ADOGGXYBBHFWMD-QHCPKHFHSA-N 358.437 5.840 0 1 FKAF Cc1ccsc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587533492 VWXVUKRVDVUEMO-XMMPIXPASA-N 374.505 5.844 0 1 FKAF Fc1cc2c(-c3nc4ccccc4[nH]3)c(C(F)(F)F)[nH]c2cc1Cl 587630366 ZKQZDDPEZDPKFF-UHFFFAOYSA-N 353.706 5.523 0 1 FKAF Fc1cccc(-c2c(-c3ccc(Cl)c(Cl)c3)[nH]c3cccc(F)c23)c1 587634958 WIYNNCDKEUBNMX-UHFFFAOYSA-N 374.217 7.087 0 1 FKAF Fc1cc(F)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 587784577 RRKFSEOXHAXVKB-DHZHZOJOSA-N 362.379 5.591 0 1 FKAF C[C@H]1CC(C)(C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587822291 JRYOTMGKHNZWKB-IUUKEHGRSA-N 354.307 5.164 0 1 FKAF CC(C)[C@]1(C)CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587822846 MTCNVNPYCUGBFB-PJSAGSTRSA-N 354.307 5.164 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(SC(C)(C)C)nc3)n2)cc1 587925200 PYZMBXUBNZAYDU-UHFFFAOYSA-N 372.584 6.485 0 1 FKAF COc1ccc(-c2ccc3c(c2)/C(=C/c2[nH]c(C)cc2C)C(=O)N3)c(C)c1 653668787 XAUCYWHNIYHRHY-NDENLUEZSA-N 358.441 5.108 0 1 FKAF Clc1ccc2nc(-c3cccc(N4CCc5ccccc5C4)c3)[nH]c2c1 1857559000 RJRGCJZXVMFKSA-UHFFFAOYSA-N 359.860 5.446 0 1 FKAF Cc1ccccc1CNc1nc(C(F)(F)F)nc2sc3c(c12)CCC3 1857566345 XACUOYVXYFDIPL-UHFFFAOYSA-N 363.408 5.119 0 1 FKAF Nc1oc2c(-c3ccccc3Cl)nccc2c1Nc1ccc(F)c(F)c1 1857650328 UQTKKTGYJVIPPG-UHFFFAOYSA-N 371.774 5.752 0 1 FKAF COC(=O)C=C(C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)OC=O 2356304373 CEHXOVCCJGHXEP-YHDSQAASSA-N 364.526 5.060 0 1 FKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(OC)CC[C@]21C)C(C)C 2356397519 OHBIKPTYAYDBKX-SFJJLGKISA-N 362.554 5.737 0 1 FKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCOC(CO)CO 2356649801 ZPAKANBJNJVZNN-FDFHNCONSA-N 372.634 5.822 0 1 FKAF Clc1cccc(Cc2c(C3CCCCC3)nc3c4ccccc4ccn23)c1 95567895 SNURQZZHJQNPGN-UHFFFAOYSA-N 374.915 6.779 0 3 FKAF COc1cccc2c(N(C)c3ccccc3)nc(Nc3ccccc3C)nc12 596219 LPRAAPHEPRYBLH-UHFFFAOYSA-N 370.456 5.458 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C=C[C@]12C 3978679 KGXLWYQCBAUILI-CBUIXYJESA-N 372.549 5.491 0 1 FKAF CC[C@]1(c2ccccc2)Oc2cc3ccccc3cc2-n2cccc2C1=O 5846915 SYSCETALAQDPEZ-XMMPIXPASA-N 353.421 5.511 0 1 FKAF O=C(Nc1ccccc1)Nc1cnc2ccc(Cl)cc2c1-c1ccccc1 13737630 RGJVWQPFFSVENU-UHFFFAOYSA-N 373.843 6.199 0 1 FKAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1C 26662790 DNQCCHKBNYTYQU-UHFFFAOYSA-N 360.479 5.093 0 1 FKAF CC(C)N(Cc1ccco1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12 27985979 ZVIFMCQHRKDJCS-UHFFFAOYSA-N 372.468 5.408 0 1 FKAF CC[C@@H]1CCC[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 40373617 KAOWEHFUQIEFQN-LKDDOFHYSA-N 353.550 5.190 0 1 FKAF CCCCCCC1=C(c2ccccc2)[C@]2(OCCCCC)CCC[C@@H]2C1 71318389 YQLGLIAALNRVKL-NOZRDPDXSA-N 354.578 7.560 0 1 FKAF COc1ccc(C2=N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 84742058 OSCBYOFEILSZEM-XMMPIXPASA-N 365.432 5.777 0 1 FKAF C[C@H]1CC[C@H](c2nocc2-c2cc(-c3ccccc3)sc2C(=O)O)CC1 102137639 PPPOJTSWNHXDGM-OTVXOJSOSA-N 367.470 6.062 0 1 FKAF COC(=O)c1ccnc(NC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1 103299730 YKOKCKJHMDARHU-UBIAKTOFSA-N 356.510 5.699 0 1 FKAF Cc1ccc(Nc2cnc(-c3ccccc3Cl)c(C)c2)c(C(=O)O)c1 113898553 PLXBQFPFJPXSLH-UHFFFAOYSA-N 352.821 5.461 0 1 FKAF O=C(O)c1ccc2c(c1)nc(Nc1cc(F)cc(Cl)c1)c1ccsc12 167769836 JAABZIYXUCVUEY-UHFFFAOYSA-N 372.808 5.684 0 1 FKAF CC/C=C/c1c(COCc2ccccc2)cnc(C)c1OCc1ccccc1 169336791 LQTAOUQTUXETHP-SYZQJQIISA-N 373.496 6.109 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2cc(Br)c(C)nc2[nH]1 586883768 NMTOYBKMVYGVLS-UHFFFAOYSA-N 352.235 5.157 0 1 FKAF OCc1ccccc1-c1cccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 586894676 AYANQMVXVBIBPV-UHFFFAOYSA-N 370.239 5.091 0 1 FKAF OCc1ccccc1-c1cccc(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 586895391 YSUNQABODJBOJC-UHFFFAOYSA-N 352.796 5.182 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586963091 JXKOEOLONULOGN-NSHDSACASA-N 368.449 6.169 0 1 FKAF Cc1ccc(-n2ccnc2SCc2nc3cc(C)c(F)cc3[nH]2)c(C)c1 586966011 BHDWVZKNMAUXPF-UHFFFAOYSA-N 366.465 5.105 0 1 FKAF O=C1c2ccccc2-c2cc(-c3nccc4ccccc34)nc3ccc(O)c1c23 586988434 RJIBXRLJMXNXNW-UHFFFAOYSA-N 374.399 5.367 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(F)ccc4F)nc13)-c1ccccc1C2=O 586994672 BNVSKUCIJHJQFA-UHFFFAOYSA-N 357.359 5.700 0 1 FKAF Oc1ccc2scc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2c1 587032683 MWDCESZKFFWHRL-UHFFFAOYSA-N 352.312 5.308 0 1 FKAF C[C@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccccc1C(F)(F)F 587099032 VZHRKRHYCSOGOI-QMMMGPOBSA-N 370.277 5.055 0 1 FKAF Cc1c(-c2ccc(O)cc2O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587102660 ZFPADDBGBJARFQ-UHFFFAOYSA-N 367.404 5.141 0 1 FKAF Fc1ccc(F)c(SCc2cccc(-c3nc4ccccc4[nH]3)c2)c1 587140485 BGZNLZNHKZENKR-UHFFFAOYSA-N 352.409 5.800 0 1 FKAF O=NCc1ccc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)cc1 587189592 CELUPFNPZVWMQB-UHFFFAOYSA-N 370.437 5.773 0 1 FKAF CC(C)CCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358953 ZCUGHKVEVYCPPK-UNMCSNQZSA-N 356.437 5.475 0 1 FKAF CCCC[C@@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587366986 PEVCPKNIQZFDHS-MRXNPFEDSA-N 371.480 6.877 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H]3C(C)C)c1 587367433 QGCZYSAOMWXJAA-KRWDZBQOSA-N 357.453 6.342 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCc1ccccc1)(c1ccccc1)O2 587403228 LFEPVXGPJPHPDJ-RUZDIDTESA-N 371.480 5.461 0 1 FKAF O=C1C[C@@H](CCc2c(F)cccc2Cl)Oc2c1ccc1c2CCCC1 587508082 RMBWPVCIKSGJLT-CQSZACIVSA-N 358.840 5.325 0 1 FKAF O=C1C[C@@]2(CCCCc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 587510838 XCTRQCRSPJWAJM-HSZRJFAPSA-N 350.433 5.292 0 1 FKAF O=C1C[C@](c2cc3ccccc3o2)(C2CC2)Oc2c1ccc1c2CCCC1 587532749 NORPNNAYMIWHBS-XMMPIXPASA-N 358.437 5.582 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CC1CCCCCC1 587602392 JUPWMUQTDAGWIB-PMACEKPBSA-N 352.430 5.083 0 1 FKAF C[C@@]1(c2ccccc2C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602634 KMZFPVMCYXPNEN-QPPBQGQZSA-N 372.420 5.147 0 1 FKAF C[C@@H]1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587603307 LUPUKIZUTYXMGY-OECQAKIHSA-N 372.420 5.147 0 1 FKAF CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2ccc([C@H](C)CC)cc12 587642667 OFRVVAXQAYQIPC-CQSZACIVSA-N 372.509 5.261 0 1 FKAF Cc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587691720 DFAQPASKEJBLOQ-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@@]2(C)C3(C)C)N1 587817027 HHUDOZMGSPWPSJ-VWMXILOASA-N 366.318 5.164 0 1 FKAF CC/C=C(/c1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821415 UVXBXJVWXKPJJV-IXCJAITHSA-N 374.297 5.657 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C)cc(Br)c2[nH]1 587949981 HOMYJKBCOWFYMF-RBOXIYTFSA-N 365.315 5.680 0 1 FKAF CCOC(=O)c1ccc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2c1 587952084 XTDBLFQVDWUZTO-AWEZNQCLSA-N 360.413 5.033 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(Br)c(F)c2[nH]1 587952945 YDBFRETWSRQQIM-SUNKGSAMSA-N 369.278 5.511 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(Cc1ccccc1)C(F)(F)Cl 963108686 XXKOHLHDIIZRQD-HKUYNNGSSA-N 365.826 5.116 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccsc1Br 963225709 FVIDEWIISOARCZ-BLLLJJGKSA-N 350.325 5.257 0 1 FKAF CCN(C/C=C/c1ccc(C(F)(F)F)cc1)CC1=CO[C@H]2C=CC=C[C@H]12 1772581129 KEBGVFJLDWAFAY-KPDZFXRVSA-N 361.407 5.065 0 1 FKAF CC1(C)[C@H]2CC=C(COc3ccc4c5c(c(=O)oc4c3)CCCC5)[C@@H]1C2 1772584161 SPJGSLDQFWVYOR-YWZLYKJASA-N 350.458 5.043 0 1 FKAF O=C(c1ccccc1)N1C[C@@H](c2cccc3ccccc23)Oc2ccccc21 1857639794 QAQNIHQLRYWVPN-DEOSSOPVSA-N 365.432 5.620 0 1 FKAF CC(=O)OCC=C(C)C[C@@H](C)C[C@H](C)CCCCCCCCC(C)C 2356406514 YOKQQBWIWJYSNO-IRLDBZIGSA-N 352.603 7.325 0 1 FKAF O=C(NCc1cccc(Cl)c1)c1cccc2c(-c3cccnc3)coc12 61898610 IGXHHMFWTMMPDW-UHFFFAOYSA-N 362.816 5.078 0 3 FKAF CC1(C)CCC(C)(C)c2cc([C@@H]3COc4cc(C(=O)O)ccc4C3)ccc21 13815373 IHDJKLZRJCYNNI-SFHVURJKSA-N 364.485 5.453 0 1 FKAF C[C@@]12CCC=C[C@@H]1[C@@H](c1ccc3ccccc3c1)N(Cc1ccccc1)C2=O 13830425 DLLSCTDMHJGMPP-DGWZTRNLSA-N 367.492 5.896 0 1 FKAF CC(C)n1c2c(c3ccccc31)[C@@H]1CC[C@H](C2)N1CCCCc1ccccc1 13861327 DPCGTROJFNXOEE-QPPBQGQZSA-N 372.556 6.307 0 1 FKAF C[C@@H]1C[C@@H](C)CN(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)C1 14970839 RGSUWKJYBMJESY-HUUCEWRRSA-N 366.896 5.274 0 1 FKAF CC(C)(C)Oc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1 26641751 VNEQDSGOQDCCOK-UHFFFAOYSA-N 368.480 6.588 0 1 FKAF Cc1cc(-c2ccc(-c3ccc(C(=O)O)cc3)[nH]2)nc2c(C(C)C)cccc12 28227625 QYQPQCDVYXLSSA-UHFFFAOYSA-N 370.452 6.027 0 1 FKAF Cc1ccc(C(=O)c2cc(C)ccc2OC(=O)c2ccc(Cl)cc2)cc1 28713804 UPTXKSDWUKFVJF-UHFFFAOYSA-N 364.828 5.407 0 1 FKAF CCO[C@@H](c1cccc(Cl)c1)[C@@H](SC(C)(C)C)n1cnc(C)c1 45366956 FGZAOCWSFPMXJL-DLBZAZTESA-N 352.931 5.653 0 1 FKAF C[n+]1cccc(N(CCCCCC2CCCCC2)c2ccccc2Cl)c1 66156685 GUJAZHDCOJFPFI-UHFFFAOYSA-N 371.976 6.443 0 1 FKAF Oc1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1 73257621 UBDNYXGZBNSOPR-UHFFFAOYSA-N 362.432 6.270 0 1 FKAF CCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCC3CC3)ncnc21 82179697 RGPYXOFQOLULLS-UHFFFAOYSA-N 369.900 5.159 0 1 FKAF Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccc1)c1ccc2ccccc2c1 84671673 QOAYZHCBPQVSGD-SANMLTNESA-N 362.476 6.831 0 1 FKAF CCCCN(CCCC)C[C@@H](O)c1cc(C(C)(C)C)nc2ccc(C)cc12 169334956 AEFSNEMVBZLYCM-JOCHJYFZSA-N 370.581 5.776 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 586883720 DCQSFBHFVGNEGS-FZKQIMNGSA-N 362.782 5.607 0 1 FKAF CC[C@H](C)[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992168 YDKNMVJZTAQQBK-UONOGXRCSA-N 357.453 5.618 0 1 FKAF CCc1ccc(-c2nc(-c3nc4cc(Cl)c(F)cc4[nH]3)cs2)cc1 587015655 GMJZJRBMFOVGAP-UHFFFAOYSA-N 357.841 5.708 0 1 FKAF FC(F)(F)c1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1Cl 587036786 NDXSVJZRISGSLY-CYBMUJFWSA-N 374.840 5.675 0 1 FKAF CC(C)Oc1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587060360 CPVOXOVYVSRHQC-UHFFFAOYSA-N 353.809 5.326 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccnc2[nH]1 587072281 QGCBNQMBCVUTIG-VRCKCISPSA-N 358.272 5.631 0 1 FKAF COc1c(F)ccc(F)c1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587133437 XDEVZKLRRVOKEC-UHFFFAOYSA-N 362.685 5.189 0 1 FKAF Cc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1C 587136877 PDMZYOAOOSRQRG-UHFFFAOYSA-N 353.622 5.402 0 1 FKAF CC1(C)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354152 NDFQMSISITZDSR-SIKLNZKXSA-N 354.421 5.229 0 1 FKAF CCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587365360 JWNHHPLJJIXQOR-UHFFFAOYSA-N 359.469 6.698 0 1 FKAF CCCc1ccc(OC)c([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 587477878 KCSKBDCEFYVMFB-NRFANRHFSA-N 354.446 5.012 0 1 FKAF O=C1C[C@@H](c2ccc(N3CCCCC3)s2)Oc2c1ccc1c2CCCC1 587532318 PLKXUUVEWBHPHW-IBGZPJMESA-N 367.514 5.324 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccccc3O)cc2)Oc2c1ccc1c2CCCC1 587533599 RMKKFDWFDHUPLE-DEOSSOPVSA-N 370.448 5.645 0 1 FKAF COc1cccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)c1 587628472 LKMKZWVXXHAVGT-UHFFFAOYSA-N 371.717 5.219 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C)c(C)c3)c2c1 587641165 KTBAXRQBLYOWHQ-LBPRGKRZSA-N 373.418 6.548 0 1 FKAF Fc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1F 587784875 VKBURVYDUFXCNX-FLIBITNWSA-N 362.379 5.591 0 1 FKAF CC(C)=CC[C@@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816164 UYAMSTUNAYSCPK-DJJJIMSYSA-N 366.318 5.474 0 1 FKAF Cc1cc(C(F)(F)F)n(CCc2nc(-c3cccc(Cl)c3)cs2)n1 587920802 OMGJLRFFLWRPPV-UHFFFAOYSA-N 371.815 5.230 0 1 FKAF CC[C@]1(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)CC(=O)c2ccccc2C1 587960833 NTSIGGFKFDMTGU-XMMPIXPASA-N 360.501 5.628 0 1 FKAF C[C@]1(CCCCCCCCCCc2ccccc2)C[C@]2(C)OC(=O)C[C@H]2O1 621430927 PGZGTNDHESKDJB-NHTMILBNSA-N 372.549 5.993 0 1 FKAF CC[C@H](C)c1ccc(-n2cccc2[C@@H]2NCCc3ccc(F)c(C)c32)cc1 962087969 BXYWMKROIPFVEJ-FYSMJZIKSA-N 362.492 5.673 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(Cl)c3)cc(-c3ccccc3O)n2)c1 1772607757 HPNGXDQHZANEBH-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF O=C1Nc2ccc(-c3ccco3)cc2/C1=C/c1cc(Cl)c(O)c(Cl)c1 1857582285 FPCKDWQJQURRAG-MLPAPPSSSA-N 372.207 5.452 0 1 FKAF CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2ccc(C(C)(C)C)cc2)OC1=O 1857647378 LKUMSNIZHCXTOE-QNJILJPISA-N 366.545 6.981 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C[C@H]1CC3 2356392239 VJUBACISBRYKMB-DWMVWVPFSA-N 370.621 6.919 0 1 FKAF CC(C)=CCCC1=CC[C@]2(CC1)C(=O)O[C@@H]1C=C(C)CCC=C(C)CC[C@@H]12 2356563394 AJMWIYWHXKOBKT-JBRSBNLGSA-N 368.561 6.838 0 1 FKAF CC(C)(C)c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1 2382240672 UCNNLDFGSOZSQF-UHFFFAOYSA-N 370.403 5.092 0 1 FKAF O=C(NCc1ccccc1)c1ccc(-c2ccc(F)c(F)c2)c2ccoc12 61896222 ZULDHMHHKDMSCU-UHFFFAOYSA-N 363.363 5.308 0 3 FKAF COc1ccc(Nc2nccc3[nH]c(-c4cccc(F)c4)cc23)cc1OC 74386844 ALJGYNGWTNBZKL-UHFFFAOYSA-N 363.392 5.130 0 3 FKAF COc1c(O)c(C(C)=O)c(OCc2cccc3ccccc23)c2ccoc12 13682262 RMJVHDRIYREEHY-UHFFFAOYSA-N 362.381 5.082 0 1 FKAF CCCCC[C@H](O)c1cccc(OCc2cccc(C(F)(F)F)c2)c1 25987690 KOFXOCZOOZGDDT-IBGZPJMESA-N 352.396 5.898 0 1 FKAF O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccccc2)cc1 28529629 JDGSUZBWUUXJCN-UHFFFAOYSA-N 371.358 5.428 0 1 FKAF in-vivo Cc1c(Cl)cccc1Oc1cccn2c(C3CCCCCC3)nnc12 34808872 IRIKJKKNAULMJL-UHFFFAOYSA-N 355.869 5.921 0 1 FKAF CC[C@H](c1ccc(O)c(COC)c1)[C@@H](CC)c1ccc(O)c(COC)c1 40466730 HODIECUQIMNXPH-BGYRXZFFSA-N 358.478 5.078 0 1 FKAF COc1cc2nccc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC 45168382 QUTVVSIKCNRGEB-UHFFFAOYSA-N 372.424 5.788 0 1 FKAF c1ccc(-c2ccc(Oc3cc(NCC4CCCCC4)ncn3)cc2)cc1 82067764 LRMKMHWGWYPPQX-UHFFFAOYSA-N 359.473 5.928 0 1 FKAF C[C@]12CC[C@@H]3c4cc(-c5ccc(F)cc5)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 139841514 LEMVEIXRUOWQCD-YDNKQOOJSA-N 366.476 5.415 0 1 FKAF CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 142595216 XMKGJJDWZVKHBI-BZNIZROVSA-N 370.251 5.167 0 1 FKAF CCCCN(CCCC)C[C@@H](O)c1cnc2c(C(F)(F)F)cccc2c1 169338267 CPSHFGCAVAAYNO-GOSISDBHSA-N 368.443 5.189 0 1 FKAF O=C(O)C1(Sc2ccnc3ccc(-c4ccc(F)cc4)cc23)CCC1 220402804 ZITFZCYAOQULPB-UHFFFAOYSA-N 353.418 5.140 0 1 FKAF C=Cc1ccc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)cc1 586880704 GKEVAVHALFJTOL-UHFFFAOYSA-N 357.251 5.423 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)CC1 586881852 WLWLOWVNNAUWHC-MXVIHJGJSA-N 360.545 7.311 0 1 FKAF CC(C)c1cc(-c2nc3c(Br)ccnc3[nH]2)c(O)c(C(C)C)c1 586897114 XNZKHZQQOBCANU-UHFFFAOYSA-N 374.282 5.340 0 1 FKAF CNc1cc(Cl)ccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587066914 JGHAWZDIEXJBCH-UHFFFAOYSA-N 371.065 5.341 0 1 FKAF CCCc1c(-c2ccccn2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096845 LDISATJPVNEBQZ-UHFFFAOYSA-N 364.448 5.769 0 1 FKAF CCc1noc(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097622 RRYYUDIMVBNVAG-UHFFFAOYSA-N 354.409 5.280 0 1 FKAF O=C1c2ccccc2-c2c(Cc3c(F)cccc3Cl)cnc3cccc1c23 587104462 VMSITLHKPFAPAQ-UHFFFAOYSA-N 373.814 5.830 0 1 FKAF Cc1ccc2nc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cn2c1 587106890 OFIUMGDGRIALTJ-UHFFFAOYSA-N 361.404 5.069 0 1 FKAF O=C1c2ccccc2-c2cc([C@@]34C[C@@H]5C[C@H]3C[C@@H](C5)C4)nc3cccc1c23 587206272 BVTALCBPJPIUFZ-GDFTTXIYSA-N 351.449 5.524 0 1 FKAF CC(C)=CCC/C(C)=C\CC/C(C)=C/Cc1c(C)nc2cccc3c2c1CC3 587213331 IHYZLWRLFRHDTO-MSDCASSBSA-N 373.584 7.604 0 1 FKAF O=C(c1cc(Br)ccc1Cl)c1coc2ccc(Cl)cc12 587276436 OYBOIBAGRKHHNC-UHFFFAOYSA-N 370.029 5.733 0 1 FKAF C[C@@H]1CC(C)(C)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357898 WMDKFDBNNIVREA-PXROXKMBSA-N 354.421 5.085 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(O)c3)cc1)CC2=O 587487374 ZLYHHUGLUAPKMR-HSZRJFAPSA-N 374.436 5.424 0 1 FKAF O=C1C[C@@H](c2ccccc2-c2ccncc2)Oc2c1ccc1c2CCCC1 587513760 FIPVEUFFHADTSS-QHCPKHFHSA-N 355.437 5.334 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C)(C)[C@@H]1CC[C@@]2(C)C1 587818670 SEQOBEOBZDGNJR-LDWAOTCXSA-N 366.318 5.164 0 1 FKAF CC[C@H](C)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823396 PRUTWCKPYNAAFS-QRDCCXFBSA-N 368.334 5.554 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccccc3c2)N1 587824161 UWFHEZLPCFFRMN-ODXCJYRJSA-N 370.265 5.365 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc2ccccc2c1 587870621 NJHYGBIEVPPIDJ-UHFFFAOYSA-N 374.415 5.124 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4c(F)cnc(Cl)c4[nH]3)ccc2c1 587934257 GYEUDKNWUWCTDW-SNVBAGLBSA-N 355.800 5.064 0 1 FKAF FC(F)(F)c1cccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587949177 PVJIFPSQPNQCFU-UHFFFAOYSA-N 368.358 5.965 0 1 FKAF Cc1cc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2cc1F 587957891 ZPLDNWNEEHGELD-UHFFFAOYSA-N 362.489 5.929 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3ccc4c(c3[nH]2)CCCC4)cc1 587960360 ZXKXXOPRHFVJHQ-UHFFFAOYSA-N 352.481 6.008 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(C(F)(F)F)cc2)N1 962949276 LDUIVCMPEVKRJU-MGPUTAFESA-N 358.407 5.375 0 1 FKAF S=c1ssc2c3ssc(=S)c3n(Cc3ccccc3)c12 1660999 FJTJYWDXXQALAD-UHFFFAOYSA-N 369.608 6.548 0 1 FKAF C[C@](O)(CSc1ccc(Cl)cc1)c1cc2cc(Cl)ccc2[nH]1 34801499 QROGILTVPWKRAM-KRWDZBQOSA-N 352.286 5.475 0 1 FKAF O=C1CC[C@@H](N(Cc2ccc3ccccc3c2)C2CCCC2)c2ccccc21 40876864 CXEISEMDSGMVHN-RUZDIDTESA-N 369.508 6.302 0 1 FKAF Cc1c(Sc2ccc(Cl)cc2)c2ccc(Cl)cc2n1CC(=O)O 73196292 YSBNMIAQDHUQBL-UHFFFAOYSA-N 366.269 5.492 0 1 FKAF COc1ccc([C@H](C)n2cc(-c3ccc4oc5ccccc5c4c3)nn2)cc1 103237899 YCEJIKGLLGZDKD-HNNXBMFYSA-N 369.424 5.462 0 1 FKAF COc1ccc(-c2ccc(-c3csc(Nc4cccc(C)n4)n3)cc2)cn1 145288116 DXQRHJLUQCVTKN-UHFFFAOYSA-N 374.469 5.328 0 1 FKAF Cc1cc(-c2cccc3c(Nc4cccc(Cl)c4)c(N)sc23)ccn1 222827508 VIRMYZRDGLRJLT-UHFFFAOYSA-N 365.889 6.251 0 1 FKAF C[C@H]([C@H]1CC[C@H]2[C@H]3CC=C4C[C@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 255285190 YTNIUPZRMQLHNV-UILJXENUSA-N 372.641 5.446 0 1 FKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(Cl)cc4[nH]3)c2)cc1 587067719 MEGWJLGKGVEKNO-UHFFFAOYSA-N 369.251 5.696 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc12 587164105 WODMDUQMCPXEHR-UHFFFAOYSA-N 359.404 5.238 0 1 FKAF CC(C)c1c(-c2cccc(Br)c2)nc2cccc3c2c1CC3 587207635 HZYLGIWIXFRPKF-UHFFFAOYSA-N 352.275 5.886 0 1 FKAF Brc1ccc2oc(-c3cc4c5c(cccc5n3)CC4)cc2c1 587208038 KDYNFKYVZKFAEO-UHFFFAOYSA-N 350.215 5.509 0 1 FKAF Cc1cc2c(cc1-c1cc3c4c(cccc4n1)CC3)C(C)(C)C[C@H](C)C2(C)C 587212524 BSTZVVXCTJXUJB-KRWDZBQOSA-N 369.552 6.904 0 1 FKAF O=C(O)c1ccc(-c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)cc1 587216015 YIVWWCNFTDFGIK-UHFFFAOYSA-N 351.405 5.366 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2n[nH]cc2CC3)c1 587361943 BCKLYNAHIFKHMX-UHFFFAOYSA-N 367.408 5.145 0 1 FKAF CC[C@]1(Cc2ccc(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587376887 UZGAUJHYAXRBRC-IBGZPJMESA-N 364.272 5.241 0 1 FKAF C[C@@]1(c2cc3cc(F)ccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587510035 UIEMSPRFKBZXKQ-QFIPXVFZSA-N 350.389 5.331 0 1 FKAF CC(C)=CCC[C@H](C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603733 RFIGUWPEBLUDIK-LYLBAIIYSA-N 352.430 5.105 0 1 FKAF Cc1[nH]c2cc(F)ccc2c1C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 587632004 ABQNQWNBTYECPJ-NYYJTOMGSA-N 362.286 5.601 0 1 FKAF CC[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812895 LSBLLSXMSMJPEB-ORAYPTAESA-N 362.286 5.084 0 1 FKAF CC(C)C1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587818063 PGVBRQFMPRAMSZ-ZVLZOBCMSA-N 354.307 5.164 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 587933146 UMBGGPWMJWGSCJ-UHFFFAOYSA-N 354.453 5.784 0 1 FKAF COc1ccc(-c2cccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)cc1 587936711 YOMRHDJSBBHYBO-UHFFFAOYSA-N 353.784 5.093 0 1 FKAF CCc1ccc2[nH]c(C(C)(C)C)c([C@@H]3NCCc4ccc(F)c(C)c43)c2c1 962141116 BIOVMYKDQCQQNZ-JOCHJYFZSA-N 364.508 5.710 0 1 FKAF C[C@](O)(C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1NCCc2cccc(-c3ccccc3)c21 962667529 LRLSNPGGAANAOB-WLYDAUPHSA-N 361.529 5.118 0 1 FKAF CCc1ccc(-c2ccc([C@H]3N[C@@H](CC)Cc4c3[nH]c3ccccc43)o2)cc1 962946677 ACPHNEWDRZFNQZ-AVRWGWEMSA-N 370.496 6.004 0 1 FKAF CC[C@H](C)[C@H](O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCc1ccccc1 1772599477 FWGHIWBTCJDHCU-FPTDNZKUSA-N 365.473 5.039 0 1 FKAF CO[C@H](c1nc(SC(C)C)nc(O)c1C)c1c(Cl)cccc1Cl 1857615819 KXQUYESTBBIGAA-AWEZNQCLSA-N 373.305 5.034 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2[C@@H]3O)c1 1857629824 MTPITHWVIYYQME-DEOSSOPVSA-N 351.405 5.183 0 1 FKAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccccc3C(F)(F)F)nc2c1 1911578770 KOVYLSJJKWZNAY-RUZDIDTESA-N 369.279 5.083 0 1 FKAF CC(=O)O[C@@H]1CC[C@@H]2C(C(C)C)=CC[C@@]2(C)[C@@H]2C=C(C(=O)O)CCC2=C1C 2356307071 WVPBFHHEHAREER-YYTDSSBASA-N 372.505 5.058 0 1 FKAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC=C(C)[C@@H]2CCC(C)=CC(=O)O)C1(C)C 2356600362 JAOSZJFNMXPMLX-JZJXAQOMSA-N 362.510 5.138 0 1 FKAF CCC[C@H](O)CC[C@](C)(O)CCC=C(C)CCC1=C(C)CCCC1(C)C 2356716543 QFNAZHJHBGQQAF-XUZZJYLKSA-N 364.614 6.712 0 1 FKAF CCCc1nc2c(C)cc(Br)cn2c1Cc1ccc(C)cc1 72139929 PYJOVWSQUCOBMY-UHFFFAOYSA-N 357.295 5.257 0 3 FKAF CCn1cc(C(=O)Nc2ccc(Oc3cccnc3)cc2)c2ccccc21 199265840 XHKGXUSBIOCUHV-UHFFFAOYSA-N 357.413 5.101 0 3 FKAF CCCCc1ccc(N(CC)c2nc(C)cc(C)n2)c(Br)c1 13794604 RNYRYIVVVBXSRR-UHFFFAOYSA-N 362.315 5.357 0 1 FKAF CCCCNc1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C 13795081 YSRDKCMEEQUANM-UHFFFAOYSA-N 350.510 5.483 0 1 FKAF CCCCCc1cc(O)c2c(c1C(=O)OC)OC(C)(C)[C@@H]1CCC(C)=C[C@H]21 14722883 LKLZAPSGDVLPGH-DLBZAZTESA-N 372.505 5.522 0 1 FKAF biogenic Nc1sc2c(c1C(=O)c1ccc(C3CCCCC3)cc1)CCCCC2 27301757 FZLIJXGAHCXJMY-UHFFFAOYSA-N 353.531 5.878 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C([C@H](O)CC)C[C@@H]21 27628786 HSVJVWLJEGYGAC-GUDVDZBRSA-N 358.522 5.487 0 1 FKAF CCCO[C@]1(c2ccc(-c3ccccc3)cc2)CN(C)[C@@H]2CCCC[C@@H]2O1 27706663 IZIGKCAJJSJZKU-TZRRMPRUSA-N 365.517 5.206 0 1 FKAF CCCOC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1 28221606 ALLARHNKZGMVPC-UHFFFAOYSA-N 374.506 5.565 0 1 FKAF Cc1ccccc1Nc1nnc(COc2ccc(-c3ccccc3)cc2)s1 40895617 LMSUHWZDWDNXOU-UHFFFAOYSA-N 373.481 5.836 0 1 FKAF Nc1ncnc2c1sc1nc3c(c(-c4ccco4)c12)CCCCCCC3 49073006 WMISFEODCMGWDV-UHFFFAOYSA-N 364.474 5.131 0 1 FKAF CC/C=C/[C@@H](CC)C/C(=C/[C@@](O)(CC)C[C@@](O)(/C=C/C(=O)O)CC)CC 58536499 LSVMTGUPGAJFCN-YNVWABQLSA-N 366.542 5.018 0 1 FKAF CC[C@@H](C)c1ccc(-n2c(=S)oc3ccc(Cl)cc3c2=S)cc1 64539848 SXGPLVGLDRBALL-LLVKDONJSA-N 361.919 6.849 0 1 FKAF Cc1ccc(Cc2cc(O[C@@H]3CCCC[C@H]3C)c(C(C)C)c(=O)[nH]2)cc1 95587844 IEEKRCLQMYQEAW-YLJYHZDGSA-N 353.506 5.355 0 1 FKAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H](O2)[C@H]1CSCC1CCCCC1 101366312 NWFGCXFIIAQPKD-PPKYGLFJSA-N 366.567 5.295 0 1 FKAF CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1 153218941 FDBPAKHHKJZPKD-YULCGJSVSA-N 356.598 5.024 0 1 FKAF CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)O 169621965 FMLZWXPBUZXGNQ-PDBXOOCHSA-N 362.598 8.001 0 1 FKAF CCCCC1CCC(c2nc3cc(Br)cc(F)c3[nH]2)CC1 586893894 ZFQYDTIGKSUCBA-UHFFFAOYSA-N 353.279 5.929 0 1 FKAF Cc1c(Br)cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c1C 586898233 NEBOCOLAPNZGOS-UHFFFAOYSA-N 371.278 5.194 0 1 FKAF COc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586974152 BZRHDFLMFGRKHJ-UHFFFAOYSA-N 372.049 5.308 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1 586983324 YVDXSAHIVZASHB-UHFFFAOYSA-N 357.251 5.102 0 1 FKAF Cc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1F 586987384 FBSWTOPBOSEFJN-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF Oc1c(Br)ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587025931 PNLXCJBYZKETBF-UHFFFAOYSA-N 371.259 5.427 0 1 FKAF COc1cc(-c2nc3ccc(C)c(C)c3[nH]2)cc(Cl)c1OCC(C)C 587046601 XUGBTTLSYHNEPN-UHFFFAOYSA-N 358.869 5.544 0 1 FKAF Cc1nn(-c2cccc(-c3nc4ccc(F)c(C)c4[nH]3)c2)c(C)c1Cl 587065291 NJVLCPFDMQOBCG-UHFFFAOYSA-N 354.816 5.133 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccnc(O)c2[nH]1 587072637 SVEJJBDPSNPUIB-PQEBEJDBSA-N 374.271 5.336 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(S)cc4)nc13)-c1ccccc1C2=O 587102281 MXSRLWOKUNTLRF-UHFFFAOYSA-N 353.446 5.710 0 1 FKAF CCCc1ccc(OC)c([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 587477880 KCSKBDCEFYVMFB-OAQYLSRUSA-N 354.446 5.012 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccs3)s1)CC2=O 587492226 BLRPFUCBAXUHJK-MRXNPFEDSA-N 370.495 5.841 0 1 FKAF Cc1[nH]c2c(C)ccc(C)c2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521978 DJINXRXAIWRYLL-HXUWFJFHSA-N 359.469 5.678 0 1 FKAF CC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCCCC1 587600924 DBXFNGOSJUSBJJ-NQIIRXRSSA-N 352.430 5.083 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCC1CCCCC1 587601715 GQSOTZWVWPQJEC-ICSRJNTNSA-N 352.430 5.083 0 1 FKAF Cc1ccc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)cc1Cl 587628687 RXEQBRCLXQKCJL-UHFFFAOYSA-N 351.208 5.483 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(Cl)c2)N1 587736385 ZPJNCIGAFISUFB-ZKANADHPSA-N 372.640 5.004 0 1 FKAF CCCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587817390 BQRLXVPDKJNYQO-CWTRNNRKSA-N 362.286 5.164 0 1 FKAF CCc1cccc(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587817857 DZSJIYAGMBQWHJ-CWTRNNRKSA-N 362.286 5.083 0 1 FKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc([C@H]3CCCO3)n2)cc1 587923515 URTXSEIDFNNNGG-GOSISDBHSA-N 364.445 5.949 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(Cc1ccccc1)C(F)(F)Cl 963108688 XXKOHLHDIIZRQD-IEBWSBKVSA-N 365.826 5.116 0 1 FKAF CCCc1cc2ccccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1 1772575319 SEUXOSZIQWNFBW-UHFFFAOYSA-N 368.480 5.408 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(Cl)c3)cc(-c3ccc(O)cc3)n2)cc1 1772604408 XVJZPWXOSHQLRT-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF COc1ccc2cc(-c3cn([C@@H]4CCCCc5ccccc54)nn3)ccc2c1 1857534216 QJYNOGXWWHAEJH-XMMPIXPASA-N 369.468 5.423 0 1 FKAF O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2occc2c1 1911581800 GEKJNVOBQMTGRN-UHFFFAOYSA-N 363.800 6.195 0 1 FKAF C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C=C(OC5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C 3875442 ZUBDXGHKAAMAAA-RMVFICBOSA-N 370.577 6.153 0 1 FKAF biogenic CC(C)CCC[C@H](C)[C@H]1CC[C@H]2N=C(NCc3ccccc3)CCC[C@@]21C 5962608 VWXYSYATPFJBIX-LVVCFHABSA-N 368.609 6.606 0 1 FKAF COCc1cc(O)c2c(c1O)[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@H]1C2 13431944 APGZBIKZXBYIEJ-DPZOUVDISA-N 358.522 5.301 0 1 FKAF biogenic c1ccc(-c2nc(SCCCn3cccn3)[nH]c2-c2ccccc2)cc1 27215858 RWQUERWHLQZVJF-UHFFFAOYSA-N 360.486 5.123 0 1 FKAF NC[C@@H](CCCCSc1ccc2ccccc2c1)c1ccc(F)cc1 27759450 MRNVQXQNKMJFNW-HXUWFJFHSA-N 353.506 5.984 0 1 FKAF Cc1sc(N)c(C(=O)c2ccc(Br)c3ccccc23)c1C 27896295 RNKXGXIFMPSTRN-UHFFFAOYSA-N 360.276 5.094 0 1 FKAF C[C@H](c1ccccc1)N1CCC2(CC1)O[C@@H](CCCF)c1ccccc12 45283515 ZAXUCBNRIKRZHS-GCJKJVERSA-N 353.481 5.560 0 1 FKAF OCCc1c(Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl 66097661 FOPTYXHKRBXEBI-UHFFFAOYSA-N 352.648 5.397 0 1 FKAF Fc1ccc(Cn2c3ccccc3c3cc[n+](Cc4ccccc4)cc32)cc1 96922764 KUEWEEUDGGMAPS-UHFFFAOYSA-N 367.447 5.318 0 1 FKAF CCCC[C@]12Cc3ccccc3[C@@H](O1)c1c(cc(-c3ccccc3)oc1=O)O2 102811193 JYTKYEDYGNDYLU-ISKFKSNPSA-N 374.436 5.248 0 1 FKAF Cc1cc(-c2nc3c(F)cc(F)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880309 XCAKPJVBANOYEI-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF Cc1ccc(CSCCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 586970172 HPEHISCWJSBLJT-UHFFFAOYSA-N 352.290 5.049 0 1 FKAF Fc1cc(Br)c2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 587024172 XOQCCBBYSGZGSV-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587070878 XZMQJOKDZHLDIC-JTQLQIEISA-N 366.770 5.612 0 1 FKAF Cc1cccc([C@@H]2Cc3nc4c(C)ccc5c4c(c32)-c2ccccc2C5=O)c1 587100433 JYZVNITVAKMFFP-FQEVSTJZSA-N 361.444 5.751 0 1 FKAF Cc1cc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(O)c1 587207267 PNAAHDQEHYDTIY-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(F)cc3)s1)O2 587384032 JFFQZABFKXEMOM-KRWDZBQOSA-N 353.418 5.151 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(c1cccc(Oc4ccccc4)c1)[C@@H](C2)C3=O 587443429 QJSIAGSKVNLISG-GBXCKJPGSA-N 372.420 5.150 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1SC(C)(C)C)[C@@H](C2)C3=O 587450788 UVVRSVLZEMLKRG-AOMKIAJQSA-N 368.498 5.249 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1CCc1ccccc1)CC2=O 587486000 WOEDXBKRSQTFGX-HOYKHHGWSA-N 364.485 5.482 0 1 FKAF O=C1C[C@@H](c2cc(F)c(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587501326 BKFRUEYJZPVCFF-SFHVURJKSA-N 365.231 5.718 0 1 FKAF COc1cccc(Cl)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587507408 QEVDDIBQOQJKQU-OAQYLSRUSA-N 356.849 5.108 0 1 FKAF Cn1c2c(c3ccccc31)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587515340 KSMZDAXXYFBIHX-VWLOTQADSA-N 371.480 5.254 0 1 FKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1SC 587531624 IAYRMCASVPOMTA-LJQANCHMSA-N 354.471 5.002 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 587564951 RDOVMFOOGFPHEC-UHFFFAOYSA-N 364.276 5.531 0 1 FKAF Cc1cccc(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587696356 TXFQYSLILAGMJR-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(Cl)c2)N1 587720153 RJULBNHCZJJCLM-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF C/C(=C/c1ccccc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816367 XDWMCUXTHPSJKC-FPLNGPHFSA-N 374.297 5.441 0 1 FKAF Fc1ccc2c(c1)-c1cc(n(-c3nc(Cl)c(Cl)cc3Cl)n1)O2 587874053 PFMCOWMUVAVNOT-UHFFFAOYSA-N 356.571 5.139 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cccn1-c1ccc(F)cc1F 963224935 FAVVCZQCDZJQCP-WAIKUNEKSA-N 366.455 5.502 0 1 FKAF O=C(O)CCNCc1cc2cc(-c3ccc4ccccc4c3)ccc2s1 1772581327 CYBKDJDKNIZVAE-UHFFFAOYSA-N 361.466 5.286 0 1 FKAF COc1ccc(-c2csc(N3COc4ccc5ccccc5c4C3)n2)cc1 1857764570 KIRWRIQNZGIJKR-UHFFFAOYSA-N 374.465 5.328 0 1 FKAF CC(C)=CCCC(C)=CCC[C@@]1(C)C=Cc2c(O)cc3c(c2O1)CNC3=O 2356366077 ZBRAKDJZVQZCLV-QHCPKHFHSA-N 367.489 5.273 0 1 FKAF CCC=CC[C@@H](O)CCC=CCCCCCCCc1cc(O)cc(O)c1 2356420301 VWQPNCPIVYGVMV-OAQYLSRUSA-N 360.538 6.035 0 1 FKAF CC(C)CNC(=O)C=CCCCCCCC=Cc1ccc2c(c1)OCO2 2356422574 DOGZABSTLUIXJO-UHFFFAOYSA-N 357.494 5.098 0 1 FKAF CC1=C2C[C@]3(C)CC[C@H](C(C)C)[C@@H]3CC2=C(CO)C2=CC[C@@H](C)[C@@H]2CC1 2356750888 LTSIYRVKEJCFIW-FQRNCAIDSA-N 354.578 6.450 0 1 FKAF CSc1ccc(CN2CC[C@@](C)(Oc3ccc4ccccc4c3)C2)cc1 61903058 QDLNCYSKQLMYBJ-HSZRJFAPSA-N 363.526 5.605 0 3 FKAF Cc1ccc(Cc2c(C(C)(C)C)nc3ccc(Br)cn23)cc1 95570467 CIQPBRMZVUVLSJ-UHFFFAOYSA-N 357.295 5.294 0 3 FKAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCCC 4213792 GGIMTSBTXJOXKT-FCHUYYIVSA-N 372.553 5.740 0 1 FKAF c1cc(-c2ccc(-c3ccc(-c4ccc(-c5ccncc5)o4)cc3)o2)ccn1 12947002 JEUTWEAYQYYYBF-UHFFFAOYSA-N 364.404 6.331 0 1 FKAF CC(C)c1ccc(O[C@H](Cc2ccc(Cl)cc2Cl)C(=O)O)cc1 13604725 LNYDFVIUVQVRTE-QGZVFWFLSA-N 353.245 5.192 0 1 FKAF N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1Cl 13864745 JBNZKLCCRJJSKQ-UHFFFAOYSA-N 361.832 5.145 0 1 FKAF CCN(C)[C@H]1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)C1 19368499 HLPPSQPFFGNHHE-PKOBYXMFSA-N 372.965 5.114 0 1 FKAF CCCCCN1CCC2(CC1)c1cc(O)ccc1[C@@](C)(CC)O[C@H]2CC 27751797 QGFMUXAMSWETGC-FCHUYYIVSA-N 359.554 5.350 0 1 FKAF CC/C=C(\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)n1ccnc1 28764429 ABILNPRIFQLNTF-QBROUFQSSA-N 373.283 6.068 0 1 FKAF C/C=C(\c1ccccc1OCc1ccc(Cl)c(Cl)c1)n1ccnc1 28766284 RDBSEWJOKKJDSV-LPRJTOQXSA-N 359.256 5.678 0 1 FKAF CCO[C@@H](c1ccc(C(F)(F)F)cc1)[C@H](OC(C)(C)C)n1cnc(C)c1 45355884 OZBDUANXCWNNPS-IRXDYDNUSA-N 370.415 5.302 0 1 FKAF CCc1cnc(-c2cnc(NC3CCCCC3)nc2-c2ccccc2)s1 82162522 HCNQHDWZDZAPLM-UHFFFAOYSA-N 364.518 5.574 0 1 FKAF CC[C@H](C)Nc1ncc(-c2nc(C)c(C)s2)c(-c2cccc(C)c2)n1 82173712 CKTKRPGEONFUCU-ZDUSSCGKSA-N 352.507 5.403 0 1 FKAF CCCC[C@H](C)[C@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(C)[C@H](O)C3)CCC[C@@]21C 96142492 MGADROAPTBMHLU-UGHLQCFASA-N 374.609 6.034 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C=CCC[C@]34C)[C@@H]1CC/C2=C\c1ccccn1 118921545 YKQXLFBKNKCSJM-UYWHAVJTSA-N 363.545 5.789 0 1 FKAF CCSCCCCCCCCCCCOc1ccc(C(=O)O)cc1 169344818 VYMSKQZNMBJPJT-UHFFFAOYSA-N 352.540 6.028 0 1 FKAF Cc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 208067594 VDNCBZCZOBNUHZ-UHFFFAOYSA-N 368.484 5.220 0 1 FKAF C/C(=C/CC/C(C)=C/Cc1c[nH]c2ccccc12)CC[C@H](O)C(C)(C)O 238786618 UETBQCBTOMNFHW-PFFJYRIOSA-N 355.522 5.295 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 255207649 DTGDZMYNKLTSKC-HVTJWUSDSA-N 370.665 8.418 0 1 FKAF Cc1ccc(-c2cnc3snc(NC(=O)C4CCCCC4)c3c2)cc1C 299819708 DYYGVUUXXQUDMV-UHFFFAOYSA-N 365.502 5.494 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4ncc(F)cc4[nH]3)cc2)CC1 586879221 FQRVHESFHFWDIB-WKILWMFISA-N 351.469 6.228 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@H]4C1CCCC1)-c1ccccc1C2=O 587100701 OPYRWODGHSXBIB-INIZCTEOSA-N 353.465 5.975 0 1 FKAF Cc1c(-c2ccc(O)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101343 MMSXDKQYMQWFTP-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF Cc1cc(Cl)cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 587114913 ZIWQNBODBJUUAR-LLVKDONJSA-N 352.787 5.890 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(C)c(F)cc3[nH]2)c1 587158374 DISNZKHCNGXBPG-UHFFFAOYSA-N 364.395 5.416 0 1 FKAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587232792 BDIFAOVWFFZXBB-DZGCQCFKSA-N 357.498 5.021 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3cc4ccccc4cc3NC(=O)C(C)C)nc12 587247863 VNZWISWCQWDERS-UHFFFAOYSA-N 357.457 5.594 0 1 FKAF CC(C)CCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358947 ZCUGHKVEVYCPPK-IFMALSPDSA-N 356.437 5.475 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2[C@H](C3)C2(C)C)c1 587367876 ZJXHWGCPVTWMTG-PXNSSMCTSA-N 355.437 5.952 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sccc1Oc1ccccc1)O2 587410865 QQSNZJBPCBBWRV-GOSISDBHSA-N 351.427 5.138 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(Cl)c4)o1)[C@@H](C2)C3=O 587420073 OOODHRGDBUITBQ-YCRPNKLZSA-N 366.800 5.097 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)cc(C(C)(C)C)cc1C)[C@@H](C2)C3=O 587444393 DHONRYZXAUQOJW-MHECFPHRSA-N 364.485 5.272 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)cc(C(F)(F)F)c1)CC2=O 587463854 CVYJQJOKPJSSES-GOSISDBHSA-N 364.363 5.378 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1cccc(Cl)c1F)(C1CC1)CC2=O 587465175 BRPDGZUWPQVVAC-NRFANRHFSA-N 374.839 5.408 0 1 FKAF C[C@H]1CCCCCCCCCCCc2cc3c(O)nc(O)nc3nc2C1 587562292 VGPXNEKADIKKDC-HNNXBMFYSA-N 357.498 5.072 0 1 FKAF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587695442 NRCDVXBPDXUSPF-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC2CCCCC2)N1 587813933 QTRYUQQVXPLWBY-DJJJIMSYSA-N 368.334 5.698 0 1 FKAF CCCCC/C=C/[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814326 HBBCEEDPNDYNEB-SDIMBJMBSA-N 354.307 5.474 0 1 FKAF CC[C@@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814623 UZZPRIVUWADWHV-YJYMSZOUSA-N 362.286 5.084 0 1 FKAF CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=C(C)C)CC1 587816779 DBPUQUIRKXRXCX-ORAYPTAESA-N 364.302 5.394 0 1 FKAF CC(C)C[C@@H]1CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587817317 JYQYEVMEJSQKBZ-VBHSOAQHSA-N 354.307 5.164 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC2(C)C)N1 587822784 MHHMPVCCALUMRH-ZMZPIMSZSA-N 354.307 5.164 0 1 FKAF Oc1ccccc1-c1cc(-c2cccc(Cl)c2)nc2c1Cc1ccccc1-2 653738918 RQTQULYNLFHXGZ-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF CC(C)(C)[C@@H]1CCC[C@]2(CC1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962728357 DWRGJTVACUXVHN-WRWLIDTKSA-N 367.455 5.154 0 1 FKAF CCCC[C@]1(c2ccc(Cl)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963119865 ZVEIRBFSOBYUFZ-UGKGYDQZSA-N 357.900 5.933 0 1 FKAF CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c2[nH]c2c(O)cc(C=O)cc23)O1 2356577758 PMWYFOJRXNXUKS-HSZRJFAPSA-N 361.441 5.750 0 1 FKAF Cc1ccc([C@]2(C)CCC(=CBr)[C@@H]2C)cc1Br 2356802059 QZOZKGBLDKKGGO-XHDPSFHLSA-N 358.117 5.724 0 1 FKAF CCCC[C@@H]1C[C@H](CC)OC(=O)[C@H]1CCCOC(=O)c1ccccc1C 2356851209 QFDPSZWFISIFKH-HBFSDRIKSA-N 360.494 5.080 0 1 FKAF C[C@](O)(c1ccc(F)c(F)c1)c1nc(-c2cc3ccccc3o2)cs1 61904986 DHXJTCOUWHJDHF-IBGZPJMESA-N 357.381 5.090 0 3 FKAF Cc1cccc(-c2nc3ccccc3c(=O)n2Cc2ccccc2Cl)c1 4117924 OGROJLMMAFEUDH-UHFFFAOYSA-N 360.844 5.074 0 1 FKAF Cc1cc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)ccc1F 13606763 LSJFPFPCUYVELQ-MRXNPFEDSA-N 365.448 5.138 0 1 FKAF Cc1c[nH]c([C@H](O)c2cccc(OCc3ccc(-c4ccccc4)cc3)c2)n1 13822753 DLYPATCTXTWMMA-HSZRJFAPSA-N 370.452 5.046 0 1 FKAF CC1(C)C[C@H](NC(=O)Nc2cccc(Cl)c2)c2cc(Cl)ccc2O1 35846613 YTCPAIDEHJAZKD-HNNXBMFYSA-N 365.260 5.417 0 1 FKAF Cc1ccsc1-c1cc(-c2ccoc2)cc(-c2ccc(Cl)cc2)n1 45390804 ROMPOASRCLOQKF-UHFFFAOYSA-N 351.858 6.699 0 1 FKAF O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)C1CCCCC1 59681302 RQJXIMZFINSTGS-UHFFFAOYSA-N 354.837 5.667 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OC3CCCCC3)cc2)n1 72185972 IMMYLRPHWXMRKU-GOSISDBHSA-N 370.537 6.112 0 1 FKAF C[C@]1(CCc2ccccc2)C=Cc2cc(NCc3ccccc3F)ccc2O1 72315276 FOHRWJRCGKNFPV-VWLOTQADSA-N 373.471 6.235 0 1 FKAF in-vivo C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccsc2)nn1 84759236 HVNLNIUOHMSIGD-ZDUSSCGKSA-N 361.495 5.984 0 1 FKAF CCCCCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O 253638102 MHABHCAJOQWEKI-BPQIPLTHSA-N 374.546 5.618 0 1 FKAF Cc1cc(Br)cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586883266 AJLHQXAEBXKTIS-DNVCBOLYSA-N 353.263 5.005 0 1 FKAF Clc1cc(Br)c2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586884372 PELASJDZMMMBNE-WOLPVMLTSA-N 365.702 5.447 0 1 FKAF Nc1ccnc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc12 587051177 PGKSCYLBSDPVQE-UHFFFAOYSA-N 370.843 5.681 0 1 FKAF Fc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c(F)c1F 587062689 IWLGKWMPYAZIER-UHFFFAOYSA-N 372.777 5.891 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(Cl)c(F)cc2[nH]1 587066893 UFBBNGZAPZGBCQ-UHFFFAOYSA-N 353.224 5.329 0 1 FKAF Cc1cccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c12 587139030 ZYYDURMJVRZNGI-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF CCC[C@@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587367457 RAUNSSUEMSVNLV-MRXNPFEDSA-N 371.480 6.877 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(F)cc3F)cc1)O2 587386211 ULSUUQFIFAKGAB-OAQYLSRUSA-N 365.379 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)C[C@@H](c2ccccc2)C1 587484457 SEOVEIKNFVAMST-NVTAWBTOSA-N 364.485 5.653 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(CC(C)C)c1)CC2=O 587488152 ICXICHNLURIUFK-HSZRJFAPSA-N 352.474 5.424 0 1 FKAF C[C@@H]1Cc2cc(Cl)ccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587497925 CFHQKZWFMBEGKU-MCMMXHMISA-N 352.861 5.272 0 1 FKAF Cc1cccnc1[C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587518258 DLDAMJXBNGTCCJ-UUOWRZLLSA-N 361.485 5.331 0 1 FKAF CCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCC 587526400 SYLXNRDKMVNKLE-OAQYLSRUSA-N 366.457 5.069 0 1 FKAF CC[C@@]1(c2cc(C)ccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603964 SNQXZGHFCIXQBE-URXFXBBRSA-N 374.436 5.276 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccccc3OC)c2c1 587641005 HZMRAPKPFBNNEQ-LBPRGKRZSA-N 357.400 5.859 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2F)N1 587713195 BSXMPRLSCZUAOB-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF CC[C@@]1(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)CC(=O)c2ccccc2C1 587959585 HGELZHLOTCMHFF-QHCPKHFHSA-N 361.489 5.023 0 1 FKAF O=C(O)[C@H]1CNCC[C@@H]1CCCC/C=C/c1ccccc1-c1ccccc1 653739049 NFKWYEPWXOKOAJ-IYYRTMFSSA-N 363.501 5.238 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(Cl)c3)nc3c2Cc2ccccc2-3)c1 653739786 UEIUGSJADADCFC-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF COc1ccc2c(c1)N=C(C(C)C)N(Cc1ccccc1)[C@H]2c1ccccc1 2382228069 VEWBBGPRDUWGJT-DEOSSOPVSA-N 370.496 5.986 0 1 FKAF Fc1ccc(-c2nc(=S)c3c(n2Cc2ccccc2)CCCC3)cc1 5774123 BOCVVSFGTLBHQQ-UHFFFAOYSA-N 350.462 5.346 0 1 FKAF CCC[C@H](Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OCC 13886502 PTLDTEKRPFLEPH-KRWDZBQOSA-N 366.567 5.811 0 1 FKAF CCCCC(=O)c1ccc(O)c(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1 26171624 FYOVTDXQEKDZEP-UHFFFAOYSA-N 362.351 5.327 0 1 FKAF CCc1ncnc(N[C@H](CC)c2ccc(-c3ccccc3)cc2)c1Cl 28887534 NRXFJMCDXQIDBI-GOSISDBHSA-N 351.881 5.923 0 1 FKAF Clc1ccc([C@]23CCNC[C@@]2(Cn2ccc4ccccc42)C3)cc1Cl 72113035 AJRLLMMPWPRYOM-NHCUHLMSSA-N 371.311 5.270 0 1 FKAF CCN(CC)CCC[C@H](C)N[C@H](C)c1cc2c(cc1OC)OC(C)(C)C=C2 96932089 FGINLUYCGMNEEW-ZWKOTPCHSA-N 374.569 5.041 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2cccs2)C[C@@H](c2ccco2)C1 103904967 LDZAMZUVOCMEHH-LRTDBIEQSA-N 362.454 5.970 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3ccn(C)c3c2)n1 205340307 FGALDJWMBXHLAZ-OAQYLSRUSA-N 368.484 5.433 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(F)c(F)c3[nH]2)c1 586878588 KKAGXGAGOSJZBY-UHFFFAOYSA-N 362.379 5.356 0 1 FKAF Cc1nccc2[nH]c([C@H](Cc3cccc(Br)c3)CC(C)C)nc12 586982244 IYVOECGYPNVSJW-HNNXBMFYSA-N 372.310 5.401 0 1 FKAF Cc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1C 587039902 GNNUGVYNDFZJLA-UHFFFAOYSA-N 371.509 6.025 0 1 FKAF FC(F)(F)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587050916 SEISVHVBMFJETF-UHFFFAOYSA-N 361.754 5.693 0 1 FKAF CCc1cc(OCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1Cl 587052692 IJKXIOTWHAIEPJ-UHFFFAOYSA-N 372.749 5.516 0 1 FKAF Cc1c(F)ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587065283 XIBVEPZHGCOCIP-UHFFFAOYSA-N 356.784 5.503 0 1 FKAF COc1cc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2cc1OC 587083188 JPNSHLYKLZQQKR-UHFFFAOYSA-N 374.227 5.102 0 1 FKAF CCCCC/C=C\Cc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587100903 PVTNDEQOBZNDLN-FPLPWBNLSA-N 355.481 6.434 0 1 FKAF Cc1cc(Cc2cnc3cccc4c3c2-c2ccccc2C4=O)cc(C)n1 587107224 PQBXEDNUTRCRFW-UHFFFAOYSA-N 350.421 5.049 0 1 FKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(Cl)c(F)cc2[nH]1 587164234 YPEWHUPZIDGHGS-UHFFFAOYSA-N 368.770 5.393 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(Cl)ccc3[nH]1)CC2=O 587460766 HWHKFTXZSPDWDT-IBGZPJMESA-N 355.821 5.186 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC1CC1)(c1ccc(Cl)cc1)CC2=O 587462663 PSEVBQQXKLGPLC-QFIPXVFZSA-N 370.876 5.659 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1c(F)cc(F)cc1F)CC2=O 587465736 JVBMPCLULIFLNK-HXUWFJFHSA-N 364.363 5.033 0 1 FKAF CCC[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587521156 AQVLDBUVBHZUGG-DEOSSOPVSA-N 359.469 5.708 0 1 FKAF O=C1C[C@@](Cc2ccccc2)(C2CCCCC2)Oc2c1ccc1c2CCCC1 587524814 NEPVVAPGQOKMEJ-SANMLTNESA-N 374.524 6.092 0 1 FKAF CC(C)(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587529703 CMELXNWYRVXMLF-OAQYLSRUSA-N 350.458 5.275 0 1 FKAF C[C@@]1(C23CCC(CC2)CC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603022 MKHOZVVMPPJZTG-UIKWYUIYSA-N 364.441 5.083 0 1 FKAF O=C(O)c1ccccc1-c1[nH]c2cc(F)ccc2c1-c1ccc(Cl)cc1 587632936 OJGNVZZMTKJTNM-UHFFFAOYSA-N 365.791 5.993 0 1 FKAF CCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc([C@H](C)CC)cc12 587642672 PDESFYHIHUVAHY-CQSZACIVSA-N 359.435 7.320 0 1 FKAF CC(=O)c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587784170 OCCXFNICPDWZSP-NTEUORMPSA-N 368.436 5.515 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC2CC2)(c2ccccc2)N1 587816203 VEYHJTRGSIMRCK-RBZFPXEDSA-N 374.297 5.166 0 1 FKAF C[C@]1(c2cnn(C3CCCC3)c2)NCCc2cc(-c3ccccc3)ccc21 962670550 RTUGCPRONXPZDR-XMMPIXPASA-N 357.501 5.074 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cncc(-c3ccccc3)c2)N1 962940599 DAGDTTIXHAUEKB-WMZHIEFXSA-N 353.469 5.244 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccc1)[C@@H]1C[C@@H]2C=C[C@H]1C2 963230439 PKWIVAZHLOJUCT-PBJOXRGESA-N 357.541 5.799 0 1 FKAF Oc1ccc2c(c1)[C@H](c1ccc(-c3ccc(F)c(Cl)c3)cc1)NCC2 963350336 AXJGLFRKWYCHOR-NRFANRHFSA-N 353.824 5.087 0 1 FKAF O=C(Cc1ccc(Oc2ccccc2)cc1)NCCc1ccc(Cl)cc1 1857561515 GQSMAKBFZOQFNG-UHFFFAOYSA-N 365.860 5.034 0 1 FKAF COc1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1 14979829 PIVGELBUZXOJRT-UHFFFAOYSA-N 364.445 5.121 0 1 FKAF Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2cnccc2c1C(=O)O 29328594 PVXOIUSRSYFESI-UHFFFAOYSA-N 358.372 5.110 0 1 FKAF Clc1ccc(C[C@@H](Cn2ccnc2)c2c(Cl)cccc2Cl)cc1 33493868 QNKIOFAUJQWXMI-AWEZNQCLSA-N 365.691 5.870 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)c1sccc1-2 33827341 BQUDFNSJTOYURU-GJZGRUSLSA-N 358.547 7.068 0 1 FKAF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 34327009 WPRGTCVOBXQUHO-RTBURBONSA-N 356.506 5.956 0 1 FKAF CCCOc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)O)n1 35859651 JRJJZRYLVLIAAM-UHFFFAOYSA-N 367.832 5.556 0 1 FKAF O=C(c1cc(Cl)c2n(-c3ccccc3)nc3ccccc3c1-2)C(F)(F)F 68583829 YAQJWJSKYWZETQ-UHFFFAOYSA-N 374.749 5.529 0 1 FKAF biogenic CCc1cccc(C2CC3(CCN(C(=O)Nc4onc(C)c4C)CC3)C2)c1 73156999 KQYRMVXCZDNMRW-UHFFFAOYSA-N 367.493 5.046 0 1 FKAF CCOc1ccccc1CNc1cc(-c2ccc(C(F)(F)F)cc2)ncn1 82162294 BBEQCYOZZMEFDD-UHFFFAOYSA-N 373.378 5.173 0 1 FKAF N[C@@H]1C[C@@H]1c1ccc(OCC2CCCCC2)cc1OCC1CCCCC1 87613248 SWSWEUYPXYBKBC-FGZHOGPDSA-N 357.538 5.419 0 1 FKAF c1ccc(OCc2nnc(SC3CCCC3)n2C2CCCCC2)cc1 95594792 DAXKOKRSDKDBCL-UHFFFAOYSA-N 357.523 5.397 0 1 FKAF Clc1cccc(OC[C@@H]2[C@@H](c3cccs3)C[C@H]3CC[C@H]2N3)c1Cl 100658922 QZQZBTJZISDJMB-QVHKTLOISA-N 368.329 5.358 0 1 FKAF CC[C@H]1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 101680365 AFKOBULTASCVMS-SFHLNBCPSA-N 368.565 5.206 0 1 FKAF CC(C)=CCOc1ccc2oc3ccccc3c(=O)c2c1OCC=C(C)C 140245789 WXFVGOVGNTZUKW-UHFFFAOYSA-N 364.441 5.636 0 1 FKAF C[C@@H]1[C@@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cccnc5)=CC[C@H]4[C@@H]3CC[C@H]12 141054490 JSOBPDOKYJKCFC-FABXARKDSA-N 365.561 5.725 0 1 FKAF CC1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 224032922 XWSCPBSPBPBPSU-UHFFFAOYSA-N 372.965 6.065 0 1 FKAF CC(C)/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 255200137 BKWBRNDZAJHCMT-LNSGLWQUSA-N 370.621 6.775 0 1 FKAF CC(C)(C)c1cccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 586901234 RJOBBAUEUFPHGS-UHFFFAOYSA-N 374.440 5.512 0 1 FKAF Cc1nc(COc2cccc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)cs1 587020025 CGYIPLNXKBLYOO-UHFFFAOYSA-N 373.840 5.366 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4cc(C)nc(C)c4[nH]3)cc2)n1 587021539 NILHFNIFUKZTTP-UHFFFAOYSA-N 366.515 5.299 0 1 FKAF OCc1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1 587048101 QOHOZZGNTDJKJT-UHFFFAOYSA-N 369.251 5.696 0 1 FKAF CSc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064692 MWYBRHGQKBHYSD-UHFFFAOYSA-N 370.861 5.777 0 1 FKAF Cc1cc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c(C)n1 587065117 UEUGABZHLAVXSM-UHFFFAOYSA-N 353.809 5.067 0 1 FKAF Oc1cccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587073562 LCYKJIBOKSTZSX-SDXDJHTJSA-N 374.871 6.095 0 1 FKAF Fc1cc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2cc1C(F)(F)F 587081457 WXHHFSTZXZSCAN-AWEZNQCLSA-N 356.706 5.050 0 1 FKAF Cc1c(Cl)ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587124211 JMLGKDXUUZDSRW-RUDMXATFSA-N 368.811 6.307 0 1 FKAF CCOc1cc(/C=C/c2nc3c(C)ccc(C)c3[nH]2)ccc1OC(F)F 587130462 MSAROXJTSUEBFE-CSKARUKUSA-N 358.388 5.350 0 1 FKAF Cc1c(Br)ccc2nc(-c3ccc4ccccc4c3N)[nH]c12 587253673 GKVGUHMCNSWLQI-UHFFFAOYSA-N 352.235 5.036 0 1 FKAF Cc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587354141 NAGCMQDODZPHDX-GGAORHGYSA-N 362.400 5.114 0 1 FKAF COc1ccc(-c2nc(C)c(-c3cc4c5c(cccc5n3)CC4)s2)cc1 587358122 BCDHVMWJVNVOLS-UHFFFAOYSA-N 358.466 5.441 0 1 FKAF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2CC2)[C@@H]1c1ccc(F)cc1 587358396 XSTCMXKMBLXHBG-VWNXMTODSA-N 374.411 5.196 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1)(CC(C)C)CC2=O 587479273 CVAFASORVGIBKQ-DEOSSOPVSA-N 366.501 5.728 0 1 FKAF CCO[C@@H](C)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521715 JIPDRINDQBSWQO-UPCLLVRISA-N 364.485 5.544 0 1 FKAF CC1(C)CCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2O1 587530493 CNKZCMBWMMVYAQ-QFIPXVFZSA-N 362.469 5.376 0 1 FKAF Cc1c(-c2ccc(Br)cc2Cl)[nH]c2c(C)cc(Cl)cc12 587624013 VYELTUXVDMMPBQ-UHFFFAOYSA-N 369.089 6.521 0 1 FKAF Cc1cc(Cl)cc2c(-c3cccnc3)c(-c3cccc(Cl)c3)[nH]c12 587624563 ORXZZYZSQQTSQS-UHFFFAOYSA-N 353.252 6.512 0 1 FKAF CC(C)[C@@]1(C2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587817583 CTSDMFILKJHPLZ-DJJJIMSYSA-N 368.334 5.554 0 1 FKAF CCc1cccc(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587819312 LRADIWHVTYLFBW-BLVKFPJESA-N 362.286 5.083 0 1 FKAF COc1ccc(-c2ccc(-c3nc4c(F)c(F)ccc4[nH]3)cc2)cc1OC 587928788 LTABHZZUEDWIKA-UHFFFAOYSA-N 366.367 5.192 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CC[C@H](C)C[C@@H]2C(C)(C)C(C)C)N1 962949488 FVWVVMKDDQWLFK-ATJZSOBBSA-N 366.593 6.406 0 1 FKAF Fc1cccc2c1[C@@H](c1c(Cl)ccc(Cl)c1F)N1CCC[C@@H]1C2 963111706 QYYQFWWNZYRIFJ-ZMZPIMSZSA-N 354.227 5.382 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C=C(OCC)OCC)C(F)(F)F 963244627 XBJPDKUDKIKRJO-KXBFYZLASA-N 371.443 5.015 0 1 FKAF FC1(F)CCN(Cc2ccc3ccccc3c2)C[C@@H]1CCc1ccccc1 1772576155 QGYSVFJCSLYRMY-QHCPKHFHSA-N 365.467 5.930 0 1 FKAF CC(C)=C[C@@H]1C[C@](C)(C=Cc2cccc3c2NCC3)c2cc3[nH]ccc3cc21 2356468512 GKHRETADSMOCEN-RLWLMLJZSA-N 368.524 6.561 0 1 FKAF CCC=C(C)C[C@H](C)C(=O)[C@@H](C)C1=C(C)[C@H]2O[C@@](CC)(O1)C(C)=C[C@H]2C 2356553980 NXFSSBOUIVVCNL-XZWXYZBGSA-N 360.538 5.966 0 1 FKAF Cc1ccc(NCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 2382259078 NJBDADWUOOUMIO-UHFFFAOYSA-N 373.481 5.322 0 1 FKAF CC[C@H](CC[C@@H](C)[C@@]1(C)CCc2c1ccc1c2ccc2ccccc21)C(C)C 2558942 DOOKGIUHXBYNAK-UMQWNRPGSA-N 372.596 8.295 0 1 FKAF biogenic C/C=C/[C@@H]1OC(=O)C=C[C@@H]1OC(=O)/C=C/C(C)=C/[C@@H](C)CCCCCC 3981638 CQTZIHSZGZYODO-AWPWBEOOSA-N 360.494 5.065 0 1 FKAF CNCC[C@@H](Oc1cccc2ccccc12)c1ccccc1C(F)(F)F 13588064 OIHBSJFKSKENBL-HXUWFJFHSA-N 359.391 5.588 0 1 FKAF CCCCC[C@H](C)SC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28097971 JPUVEYMMQIVSGF-YEOCCRFSSA-N 368.583 5.683 0 1 FKAF FC(F)(F)c1ccc(Cn2cnnc2-c2cccc(Cl)c2Cl)cc1 28898094 KMUJTYLLFBYZHQ-UHFFFAOYSA-N 372.177 5.319 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC=C[C@H]1C[C@H]3O 33820811 HGFANIZQTWEQMY-MMSVWBHPSA-N 374.565 5.283 0 1 FKAF CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)cn1 58581812 RXCTZCYFGJAJCU-UHFFFAOYSA-N 352.478 5.287 0 1 FKAF CC1(C)C[C@@](CCNc2ccc(C(C)(C)C)cc2)(c2ccccc2)CCO1 72107606 RQGCKSRATVIWJC-VWLOTQADSA-N 365.561 6.313 0 1 FKAF C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)C1=Cc1cc(O)c(O)c(C=O)c1O 85886215 VGSQRECMCPQJNS-CBJTVTONSA-N 358.478 5.262 0 1 FKAF biogenic CCCCCCc1ccc([C@H]2COC(c3c(F)cccc3F)=N2)c(F)c1 103288152 JTSTYDJJARRPCL-LJQANCHMSA-N 361.407 5.745 0 1 FKAF CC(C)=CCC[C@@](C)(O)[C@@H]1C/C=C(/C)CC/C=C(\CO)CC/C=C(\C)CC1 136939673 VUURSWUKVPJIET-BKWACMFBSA-N 374.609 6.656 0 1 FKAF CC(C)N(CC[C@@H](O)c1ccc2ccccc2c1)Cc1ccc(F)c(F)c1 142049942 KQPXXBWNLXJRGL-HSZRJFAPSA-N 369.455 5.452 0 1 FKAF in-vivo COc1ccc(CN(CC[C@@H](O)c2ccc3ccccc3c2)C(C)C)cc1 145176002 UYAUYSLEOUKFJK-XMMPIXPASA-N 363.501 5.183 0 1 FKAF COc1cccc(Nc2cc3ccc(-c4cc(F)ccc4C)cc3cn2)n1 169699995 BZHBGTRPEKMCCL-UHFFFAOYSA-N 359.404 5.497 0 1 FKAF CSc1ccc(F)cc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 224782821 AJFPDUORUFJSRU-UHFFFAOYSA-N 353.397 5.292 0 1 FKAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OCC)[C@]2(C)[C@H]1C 238761327 QVCCBGBILDRMPT-QANGSVIUSA-N 360.494 5.152 0 1 FKAF Cc1cc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)c1 586991011 KBWNTDNQCUAXGF-UHFFFAOYSA-N 367.404 5.141 0 1 FKAF Cc1cncc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082450 OPQKJYCWFYPGIB-UHFFFAOYSA-N 370.843 5.802 0 1 FKAF CC(=O)c1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587158995 UQCGGAOTNGAEBA-UHFFFAOYSA-N 358.372 5.051 0 1 FKAF Fc1ccc2[nH]cc(Cc3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2c1 587175705 ZIZRKOIIRQXSRD-UHFFFAOYSA-N 367.733 5.446 0 1 FKAF C[C@]1([C@@H]2C[C@H]3CC[C@@H]2C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357475 UMTBLFHGFCGMSR-BTNQAAOWSA-N 366.432 5.085 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](C)[C@H]3C)c1 587366409 MBFTUQXTVZISDJ-LSDHHAIUSA-N 357.453 6.342 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(SC3CCCCC3)cc1)O2 587412301 YMHSLHNNLVBMNY-OAQYLSRUSA-N 367.514 5.709 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1coc3c1cc(O)c1ccccc13)O2 587412797 OYZIBHSCOFKGNL-QHCPKHFHSA-N 373.408 5.063 0 1 FKAF C[C@]1(c2c(Cl)[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587496202 ACMYVZJEYAEKOU-JOCHJYFZSA-N 365.860 5.581 0 1 FKAF Cc1nc(-c2ccccc2)ncc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514701 JCSGAZXDIJAUQA-QFIPXVFZSA-N 370.452 5.037 0 1 FKAF CC(C)(C)Sc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587534554 ZYJSHDRBFKCCON-HXUWFJFHSA-N 366.526 6.163 0 1 FKAF COCCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cccc(F)c12 587633561 GSTMARFKPQTLPY-UHFFFAOYSA-N 351.343 5.572 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)NCc3ccc(Cl)cc3)c2c1 587639705 BUWSWFFACPYXNP-ZDUSSCGKSA-N 354.881 5.573 0 1 FKAF Oc1ccc(-n2c(O)cc(-c3ccccc3F)c2O)cc1-c1ccccc1 587927862 ZDBXRKXAFIYCIY-UHFFFAOYSA-N 361.372 5.067 0 1 FKAF COc1ccc(C2(c3nc4ccc5c(c4[nH]3)CCCC5)CC3(CCC3)C2)cc1 587935449 LEOSETVDMSCKHC-UHFFFAOYSA-N 372.512 5.701 0 1 FKAF Cc1ccc2c([C@H]3c4ccsc4CCN3Cc3cccn3C)c[nH]c2c1 962400322 UHEDGTBIMYAKLJ-JOCHJYFZSA-N 361.514 5.024 0 1 FKAF CSc1ccccc1[C@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962695833 FVVWFDOGONPCLV-VFNWGFHPSA-N 373.562 5.175 0 1 FKAF CCCCCCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N 1772642222 APNJOMCSDNBJJG-UHFFFAOYSA-N 359.445 5.149 0 1 FKAF FC(F)(F)Oc1ccc(-c2cn([C@@H]3CCCCc4ccccc43)nn2)cc1 1857599565 XRSHDFAWKYFMMY-LJQANCHMSA-N 373.378 5.160 0 1 FKAF CC[C@]1(CO)CCC[C@]2(CC)[C@@H]3CC[C@]4(CC)[C@H](CO)[C@]4(C)[C@@H]3CC[C@@H]12 2356340707 VYQWCNNMMGUBMV-HNOCGRQGSA-N 362.598 5.416 0 1 FKAF COc1cc2c(c(C)c1O)C=C[C@@](C)(CCC=C(C)CCC=C(C)C)O2 2356588570 AGUVEQLHXOYHEK-HSZRJFAPSA-N 356.506 6.346 0 1 FKAF CCCCC=CCCCCCCCCCc1cccc(OC)c1C(=O)OC 2356745484 DWNSTHXHWNEYCU-UHFFFAOYSA-N 374.565 6.892 0 1 FKAF Clc1ccc2[nH]cc(-c3nn4cc(-c5ccsc5)nc4s3)c2c1 2382230994 SWKISMHIGIURNO-UHFFFAOYSA-N 356.863 5.321 0 1 FKAF c1ccc(CN2CCC(COCc3ccc(-c4ccccc4)cc3)CC2)cc1 13730111 IXUZKLIPOQFKNW-UHFFFAOYSA-N 371.524 5.782 0 1 FKAF CC1(C)CCC(C)(C)c2cc(C(=O)c3cccc(/C=C/C(=O)O)c3)ccc21 26730599 KUGSQBMMMFDZHA-DHZHZOJOSA-N 362.469 5.364 0 1 FKAF CCCCCCOc1c(OC)cc(N[C@@H](C)CCCN)c2nc(C)ccc12 28218828 IWSAVABUTOPSQU-INIZCTEOSA-N 373.541 5.050 0 1 FKAF CCCc1nnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1CC 28825614 YAXTZZABGYDKTP-UHFFFAOYSA-N 352.187 5.108 0 1 FKAF O=C(O)c1cccc(-c2ccc(-c3cc4cccc(Cl)c4s3)[nH]2)c1 29470828 MRMAJHDZMBMLDG-UHFFFAOYSA-N 353.830 5.915 0 1 FKAF CC1(C)CC[C@@]2(CC[C@H]3[C@@H]4CCc5ccccc5[C@H]4CC[C@@]32C)OC1=O 40406241 HKUHOTAJMYCHKG-PJPYIVHJSA-N 352.518 5.645 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cnc(C)c1C 45366468 AWDICAUUCMTSSA-MSOLQXFVSA-N 366.958 5.961 0 1 FKAF O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1cc(F)c(F)cc1F 95585947 DRXYHBUWFHVONJ-UHFFFAOYSA-N 366.286 5.360 0 1 FKAF CCOC(=O)c1c(OC)cc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1 98085640 STHQFDSWFLNAIZ-UHFFFAOYSA-N 368.379 5.484 0 1 FKAF Clc1ccc(C2(OCc3ccccc3)C[C@H]3CC[C@H](C2)N3)cc1Cl 101300679 SGWFXQFBBZKSIH-IAGOWNOFSA-N 362.300 5.320 0 1 FKAF CC/C=C\CCSC[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101616709 YDJGESKTURUXSO-KQGCJOOUSA-N 352.540 5.071 0 1 FKAF CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(C)o2)C2=C(O)CCCC2=N1 102581160 GKTWZZIZYUEJMK-OAQYLSRUSA-N 369.461 5.272 0 1 FKAF O=C(O)c1sc(-c2ccccc2)cc1N1C(=O)CC[C@H]1C1CCCCC1 113824783 XKVVNTKSBNWRDA-INIZCTEOSA-N 369.486 5.189 0 1 FKAF C[C@H](CCCO)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCCC[C@H]1C[C@H]3O 299838556 VGAZUFHPGVCDDW-QXKARQELSA-N 362.598 5.415 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586962859 IGCFXLDUQMMCFL-JTQLQIEISA-N 370.827 6.230 0 1 FKAF Cc1cc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C 586992003 SLQMILAMCROZOQ-UHFFFAOYSA-N 365.432 5.744 0 1 FKAF CSc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017329 JPBGIIDDYHMYGZ-UHFFFAOYSA-N 365.483 5.010 0 1 FKAF CC(C)Oc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587030046 ZEFBTWSAQPIGFR-UHFFFAOYSA-N 365.458 5.053 0 1 FKAF CC(C)Oc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587105625 BMMMGYQFZBPCID-UHFFFAOYSA-N 365.432 5.900 0 1 FKAF CCCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587108216 XIQLHTGPRFLGMM-UHFFFAOYSA-N 365.432 5.902 0 1 FKAF Oc1c(F)cc(F)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587134632 RYISVPGQYGVJEH-UHFFFAOYSA-N 354.381 5.365 0 1 FKAF CCC[C@H](C)[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351730 GYKBFRPVQIWEHS-UPNLOYSTSA-N 356.437 5.475 0 1 FKAF Cc1nc(-c2ccccc2Cl)sc1-c1cc2c3c(cccc3n1)CC2 587358073 ASMRNRFWELOKRM-UHFFFAOYSA-N 362.885 6.086 0 1 FKAF O=C1C[C@@H](c2ccc(OCCCF)cc2)Oc2c1ccc1c2CCCC1 587507182 OSEFLWXBUUFKBU-NRFANRHFSA-N 354.421 5.010 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 587565179 ZYZHEMJZNBNMCU-UHFFFAOYSA-N 362.395 5.848 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)c(F)c3)c(CCC(=O)O)c2c1 587642038 LQFXFUIHYRZDCN-ZDUSSCGKSA-N 369.436 5.513 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3cccc(F)c3)c2c1 587642486 NZOLRIQJQUVHDD-OAHLLOKOSA-N 361.435 7.294 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Cl)c2)N1 587696156 CVGLMJPDVKETET-QGHHPUGFSA-N 368.677 5.039 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C\C2CCCCC2)N1 587814045 FQIUTHLMKQWVDD-SAXVRSFESA-N 366.318 5.474 0 1 FKAF Brc1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cn1 587966319 BJAZPZHZKVDZEG-CMDGGOBGSA-N 350.219 5.044 0 1 FKAF Cc1ccccc1[C@@]1(CC(C)(C)C)NCCc2cccc(-c3ccccc3)c21 962669249 OZWMAZQGKSNMLM-HHHXNRCGSA-N 369.552 6.488 0 1 FKAF C[C@@H]1CCc2ccccc2[C@@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962701220 JRELPNBGTMWTSE-WLENULPWSA-N 367.533 5.015 0 1 FKAF CCc1ccc([C@@H]2CCC[C@@]3(C2)N[C@@H](CC)Cc2c3[nH]c3ccccc23)cc1 962942877 CSRNGICTMQUMDC-SWYRRKHMSA-N 372.556 6.208 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2oc3ccc(OC)cc3c2C)N1 962949233 DUCOKBQYOLVSRO-IZHWHUGBSA-N 374.484 5.419 0 1 FKAF COc1cccc2c3c(cnc12)CCN[C@@H]3[C@H](C)[C@@H](C)CCC=C(C)C 963046494 JKNAEWOUNMDGAF-GSHUGGBRSA-N 352.522 5.449 0 1 FKAF CCOc1cc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)ccc1OC(C)C 963106281 RHVBDZUKYQLSHZ-CVDCTZTESA-N 369.480 5.122 0 1 FKAF Clc1ccc2c(NCCCC[N@]3O[C@H]3c3ccccc3)ccnc2c1 1857623876 MMUAXWUXILQCRK-RDPSFJRHSA-N 353.853 5.026 0 1 FKAF CC(=O)O[C@@H]1OC(=O)C2=CCC=C(C)CC[C@H]([C@@H](C)CCC=C(C)C)[C@@H]21 2356566877 YFMNECJVGMKBNA-PBNJOUANSA-N 360.494 5.104 0 1 FKAF CC(=O)OCC=C(C)CC[C@@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]21C 2356605444 GYGSQPMBVQQYCF-SEIRJHJZSA-N 350.543 5.270 0 1 FKAF CC=C(C)C(=O)O[C@@H]1CC=C(C)CCCC(C)(C)[C@@H](OC(C)=O)C=C1C 2356679044 DJZAMDRFIUQAJH-UXHICEINSA-N 362.510 5.289 0 1 FKAF C[C@@H]([C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(N(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356723525 MCFFBNGJPPEVCQ-VOQPLXOJSA-N 372.641 5.651 0 1 FKAF CC(C)CCNC(=O)c1c(C(C)(C)C)noc1-c1c(F)cccc1Cl 777258 WZHSOBWYUOSISQ-UHFFFAOYSA-N 366.864 5.208 0 1 FKAF O=C1SCCN1Cc1ccc(Oc2ccc(C3CCCC3)cc2)cc1 12341143 HUCRXQXFFHZBJX-UHFFFAOYSA-N 353.487 5.805 0 1 FKAF Cc1ccc(C(=O)c2sc(Nc3ccccc3)c(C(=O)O)c2C)cc1 28713194 UDUDTFIFXZDSMM-UHFFFAOYSA-N 351.427 5.038 0 1 FKAF CC[C@@H]1CCCCN1c1cc(Oc2ccc(-c3ccccc3)cc2)ncn1 34055146 SYZKPLMHLSQHRA-HXUWFJFHSA-N 359.473 5.705 0 1 FKAF CC(C)N(C(=S)SCc1cc(=O)c2ccc(Cl)cc2o1)C(C)C 43022766 CBTQTNABNKVBEZ-UHFFFAOYSA-N 369.939 5.083 0 1 FKAF O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(-c3ccccc3)cc12 64528016 LSHLIINFMYHQMQ-UHFFFAOYSA-N 370.330 5.102 0 1 FKAF CCCCC[C@H](O)/C=C/C=C/CCCC[C@@H](CCC(=O)O)CCC(C)C 85491026 GXMYTVGZPABJDJ-XDQWPUJXSA-N 366.586 6.518 0 1 FKAF biogenic,in-vitro CC1(C)CCc2c(c3ccccc3c3nc(-c4ccc(Cl)cc4)[nH]c23)O1 95576146 LAVSCICPAIBXGL-UHFFFAOYSA-N 362.860 6.140 0 1 FKAF O=c1cc(-c2ccccc2)oc(O)c1[C@@H](CC1CC1)SC1CCCCC1 100997194 JBSXNEBMJZBGCO-HXUWFJFHSA-N 370.514 5.920 0 1 FKAF C/C(=C\c1nsc(Nc2ccc(C)c(Cl)c2)n1)NC1CCCCC1 103624551 HHPPCQBLXLKBNM-JLHYYAGUSA-N 362.930 5.527 0 1 FKAF CO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]32)C1 255287781 ZTNBSFMIFOLVCM-AJOZYHBOSA-N 359.598 5.531 0 1 FKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc3ccccc3cc2[nH]1 587076727 MTMRSYHYNYBFQQ-UHFFFAOYSA-N 371.827 5.804 0 1 FKAF FC(F)(F)c1cc(Br)cc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c12 587092897 HYGMWMFOTUVVNJ-WDSKDSINSA-N 373.094 5.010 0 1 FKAF C[C@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1C(F)(F)F 587096449 BKGKQBPRTLRIAN-VIFPVBQESA-N 374.284 5.632 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](OC(C)C)C4)-c1ccccc1C2=O 587099432 IJSXXFYQXPADBX-OAHLLOKOSA-N 357.453 5.037 0 1 FKAF Fc1cc2[nH]c(Cc3ccccc3C(F)(F)F)nc2cc1Br 587106158 GCXTZJDGUZNJOS-UHFFFAOYSA-N 373.147 5.074 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc3ncccc3c2[nH]1 587111790 BAAJJDJNBZUOBK-LBPRGKRZSA-N 355.363 5.476 0 1 FKAF CC(C)Oc1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1 587165374 SRIRZWDJJUAOIU-UHFFFAOYSA-N 352.434 5.885 0 1 FKAF Cc1c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165593 FGSCEAMRPNPVGN-UHFFFAOYSA-N 373.353 5.702 0 1 FKAF CC(C)Cc1c(-c2ccoc2)nc2cccc3c2c1-c1ccccc1C3=O 587207889 YOKRSARGHWECFJ-UHFFFAOYSA-N 353.421 5.905 0 1 FKAF Clc1cc(Br)c2c(c1)-c1nc3cccc4c3c(c1C2)CC4 587208294 OEHXRNCWVZZXKC-UHFFFAOYSA-N 356.650 5.321 0 1 FKAF COc1cccc(-c2c(CCN(C)C)c(C)nc3c2oc2ccccc23)c1 587360169 JYTDFSWKSUNZBE-UHFFFAOYSA-N 360.457 5.069 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1cccs1)CC2=O 587494285 KTPFAIXXIAXUER-FQEVSTJZSA-N 364.466 5.780 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3csc(SC)c31)CC2=O 587495366 QPKGBZTVEXVFCY-FQEVSTJZSA-N 374.527 5.325 0 1 FKAF O=C1C[C@@H](c2cccc(C(=O)C3CCCC3)c2)Oc2c1ccc1c2CCCC1 587520893 BBZCCWYUASQHAO-QHCPKHFHSA-N 374.480 5.645 0 1 FKAF O=C1C[C@@H](c2ccccc2OC2CCCC2)Oc2c1ccc1c2CCCC1 587526895 XPJYSHWMDRJUHC-QHCPKHFHSA-N 362.469 5.593 0 1 FKAF O=C1C[C@@H](c2ccccc2-c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 587529407 BNNOGUNWYJIWJF-DEOSSOPVSA-N 370.448 5.645 0 1 FKAF CCC[C@@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587531027 ILPNXALCZIDURO-FQEVSTJZSA-N 360.906 5.941 0 1 FKAF Cc1cc(Cl)cc2c(Sc3ccccc3)c(-c3ccc(F)cc3)[nH]c12 587624082 CDEVMXJQZPSIHX-UHFFFAOYSA-N 367.876 7.087 0 1 FKAF Fc1cccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(-c3ccccc3)c12 587633316 ZLVYCGDJNNKUTB-UHFFFAOYSA-N 356.227 6.948 0 1 FKAF CCOC(=O)c1c(-c2ccc(F)cc2F)[nH]c2ccc([C@H](C)CC)cc12 587642333 MXJSKJONXPLRFT-GFCCVEGCSA-N 357.400 5.803 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2Cl)N1 587716063 DFWDHSDHVJYGKR-ZKANADHPSA-N 372.640 5.004 0 1 FKAF CC(C)=CCC[C@H](C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821038 SGQDUTVRMGLZHB-ZJNRKIDTSA-N 354.307 5.546 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc2ccccc12 587862596 DTCJMZRTSQCDJB-UHFFFAOYSA-N 368.358 5.720 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc5ncccc5c4[nH]3)c2)c1 587933010 IOEIMPANJMGMGF-UHFFFAOYSA-N 367.408 5.159 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2c(Br)ccnc2[nH]1 587950460 BWJJNTVOJNAUNI-NSHDSACASA-N 368.234 5.014 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(Br)c(F)cc2[nH]1 587950922 FDWCNSLIKPZGIC-GDLVEWKHSA-N 369.278 5.511 0 1 FKAF COc1ccc(C(=S)N2c3ccccc3Sc3ccccc32)cc1F 653916030 SXHFMVMZKUCTIE-UHFFFAOYSA-N 367.470 5.813 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c(C2CC2)nc2sccn12 963233783 DEEAYMQMLVUACQ-LIRRHRJNSA-N 351.519 5.019 0 1 FKAF Fc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(Cl)c(Cl)c2)cc1F 1772584667 BCNARRMKHQUBTJ-KBPBESRZSA-N 357.227 5.319 0 1 FKAF CC(C)CCNc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1 1772598393 WKFCXLSJUDARDH-UHFFFAOYSA-N 351.881 5.922 0 1 FKAF O=C(O)CCNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1 1772655695 YKMVULOFOTWSES-UHFFFAOYSA-N 361.466 5.286 0 1 FKAF CCC(C)(C)c1ccc(OCCCCCCCN2CCC(C)CC2)cc1 1857538259 OGOMRHOWEGLGBX-UHFFFAOYSA-N 359.598 6.435 0 1 FKAF Cc1cc(Oc2nccc3occc23)cc(C)c1-c1cccc2nccn12 1857604991 BTCQFTWDLCABNK-UHFFFAOYSA-N 355.397 5.552 0 1 FKAF CC1=CCOc2ccc3c(c2)OC(=O)[C@@H]2[C@H]3[C@H](CCC(C)=CCC1)C2(C)C 1857632485 YMOYOBVTCMAAET-NNWRFLSQSA-N 366.501 5.807 0 1 FKAF CC(=O)Oc1ccc(O)cc1C[C@@]1(C)[C@@H]2CCC=C(C)[C@]2(C)CC[C@H]1C 2356803188 WUPXFGNCTYEWMM-LTFXSFKNSA-N 356.506 5.659 0 1 FKAF CC(C)=CCCC1=CCC2(C(=O)C(C)(C)C(=O)C(C)(C)C2=O)[C@@H](C(C)C)C1 2382228156 XUNKZDFPSKJKIN-GOSISDBHSA-N 372.549 5.485 0 1 FKAF CCC[C@@H]1CCCC/C=C\CCCC(=O)OCCN1C(=O)OC(C)(C)C 34650087 XSXBVWWVGPNFHH-XOWYPZSQSA-N 367.530 5.236 0 3 FKAF CC[C@H](COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 36389261 ZUOWQBNCRQTFJD-GOSISDBHSA-N 367.493 5.033 0 3 FKAF COc1cccc(C)c1Oc1ccc2c(-c3ccc(F)cc3)noc2n1 205223593 KBNDSYSNWWIHEW-UHFFFAOYSA-N 350.349 5.138 0 3 FKAF CC(C)CCCCCCCCCCCCCCC(=O)c1ccc(CO)[nH]1 14611580 GXOANZNTYREMEQ-UHFFFAOYSA-N 363.586 6.807 0 1 FKAF biogenic O=C(c1ccc(OCCNC2CCCCC2)cc1)c1cccc2ccccc12 40564643 OGSUCKYDISBVNY-UHFFFAOYSA-N 373.496 5.372 0 1 FKAF O=C(Nc1ccccc1)Nc1ccc(Oc2ccc(-c3ncc[nH]3)cc2)cc1 49803525 LOTIUPFJCKDNNI-UHFFFAOYSA-N 370.412 5.513 0 1 FKAF O=c1c2c([nH]c3ccc(-c4ccc(C(F)(F)F)cc4)cc13)CCSC2 72108860 YZCAGBDCJVITSS-UHFFFAOYSA-N 361.388 5.003 0 1 FKAF O=C(C[C@@H](Sc1ccccc1)c1ccccc1)c1cccc(Cl)c1 72139885 WKPDSRKWEVUYIR-OAQYLSRUSA-N 352.886 6.446 0 1 FKAF CC(C)=CCOc1ccc(C(=O)c2ccc(OCC=C(C)C)cc2)cc1 96915557 UEYLDRQMWJFOGS-UHFFFAOYSA-N 350.458 5.608 0 1 FKAF CCOP(=O)(C[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C)OCC 165789641 HKYADLMJLPBMTK-LERJKICOSA-N 372.486 5.102 0 1 FKAF Fc1ccc([C@@H]2C[C@@H]3CC[C@@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1 169335222 LSHLQBBAJNMIOH-HXHBTQRASA-N 365.473 6.016 0 1 FKAF CCc1oc2ccccc2c1-c1nc2cc(Br)c(F)cc2[nH]1 586902603 CZYSLJJFYJWSSJ-UHFFFAOYSA-N 359.198 5.440 0 1 FKAF Cc1ccc(-n2ccnc2SCc2nc3cc(C)cc(C)c3[nH]2)c(C)c1 586966440 NFWJYYNEGAFSRE-UHFFFAOYSA-N 362.502 5.275 0 1 FKAF Cc1ccc(CSCCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 586970199 IDVZIFYFWXGPHV-UHFFFAOYSA-N 351.302 5.654 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc(C4CC4)c3)nc3ccc(O)c1c23 586992704 YAZYYVJIFUZNKM-UHFFFAOYSA-N 363.416 5.696 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cccc(C(F)(F)F)c2[nH]1 587011545 LICDZLVSYHJKFC-UHFFFAOYSA-N 373.403 5.604 0 1 FKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc4ccccc4cc3[nH]2)c1 587050682 ZSLIPUDNLQNEJZ-UHFFFAOYSA-N 363.848 5.631 0 1 FKAF O=C(O)c1cccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587050872 MUXFYNSJGFQLRM-UHFFFAOYSA-N 373.195 5.495 0 1 FKAF Fc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1F 587063662 YGLGRIZXLJPBDR-UHFFFAOYSA-N 354.787 5.752 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cn(-c5ccc(Cl)cc5)nc4C)[nH]c32)n1 587075139 CLANVWWSECXHTE-UHFFFAOYSA-N 373.847 5.234 0 1 FKAF Fc1cc(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)ccc1-c1ccccc1 587145649 MWDOVNLZMKZQJE-UHFFFAOYSA-N 371.242 6.267 0 1 FKAF Cc1cc(Cl)cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587231870 GRDPPYKIMDRVRU-UHFFFAOYSA-N 351.837 5.075 0 1 FKAF COc1cccc(-c2cc(C3C(C)(C)C3(C)C)nc3c2oc2ccccc23)c1 587364460 AHPRWPALJFTSMW-UHFFFAOYSA-N 371.480 6.806 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C)C[C@@H](C)C3)c1 587367828 XLEFYQXAJRAGMS-HUUCEWRRSA-N 357.453 6.342 0 1 FKAF CSC[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370489 XIRGZINEVDKKKX-RXVVDRJESA-N 374.477 5.038 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(C(C)C)CC2=O 587460056 FIUPYSUPRPGZKH-JOCHJYFZSA-N 372.892 5.601 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(OC3CCC3)c1)CC2=O 587465990 IPXQACGORMYWAU-HXUWFJFHSA-N 370.420 5.122 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(CC(C)C)c1C)CC2=O 587469835 GSNYMNBXGYCTNW-NRFANRHFSA-N 355.478 5.126 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](Cc3ccccc3)C1)CC2=O 587479818 JEEUISSJOUTQBU-MHECFPHRSA-N 364.485 5.482 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccccc1C)CC2=O 587484515 SORJQUZFIALPAZ-DEOSSOPVSA-N 372.464 6.027 0 1 FKAF CC(C)c1ccc(C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601741 GVHBNEJVYVLKDB-YADHBBJMSA-N 374.436 5.089 0 1 FKAF CCc1c(-c2ccc(Br)cc2F)[nH]c2ccc([C@H](C)CC)cc12 587642492 OAWKHCCYQODSBY-GFCCVEGCSA-N 374.297 6.812 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(C(=O)OC)cc3)c2c1 587643070 QUBGCTMYVBISOD-ZDUSSCGKSA-N 364.445 5.029 0 1 FKAF Cc1cc2c(cc1F)[C@@]1(C[C@@H](c3ccccc3)Nc3ccccc31)NCC2 962094925 URGLDVUJGBASFP-ZEQRLZLVSA-N 358.460 5.080 0 1 FKAF CC(C)=CCCC(C)=CCN1C(=O)[C@]2(C[C@@H](C)C[C@@H](C)O2)c2ccccc21 1857622504 FCLSDSXDBAGLFT-ROKPMTFOSA-N 367.533 5.756 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)cc(O)c(C=O)c1C 2356590485 OYFBMJVJPUPJQG-UHFFFAOYSA-N 356.506 6.180 0 1 FKAF COc1ccc(C(=O)O)cc1CC=C(C)CCC=C(C)CCC=C(C)C 2356700821 GROHLIUQTAXNHP-UHFFFAOYSA-N 356.506 6.355 0 1 FKAF [O]C(=C1C=CN(CC(=O)c2ccc(Cl)c(Cl)c2)C=C1)c1ccccc1 2356820220 TYUXYECRXNKJLK-UHFFFAOYSA-N 371.243 5.361 0 1 FKAF CSc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 841240 PZQZQDIIWVHESQ-UHFFFAOYSA-N 360.457 6.272 0 1 FKAF C[C@H]1CN(C/C=C/c2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1 13779626 RRGWRLNJBLFYOG-KISUKSLOSA-N 355.909 5.359 0 1 FKAF in-vivo CCCCCCC(=O)CCCCCCCC/C=C/C(=O)N1CCCCC1 14619904 GRKRIZFIWHHTAJ-XMHGGMMESA-N 363.586 6.215 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820865 OSWFLIMKXDUTKW-FKOMGKCASA-N 372.549 5.635 0 1 FKAF CCCC(=O)c1ccc2c(c1)/C(=C\[C@H](C)CN(C)C)c1ccccc1S2 40511655 HHNWCWASPBLWFM-UEIJICEPSA-N 365.542 5.763 0 1 FKAF Nc1sc2c(c1C(=O)c1cccc(C(F)(F)F)c1)CCCCCC2 71333197 BPMWHKICSOCXCW-UHFFFAOYSA-N 353.409 5.239 0 1 FKAF Cc1ccc(C[C@H](Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 84811013 NUNGTNMUNRDUFU-RUZDIDTESA-N 352.481 5.885 0 1 FKAF O[C@@H](CCc1ccccc1)Cn1cnc(-c2ccccc2)c1-c1ccccc1 87722478 RTHVBUZQNCNXHS-QHCPKHFHSA-N 368.480 5.211 0 1 FKAF Cc1ccc(Cc2cc(O[C@@H]3CCCC[C@@H]3C)c(C(C)C)c(=O)[nH]2)cc1 95587842 IEEKRCLQMYQEAW-FXAWDEMLSA-N 353.506 5.355 0 1 FKAF CCc1ccc(Nc2nnc(-c3ccc(OC)cc3)c3ccccc23)cc1 95593130 TZCWPKBRCNVGFH-UHFFFAOYSA-N 355.441 5.611 0 1 FKAF c1ccc(-c2[nH]c3ccccc3c2C2CCN(c3ccccc3)CC2)cc1 169729112 ZHXVQRYIFPABPL-UHFFFAOYSA-N 352.481 6.219 0 1 FKAF C[C@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4CC(=O)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C 255230158 LXPWEKOLVATYSJ-RSHHCOEZSA-N 357.582 5.309 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1 586881034 RSVVGZYYVRQMKH-UHFFFAOYSA-N 359.267 5.386 0 1 FKAF Cc1ccc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2c1 587022345 WJBLDHOMWJFQHE-UHFFFAOYSA-N 351.500 5.596 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4nccc(Cl)c4[nH]3)c21 587031079 ODAXZIJGYWEIBD-LLVKDONJSA-N 368.893 5.570 0 1 FKAF Fc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1F 587064961 QWUJSPHTABHCIQ-UHFFFAOYSA-N 360.747 5.334 0 1 FKAF Cc1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587069662 MAYWGJZAEZOWBC-SILNSSARSA-N 372.899 6.698 0 1 FKAF Cc1cc(Br)cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587085904 NIKOIAFBBXPNFR-UHFFFAOYSA-N 372.653 5.502 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587112893 ICLWLZDIIBWCAZ-CYBMUJFWSA-N 360.423 6.225 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4cc(OC)c(Cl)cc4[nH]3)c2)c1 587236505 WWWGICMBRFYNDM-UHFFFAOYSA-N 363.848 5.601 0 1 FKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2CC2)[C@@H]1c1ccc(F)cc1 587358391 XSTCMXKMBLXHBG-ISKFKSNPSA-N 374.411 5.196 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCCOc1ccc(Cl)c(C)c1)O2 587374647 IMICDUDFRWUSDT-OAQYLSRUSA-N 373.880 5.122 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4ccc(C)cc4)c1)[C@@H](C2)C3=O 587441760 IOHKGGDHSUTCMY-RDPSFJRHSA-N 372.420 5.285 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(F)c(F)c(F)c1)CC2=O 587467237 RTCPBTPYFCIGBI-HXUWFJFHSA-N 364.363 5.033 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc([C@@H](C)OC)cc1)CC2=O 587483270 PZZQBBROGKYBMB-IQMFZBJNSA-N 368.473 5.323 0 1 FKAF CC(C)c1cccc2c1OCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587535132 ITRAWKXASDLJRR-XMMPIXPASA-N 362.469 5.332 0 1 FKAF CCC[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604444 TXUXDKALUKTSPR-MPHOGZCYSA-N 352.430 5.083 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(C)(C)C)c(Cc3ccc(Cl)cc3)c2c1 587642507 SVEFOLBACLTQBQ-OAHLLOKOSA-N 353.937 7.223 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(C(=O)OC)cc3)c2c1 587643065 QUBGCTMYVBISOD-CYBMUJFWSA-N 364.445 5.029 0 1 FKAF CC(C)=C1CC[C@H](C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587817125 IVWQCKDYWOTSQZ-QUJCMNEKSA-N 366.318 5.474 0 1 FKAF Fc1ccc2c(c1)-c1cc(n(-c3c(Cl)cc(Cl)cc3Cl)n1)O2 587872571 OADBNAFOLGRWAI-UHFFFAOYSA-N 355.583 5.744 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(Br)c(F)c2[nH]1 587952940 YDBFRETWSRQQIM-GYSYKLTISA-N 369.278 5.511 0 1 FKAF CCC[C@H](c1nc2c(Br)ccc(Br)c2[nH]1)C(C)C 587954782 FSHJUYPNZKHVIF-VIFPVBQESA-N 374.120 5.628 0 1 FKAF COc1cccc([C@H](C)Nc2cc(-c3ccc4ncccc4c3)nc(C)n2)c1 653681052 VLKSWRXWTRRDAZ-HNNXBMFYSA-N 370.456 5.182 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cc(C)ccn1)c1ccccc1C 963228621 MCDLRMPRTNUDHY-QFQXNSOFSA-N 370.540 5.647 0 1 FKAF Oc1ccccc1-c1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2O)n1 1772606881 ZMVDKRTWORTQEV-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF O=C(c1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc2c1=O 1772646116 MLDDYVLEKRSGEA-UHFFFAOYSA-N 359.812 5.080 0 1 FKAF C[C@@H]1[C@@H](NC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)C[C@H]2C[C@@H]1C2(C)C 1772654858 ATUHJXDTKTWWDG-FJHTZYQYSA-N 365.304 5.275 0 1 FKAF Nc1ncc(-c2ccccc2Oc2ccccc2)cc1-c1ccc(O)cc1 1857617519 UNOPWUYVRHWCEC-UHFFFAOYSA-N 354.409 5.496 0 1 FKAF O=Cc1ccc(-c2cc3c(c(C4C5CC6CC(C5)CC4C6)c2)OCO3)cc1 2356283533 QMKZXFUTGUEGME-UHFFFAOYSA-N 360.453 5.435 0 1 FKAF CCCCC=CCCCCCCCCCc1cc(=O)c2ccccc2n1C 2356516217 PNTAWDRGJFZGEL-UHFFFAOYSA-N 367.577 6.948 0 1 FKAF C[C@H]1C=C(C2=Nc3cc(Cl)ccc3Nc3ccc(F)cc32)CCN1C 2382235453 JJZQCWGLYTVPFB-LBPRGKRZSA-N 355.844 5.307 0 1 FKAF COc1ccc([C@](C)(O)c2nc(-c3cccc(C(C)C)c3)cs2)cc1 61897854 DMCQRSIQKIZOMF-NRFANRHFSA-N 353.487 5.198 0 3 FKAF Cc1c(OCc2ccc(Br)cc2)ccc2c1OC(C)(C)C=C2 1323913 NSQHHDQDUWOFOB-UHFFFAOYSA-N 359.263 5.521 0 1 FKAF CN[C@@H]1Cc2ccccc2[C@@H]1Oc1ccc(C(C)(C)c2ccccc2)cc1 1485136 NARYXLYWFXYZGG-RPWUZVMVSA-N 357.497 5.277 0 1 FKAF in-vivo CC1=CCCC(C)(C)[C@@H]1Cc1c(O)cc(/C=C/c2ccc(O)cc2)cc1O 14825127 PFXULLDGLDNOOD-IRUYWQDXSA-N 364.485 5.899 0 1 FKAF Cn1cc(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2cccnc21 36222039 WAXLJMZPFIHYPG-HSZRJFAPSA-N 367.496 5.203 0 1 FKAF O=C(c1ccc(-c2cccc(F)c2)cc1)N1CCc2c([nH]c3ccccc23)C1 40860614 KOGYDGQGQDDVDN-UHFFFAOYSA-N 370.427 5.173 0 1 FKAF c1ccc2c(c1)ccc1oc(-c3ccc(OCCN4CCCCC4)cc3)nc12 40880961 XCSSPYSKYQIWHR-UHFFFAOYSA-N 372.468 5.513 0 1 FKAF Oc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3Cl)C2)cc1 49109527 CPFFKDKUQAVLKM-OAQYLSRUSA-N 365.885 6.404 0 1 FKAF Cc1cc([C@H]2[C@@H](c3ccc(Br)cc3)C[C@@H]3CC[C@H]2S3)on1 66100243 YEUFVHULUPJOQC-XOSAIJSUSA-N 364.308 5.281 0 1 FKAF Cn1ccc2c(N(c3ccccc3)C3CCCCC3)cc3c(c21)[C@@H]1CC[C@H]3O1 72136886 ZDRFIANKQIHINK-PKTZIBPZSA-N 372.512 6.555 0 1 FKAF CCN(C)c1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2)n1 82163395 BUCRKIRTESIABA-UHFFFAOYSA-N 372.497 5.390 0 1 FKAF CCc1cnc(-c2cnc(NC3CCCC3)nc2-c2cccc(C)c2)s1 82167407 CKVYZULPYONCCA-UHFFFAOYSA-N 364.518 5.492 0 1 FKAF CCCCCc1cc(O)cc(C[C@H]2CCC[C@H]([C@@]3(C)C=CC[C@H](C)C3)C2)c1 85543632 LVMUEERNEAZUSV-IMBWNBOCSA-N 368.605 7.466 0 1 FKAF biogenic,in-vitro Oc1ccc(-c2nnc(Nc3csc(-c4ccccc4)c3)s2)cc1 169350792 FERAOKUTRXAPMP-UHFFFAOYSA-N 351.456 5.383 0 1 FKAF CCN(CC)CCOc1ccc([C@H](c2ccccc2)c2cccs2)cc1 206291628 QETOGGJTGSJZPP-QHCPKHFHSA-N 365.542 5.649 0 1 FKAF CC(C)/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 255218891 HWRYKNYRSRPFPM-YRPIZPCZSA-N 372.637 6.855 0 1 FKAF COc1cc(C(c2ccc(O)c(OC)c2)[C@H](CC(C)C)C(C)C)ccc1O 299832169 SELNWXUVGJLHEN-GOSISDBHSA-N 372.505 5.565 0 1 FKAF COc1ccc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2c1 586882317 NFKGBIIBODMIIL-UHFFFAOYSA-N 356.425 5.086 0 1 FKAF FC(F)(F)c1cc2nc(-c3ccoc3C3CC3)[nH]c2cc1Br 586901487 LJVWBLHWXJTSDN-UHFFFAOYSA-N 371.156 5.482 0 1 FKAF Cc1ccc(C)c2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc12 586961191 SQADDIHFDWFCIR-HHHXNRCGSA-N 374.509 5.218 0 1 FKAF CCc1ccc(-c2nc3cnc4ccccc4c3[nH]2)cc1Br 586977947 SLBSUUTYLLINTP-UHFFFAOYSA-N 352.235 5.103 0 1 FKAF COc1cccc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc12 587022343 WHQNODULJRNBES-UHFFFAOYSA-N 367.499 5.296 0 1 FKAF FC(F)(F)c1cc2nc(CSCc3ccsc3)[nH]c2cc1Cl 587024838 BVQHLIDDBYLUDO-UHFFFAOYSA-N 362.829 5.730 0 1 FKAF Fc1c(Cl)cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1F 587051599 ZKMCSPPLJSPSQO-UHFFFAOYSA-N 364.182 5.606 0 1 FKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587095048 ODYQOPCOHPVGGU-UHFFFAOYSA-N 370.256 5.144 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H](c1cccnc1)CC4)-c1ccccc1C2=O 587097060 NZSSHCCIZMNTHH-MRXNPFEDSA-N 362.432 5.228 0 1 FKAF FC(F)(F)Sc1ccc(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)cc1 587126587 ZSORTQWMDOODEQ-UTCJRWHESA-N 364.348 5.074 0 1 FKAF COc1cccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587152193 XJJIQPGZZBAIBV-FQEVSTJZSA-N 366.367 5.018 0 1 FKAF CCCCCc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc1 587215257 KJCQCDPPJQZWFL-UHFFFAOYSA-N 359.469 5.360 0 1 FKAF O=C(c1cc(C(F)(F)F)cnc1Cl)c1coc2ccc(Cl)cc12 587279206 YFDLPZCDGOAIGN-UHFFFAOYSA-N 360.118 5.384 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(Cl)cc2C[C@@H]1C 587461395 KDDOPPFDHXQLML-QKVFXAPYSA-N 356.849 5.051 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(C1CCCC1)CC2=O 587488627 JIGIYXDOVWQKAS-XMMPIXPASA-N 364.485 5.704 0 1 FKAF CCCCn1nc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587497837 HAXWPYKEZKGOAD-GOSISDBHSA-N 372.896 5.230 0 1 FKAF CC(C)[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587503790 GMHFIVQFDBEGHP-QFIPXVFZSA-N 354.877 5.736 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)cc2)N1 587699437 KRIWOWAGRJPULD-DYZYQPBXSA-N 368.677 5.039 0 1 FKAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@H]2[C@H]1c1ccc(Cl)cc1 653887542 OJVYJIIXANIOCP-YMPZKCBVSA-N 374.871 5.481 0 1 FKAF Cc1ccccc1CC[C@]1(C2CCCC2)NCCc2c1sc(C)c2C 963020923 IPSOAXVYTGNDAJ-HSZRJFAPSA-N 353.575 5.837 0 1 FKAF C[C@@]1(CC(=O)c2ccc(C3CCCCC3)cc2)NCCc2ccc(O)cc21 963329734 RXWXEHLZTZUXBH-DEOSSOPVSA-N 363.501 5.074 0 1 FKAF Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cccc(F)c1 1772614945 GWMZRJCTZMVRCU-UHFFFAOYSA-N 370.427 5.279 0 1 FKAF COc1cc2c(c(CC=Cc3ccccc3)c1)O[C@H](c1ccccc1)C=C2 2356284404 ZHSVHVHIIAHCHX-DEOSSOPVSA-N 354.449 6.098 0 1 FKAF CCCCC[C@H](C=CC=CCCCCCCCC(=O)OC)OC(C)=O 2356449225 FVCFYYSXQUEISL-HXUWFJFHSA-N 352.515 5.515 0 1 FKAF Cc1c(Cc2cccc3ccccc23)nc(SC2CCCCC2)[nH]c1=O 5891042 JNUFNJMBIKXIIC-UHFFFAOYSA-N 364.514 5.247 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\COP(=O)(O)O 13507589 VHUBNUSXPIJYSG-MVRGCTHJSA-N 370.470 6.241 0 1 FKAF in-vitro C[C@H](Cc1ccccc1)N[C@@H]1C[C@@H]2c3ccccc3CCc3cccc1c32 13685317 DNSDIYWJKBRJKP-ZYKLXPEUSA-N 353.509 5.583 0 1 FKAF Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CCCC4)nc23)cc1 13704517 ULXQEAQZAZBLPR-UHFFFAOYSA-N 362.864 6.166 0 1 FKAF CC(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2[C@H]1OC(=O)/C=C/c1ccccc1 36374427 YPCMOCVARABHRT-FPSJPWQPSA-N 370.533 5.235 0 1 FKAF CO[C@H](CC(=O)Cc1cccc2ccccc12)Cc1cccc2ccccc12 40411481 JQBVQZFTILFGQU-DEOSSOPVSA-N 368.476 5.752 0 1 FKAF CCCCCCC1=C(c2ccccc2)[C@]2(OCc3ccccc3)CCC[C@@H]2C1 71329498 BIGWEXCZUZTNDX-VPUSJEBWSA-N 374.568 7.570 0 1 FKAF Fc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc3oc4ccccc4c3c1)N2 72142418 UFECJZYJIZDSNJ-GAZXMLTASA-N 373.427 6.360 0 1 FKAF C[C@@H](NCc1coc(-c2ccc(Br)cc2)n1)C1CCCCC1 72185336 IFLHNTSGSKTGIE-CYBMUJFWSA-N 363.299 5.163 0 1 FKAF O=C(CCCCCCOCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 84653232 BBVJUGLBVRVAPC-UHFFFAOYSA-N 369.549 5.239 0 1 FKAF NCCSC(Cc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1 84709870 XDRJNNXOEYWSKP-UHFFFAOYSA-N 369.480 5.143 0 1 FKAF c1cc[n+](CCCCCCCCCCC[n+]2cccc3ccccc32)cc1 103240466 OPRFDSBJETWBSK-UHFFFAOYSA-N 362.561 5.626 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2[C@@H](C)CS1 144995201 YHLYCRRAQSELEI-HRCADAONSA-N 374.590 6.977 0 1 FKAF Cc1ccccc1[C@@H](C[C@H](N=O)c1ccncc1)c1ccc(N(C)C)cc1 169730246 PJPNDEXWHMPNBM-GOTSBHOMSA-N 359.473 5.486 0 1 FKAF O=C(c1ccccc1)N1CCC(C2c3ccccc3-c3ccccc32)CC1 473088030 NKHHTPLGRNPILU-UHFFFAOYSA-N 353.465 5.351 0 1 FKAF CC(C)c1c([C@H]2CCCNC2)nc2cccc3c2c1-c1ccccc1C3=O 587106299 KXAJWQRBMYQFRP-HNNXBMFYSA-N 356.469 5.037 0 1 FKAF Cc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Cl 587205583 STCNUGFIACYNIH-HNNXBMFYSA-N 365.905 5.007 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)cc1 587242707 PSCWMDDYZCEQBW-UHFFFAOYSA-N 371.774 5.611 0 1 FKAF CCCC[C@@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422591 QVJUGFACQHOPGE-UTKZUKDTSA-N 356.849 5.182 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1c1ccccc1Cl)CC2=O 587459089 BIWHPULOSRZDPS-VGOFRKELSA-N 370.876 5.670 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1F)(C(C)(C)C)CC2=O 587466679 NJZKWCQDVSSPNU-JOCHJYFZSA-N 356.437 5.391 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(C)cc1)(C(C)C)CC2=O 587489965 QDKWBDNMNUMGOB-HSZRJFAPSA-N 352.474 5.256 0 1 FKAF O=C1C[C@@](c2ccc(Cl)s2)(C2CCC2)Oc2c1ccc1c2CCCC1 587533920 ZBGWSBJYQULXEF-NRFANRHFSA-N 372.917 5.941 0 1 FKAF Fc1ccc2c(-c3ccccc3Br)c(-c3ccccc3)[nH]c2c1 587632817 RFTBKFKEKHPRGF-UHFFFAOYSA-N 366.233 6.404 0 1 FKAF COc1cccc(NC(=O)c2c(-c3ccccc3)[nH]c3cc(F)ccc23)c1 587635986 WDGATYISQIIEPW-UHFFFAOYSA-N 360.388 5.235 0 1 FKAF CC(C)=C1CC[C@H](C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587819245 UNWPOCBLRPALAR-XEKQOVJPSA-N 366.318 5.474 0 1 FKAF CC[C@@H]1C[C@H](C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587823390 PKWFTSFGECOEGX-AZGFTEDZSA-N 354.307 5.164 0 1 FKAF O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873886 LDOXUFXXFHJKEK-ZIAGYGMSSA-N 354.768 4.892 0 1 FKAF CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)NN1CCCC1 653776552 KGROWGBQDMEZNU-ZDKIGPTLSA-N 366.590 5.122 0 1 FKAF C[C@@H]1CCC[C@]2(C1)c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961778847 SXIHSSMCEXEFAB-MWTRTKDXSA-N 370.537 5.243 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCOc3c(C)cc(C)cc32)N1 962947584 NUPAUWGKWAEDHO-XDHUDOTRSA-N 360.501 5.125 0 1 FKAF C/C=C1/CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772649291 KOUPGPJAHPLLTG-IKZWKDRNSA-N 355.610 6.440 0 1 FKAF C[C@H](Nc1ccccc1-c1cccc2c1[nH]c1ccccc12)C(F)(F)F 1857758089 DPDLGRPNFVPIHU-ZDUSSCGKSA-N 354.375 6.351 0 1 FKAF CC[P@](=O)(OC)c1ccc2oc(-c3cccc(C(F)(F)F)c3)nc2c1 1911570582 GIJPBJLOHMBSSM-VWLOTQADSA-N 369.279 5.083 0 1 FKAF CC(C)C=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356478535 HWRYKNYRSRPFPM-COZMUMMGSA-N 372.637 6.855 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356678110 SQZDQHJQQVBLCS-ZWXVMJCXSA-N 372.637 6.712 0 1 FKAF CCCCCCOc1cc(CCC(=O)C[C@@H](O)CCCCC)ccc1O 2356756653 ZQFFGHJYPOBVPT-IBGZPJMESA-N 364.526 5.184 0 1 FKAF Cc1ccc(Cc2c(-c3ccc(F)cc3)nc3ccc(Cl)cn23)cc1 61921041 BVDHGFKLSRXJHN-UHFFFAOYSA-N 350.824 5.693 0 3 FKAF COc1ccccc1-c1nccc2[nH]nc(-c3cccc(C(F)(F)F)c3)c12 205232234 VBLJIHYYJGYDNK-UHFFFAOYSA-N 369.346 5.319 0 3 FKAF O=C(O)CCCCCCCCN(C(=O)c1ccccc1)c1ccccc1 13727591 YTAUBUQBFILCNE-UHFFFAOYSA-N 353.462 5.149 0 1 FKAF CCN1CCC(c2ccccc2)=C(C(=O)OCCCC2CCCCC2)C1 13782842 NLUPTIOHWOOVNJ-UHFFFAOYSA-N 355.522 5.070 0 1 FKAF CCCN(CCC)C(=O)Cc1c(-c2ccccc2)[nH]c2c(F)cccc12 13833105 QYWRIIKNRDNSBG-UHFFFAOYSA-N 352.453 5.165 0 1 FKAF CCCCCc1cc2c(c(O)c1C(=O)OC)[C@@H]1CC(C)=CC[C@H]1C(C)(C)O2 14722866 GHQWHEOOZNZPEX-IAGOWNOFSA-N 372.505 5.522 0 1 FKAF biogenic Nc1ncnc2c1c(-c1cccc(Oc3ccccc3)c1)cn2C1CCCC1 26266757 OWDYYQABYMVBBC-UHFFFAOYSA-N 370.456 5.588 0 1 FKAF CCCCN(Cc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 26387019 AGYWMLJGOQMPDZ-UHFFFAOYSA-N 351.277 5.828 0 1 FKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc([C@H](C)[C@H](C)C3CCCC3)cc1OC2(C)C 26674063 USDMFBBEDJJVQK-XWDORNJCSA-N 368.561 6.933 0 1 FKAF CC(=O)OC/C=C(\C)c1cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)no1 27554498 ZWWDJMDTQWIGAN-OQLLNIDSSA-N 367.489 5.657 0 1 FKAF CCCc1ccc(-c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)cc1 36294584 SFMBDJJAQUAECW-NHCUHLMSSA-N 362.513 6.623 0 1 FKAF O=C(O)c1ccccc1Nc1ccc(CCCc2ccccc2Cl)cc1 40936350 RYMUCVITANYTGM-UHFFFAOYSA-N 365.860 5.957 0 1 FKAF CCCCCCO[C@@]12CCC[C@@H]1CC(CCCCCC)=C2c1ccccc1 71297122 CJUTVQJGXYPOBZ-RSXGOPAZSA-N 368.605 7.950 0 1 FKAF CC[C@@H](C)NC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1 84688617 GZBMFPCVMJIDLD-OAQYLSRUSA-N 365.520 6.520 0 1 FKAF COC(=O)[C@@]1(C)CC[C@@H]2C3=C1CC[C@@H](C)[C@]3(C)Cc1c2[nH]c2ccccc12 103268484 XPFSJOVNWXUTJG-BPVBZVLVSA-N 363.501 5.514 0 1 FKAF Clc1ccccc1-c1nncn1-c1ccc2nc(-c3ccccc3)oc2c1 103289232 KCLDAHUBHADWNT-UHFFFAOYSA-N 372.815 5.396 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2cccs2)C[C@H](c2ccco2)C1 103904975 LDZAMZUVOCMEHH-YEJXKQKISA-N 362.454 5.970 0 1 FKAF C[C@]12CC[C@H]3[C@@H](C[C@H]4C[C@@]45C[C@@H](O)CC[C@]35C)[C@@H]1CC=C2c1cccnc1 141896227 SGBMHXUDAZFBJG-FHOJFNDNSA-N 363.545 5.479 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccoc3)CCC[C@@]21C 169343670 NSUFSBQTTXIEDY-ZNCFPDGUSA-N 360.538 6.484 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@H]1CCC2=O 257435901 HKUKRSLIEVXDMS-XAISMOLKSA-N 374.480 5.331 0 1 FKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 587075924 OWITYIHEXIJJOK-UHFFFAOYSA-N 365.868 5.070 0 1 FKAF Cc1cc(Cl)cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587192797 DDBXANZUPWASLS-UHFFFAOYSA-N 361.876 5.732 0 1 FKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587195741 LRURZLDIDSZHFX-JTQLQIEISA-N 367.802 5.453 0 1 FKAF CCSc1ccc(-c2cc3c4c(cccc4n2)CC3)c(Cl)c1Cl 587217403 VTTGZYZGLIWGOF-UHFFFAOYSA-N 360.309 6.419 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(F)c1C(F)(F)F)CC2=O 587463068 VSAZJKAHFIUNEY-MRXNPFEDSA-N 368.326 5.209 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc3sc(C=O)cc3s1)CC2=O 587492757 BYFCYJUPPDBAIC-HNNXBMFYSA-N 372.467 5.140 0 1 FKAF CC(C)(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601750 GYARKPNOVRBPRT-NFBKMPQASA-N 374.436 5.393 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)Nc1ccc(Cl)cc1Cl 587623247 BHKGUFJHSQEYHX-UHFFFAOYSA-N 367.663 5.997 0 1 FKAF Cc1cc(Cl)cc2c(C(C)C)c(Cc3ccc(Cl)cc3Cl)[nH]c12 587623910 TVBOSUWHUHCMQZ-UHFFFAOYSA-N 366.719 7.151 0 1 FKAF Cc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)c(C)o1 587627715 AAPWNRQXKDLHPF-UHFFFAOYSA-N 359.706 5.582 0 1 FKAF CC(C)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587815123 YPNGPSPSSPPCBO-YJYMSZOUSA-N 362.286 5.022 0 1 FKAF CC(C)[C@@H]1CCC[C@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587819254 UUBRZRVRXCIPFV-PJIJBLCYSA-N 368.334 5.554 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(Cl)c3)nc3c2oc2ccccc23)c1 1772647348 APWBUNACJLRUNB-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF Cc1ccc([C@@H]2C[C@H](c3c[nH]c4ccccc34)N(c3ccccc3)O2)cc1 1857654933 ZKEDKZTXGASZFU-RPWUZVMVSA-N 354.453 6.101 0 1 FKAF CC[C@@H](C)CCCCCCCCCCCCCCCCC[C@@H](O)C(=O)O 2356386248 ALYIKYZHKASNGR-FGZHOGPDSA-N 370.618 7.110 0 1 FKAF CC(C)=C[C@H]1C[C@@](C)(C=Cc2cccc3c2NCC3)c2cc3[nH]ccc3cc21 2356468509 GKHRETADSMOCEN-HFZDXXHNSA-N 368.524 6.561 0 1 FKAF O=C(O)CCCCCCCCCCCC=C[C@H](O)C=C=CBr 2356751324 SDLIXPWBLXJLCF-TYJDENFWSA-N 373.331 5.343 0 1 FKAF COc1cccc(-c2nc(-c3cccc(C)c3)nc3cc(Cl)ccc23)c1 96018650 YZLRYFHFNHMJEC-UHFFFAOYSA-N 360.844 5.934 0 3 FKAF CC(C)NC(=O)c1c(-c2ccccc2F)noc1-c1ccc(C(C)C)cc1 775315 MGKNRVAZNDDPAO-UHFFFAOYSA-N 366.436 5.409 0 1 FKAF CCCCCCC(C)(CCCCCC)OC(=O)c1cnc(Cl)cn1 5973018 IROOJMADEFUTMU-UHFFFAOYSA-N 354.922 5.986 0 1 FKAF CS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)c(Cl)c3)CCC2)cc1 13744274 YEJIZZJWJVYPPH-UHFFFAOYSA-N 367.297 5.492 0 1 FKAF CCCCC[C@H](C)OC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C 27754538 SAZVVYBGNVECIB-KRWDZBQOSA-N 361.526 5.774 0 1 FKAF C[C@]12C[C@H](Cc3ccccc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 27987641 XTSABQISZJESNH-ILADSAPZSA-N 362.513 5.078 0 1 FKAF Oc1cc(CC2CCCCC2)ccc1Oc1ccc(Cl)cc1Cl 29061284 AUJNRGORQMIJCP-UHFFFAOYSA-N 351.273 6.614 0 1 FKAF in-vitro F[C@H]1c2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc2C[C@H]1F 36080428 PSRFKHITIJTTIS-NXEZZACHSA-N 357.109 5.103 0 1 FKAF CN(C)CCCN(C)Cc1ccccc1Sc1ccc2ccccc2c1 75373221 SORPIHFFHFCSIW-UHFFFAOYSA-N 364.558 5.375 0 1 FKAF CC(C)(C)c1ccc(-c2cc(NCc3ccc(F)c(F)c3)ncn2)cc1 82160978 MELUXXGYKKFJQP-UHFFFAOYSA-N 353.416 5.331 0 1 FKAF CCCCOC(=O)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 103230239 MHMJQCHCBPEFEA-CGTJXYLNSA-N 372.505 5.450 0 1 FKAF COCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)OC 238743005 LKUFKKPWSGIMCX-JLEJFLCFSA-N 350.543 5.391 0 1 FKAF CC[C@H](O)/C(C)=C/[C@H](C)[C@@H](O)/C(C)=C/C(C)=C/[C@H](C)/C=C/c1ccccc1 299812382 YLFWWEOWHPOZJW-HOVKTMMJSA-N 368.561 5.943 0 1 FKAF CCc1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 587015380 NRKQKGYPIFZQIP-UHFFFAOYSA-N 374.296 6.223 0 1 FKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccnc(Cl)c4[nH]3)c2)c1 587048986 FVOLGHOQBIVNNF-UHFFFAOYSA-N 368.223 5.411 0 1 FKAF CC(=O)C[C@@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587101969 XXWPDWVYPRJXLP-HNNXBMFYSA-N 355.437 5.154 0 1 FKAF Cc1cc(Cl)cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135395 YZAVUQLVMXEJGI-NSCUHMNNSA-N 358.697 5.391 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1ccc(F)cc1)O2 587384536 LUXRVPAPPBEQSD-NRFANRHFSA-N 363.388 5.215 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccc(C)cc3)on1)CC2=O 587483526 MQJDWWUMEVCUCU-OAQYLSRUSA-N 363.413 5.015 0 1 FKAF CSc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587507588 RGRGIAITKWPJHV-OAQYLSRUSA-N 356.462 5.307 0 1 FKAF O=C1C[C@]2(CCc3ccc4ccccc4c32)Oc2c1ccc1c2CCCC1 587526809 STFINKNSHYTTGY-VWLOTQADSA-N 354.449 5.526 0 1 FKAF CC[C@@]1(c2cccc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587814773 VNOITBCCCQDBLE-YJYMSZOUSA-N 362.286 5.084 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3ccccc23)N1 587819518 INHWMWRUXHPKCO-ODXCJYRJSA-N 370.265 5.365 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccccc3o2)N1 587828408 NHAOPBVGLXQTII-WLRWDXFRSA-N 374.253 5.132 0 1 FKAF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587841781 CKUHFVOFGPYZHY-VVVCHXIZSA-N 368.315 5.064 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(F)c1F 587864533 IXRCEUVWDGLVCH-UHFFFAOYSA-N 368.305 5.235 0 1 FKAF Cn1cccc1CN1CCc2sccc2[C@@]12C=C(c1ccccc1)CCC2 962398992 OWAIRDXOIWQIBK-XMMPIXPASA-N 374.553 5.608 0 1 FKAF CC(=O)CCCCCCCCCCCC[C@@H]1CC[C@H](OC(C)=O)[C@@H](C)N1 2356380588 LRKWDKCSHJWJST-FCEUIQTBSA-N 367.574 5.329 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CC[C@@]1(O)Oc2cc(O)ccc2C1=O 2356524979 RYTFXRQJSOROHC-HSZRJFAPSA-N 370.489 5.465 0 1 FKAF CC[C@@H]1Oc2c(-c3ccc(O)cc3)cnc(O)c2[C@@H]2[C@H](C)C[C@@H](C)C[C@@]12C 2356734250 ZUJBUMRATOLVJT-BBRHYOIPSA-N 367.489 5.487 0 1 FKAF O=C(SCCc1cccc(O)c1)SCc1ccc(Cl)cc1Cl 2382262099 MOLANFKXSXBWLR-UHFFFAOYSA-N 373.326 6.028 0 1 FKAF CC(C)c1ccc(O[C@@](C)(Cc2cccc(-c3ccccc3)c2)C(=O)O)cc1 13604823 DZGBPGWCJWQJAL-VWLOTQADSA-N 374.480 5.942 0 1 FKAF Clc1ccc(C2=CCC[C@@H](CN3CC=C(c4ccccc4)CC3)C2)cc1 13738849 ITANASSNEOXAJO-LJQANCHMSA-N 363.932 6.313 0 1 FKAF CC(=O)OC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CCC2=C[C@@H]1OC2=O 14445677 JRHSHBMAWLBQTD-AUGUNZAISA-N 360.494 5.043 0 1 FKAF CC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)c(Cl)cc3F)cn12 14961221 QYULVPZCMUBANS-UHFFFAOYSA-N 374.778 5.106 0 1 FKAF CCN(CC)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21 26579737 NIIGXDSCJHJWSY-HNAYVOBHSA-N 350.289 5.618 0 1 FKAF in-vivo Cc1ccc2nc(NCCNc3nc4ccc(C)cc4s3)sc2c1 28903393 HJBIIZWGMVMZTI-UHFFFAOYSA-N 354.504 5.047 0 1 FKAF CCN(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 33982715 WWHWWQFHTUKRJP-UHFFFAOYSA-N 351.490 5.892 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCOC(=O)NCC 38146706 CIXKMOKCEUDUJA-AIBIWWTJSA-N 361.570 6.878 0 1 FKAF Cc1cc(O)c2c(c1)OC(C)(C)C=C2C1=CCN(Cc2ccccc2)CC1 45192118 JGFUFQSXEHUHTN-UHFFFAOYSA-N 361.485 5.087 0 1 FKAF O=C(NCC1CCCCC1)c1ccc2cc(-c3n[nH]c4ccccc34)[nH]c2c1 66066054 FCAWWBYULLLTFE-UHFFFAOYSA-N 372.472 5.021 0 1 FKAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1C[C@@H](F)CN1C(=O)C1CCC1 72176200 BPICUEHAJGKYLS-XLIONFOSSA-N 372.871 5.122 0 1 FKAF c1ccc(CN(Cc2ccc(Oc3ccccc3)cc2)c2ccccc2)cc1 84731510 QRZBWLCYMBCNBZ-UHFFFAOYSA-N 365.476 6.686 0 1 FKAF O=C1C[C@H](c2ccc3oc(-c4ccc(O)cc4)cc3c2)Oc2cc(O)ccc21 85997838 FKAOXSDPCYTXNP-JOCHJYFZSA-N 372.376 5.218 0 1 FKAF biogenic CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C1 103277891 WJIMMYOQYYMXRX-UHFFFAOYSA-N 360.284 5.544 0 1 FKAF CC1=C2CC[C@H](C)[C@@H]2[C@@H](O)[C@@]2(C)CC[C@]3(C)CCC(C)(C)C[C@H]3[C@@H]2CC1 169638473 AKSFJIXKSLGFLQ-HZECCONOSA-N 358.610 6.753 0 1 FKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@@H](OC)c1cc(C)cc(C)c1 230840122 ZALUMISHQCEWOT-FQEVSTJZSA-N 371.864 5.351 0 1 FKAF CCO[C@@H](CC(=O)O)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 473107452 IXOREGUHTRYYFG-KRWDZBQOSA-N 369.244 5.125 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2)o1 586902868 HLYTZCLVCMAJTC-UHFFFAOYSA-N 354.312 5.120 0 1 FKAF FC(F)(F)c1cc(Br)cc2nc(-c3occ4c3CCC4)[nH]c12 586905282 JAJUWGCTMMDIAM-UHFFFAOYSA-N 371.156 5.093 0 1 FKAF CSc1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587163096 GZNNHJXJBBQPIP-LFIBNONCSA-N 366.486 6.074 0 1 FKAF O=C(Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)Oc1ccccc1 587214364 YMULLXZMXVAUGK-UHFFFAOYSA-N 366.420 5.611 0 1 FKAF COc1cccc(-c2cc([C@@H]3C[C@H]4CC[C@H]3C4)nc3c2oc2ccccc23)c1 587365729 OJURRUORRQLPRH-RIFZZMRRSA-N 369.464 6.560 0 1 FKAF COc1ccc2c(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)oc2c1 587531633 HHUWKVGFKXUUBN-OAQYLSRUSA-N 362.425 5.335 0 1 FKAF Cc1cccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c1 587534841 ZULUHBKXHKTPPZ-QHCPKHFHSA-N 358.437 5.840 0 1 FKAF CCOC(=O)c1c(-c2ccc(F)cc2F)[nH]c2ccc(F)c(Cl)c12 587629381 MZYMBKPMRBWCPL-UHFFFAOYSA-N 353.727 5.082 0 1 FKAF O=C(c1c(-c2ccc(OC(F)F)cc2)[nH]c2cccc(F)c12)C(F)(F)F 587633541 GDEXYKIRMPEASF-UHFFFAOYSA-N 373.252 5.320 0 1 FKAF CC[C@@H](C)c1ccc(NC(=O)c2c(C)[nH]c3ccc([C@H](C)CC)cc23)cc1 587642914 PXYAJIABPCRMNM-HZPDHXFCSA-N 362.517 6.756 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(F)=C(F)F)N1 587707424 VPKVXRJFFDPDSI-GLEZIHRCSA-N 366.196 5.195 0 1 FKAF C/C=C(\c1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821761 XNAPQPYFVBHXIL-WHTUFOJTSA-N 360.270 5.267 0 1 FKAF COc1cccc([C@H](C)Nc2cc(-c3ccc4[nH]ccc4c3)nc(C)n2)c1 653665403 UKLZYHFSKUVCHH-AWEZNQCLSA-N 358.445 5.115 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3Cl)c3c(n2)-c2ccccc2C3)cc1 653731298 XWTZBWPCXMNDML-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF CCC(C)(C)[C@@]1(c2ccccc2)c2cccc(Br)c2CCN1C 963281620 TUMUMIGVFBWPGX-OAQYLSRUSA-N 372.350 5.617 0 1 FKAF O=C1Nc2ccc(Nc3ccc(Cl)cc3)cc2[C@@H]1CC1CCCCC1 1857604172 MMSGXKLIORHAAI-IBGZPJMESA-N 354.881 6.090 0 1 FKAF Clc1ccc(NCc2cscc2CNc2ccc(Cl)cc2)cc1 1857607308 RHRGSKRRCHTKML-UHFFFAOYSA-N 363.313 6.279 0 1 FKAF CC1(C)CC(=O)[C@@H]2[C@H](C1)Oc1ccc3ccccc3c1[C@H]2c1ccc(O)cc1 1857640818 QUXMZOPORIRCGR-WMTXJRDZSA-N 372.464 5.444 0 1 FKAF O=C1/C(=C\c2ccc[nH]2)c2ccccc2N1c1c(Cl)cccc1Cl 1857755291 DWXAWYBKSOWACH-KAMYIIQDSA-N 355.224 5.540 0 1 FKAF CC(=O)N[C@@H](c1ccccc1)c1nc(-c2csc3ccccc23)cs1 61905958 WLMCYFNWFTXAEM-IBGZPJMESA-N 364.495 5.250 0 3 FKAF C=CSCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 3926366 JOULMFUYVRNSJC-YHDSQAASSA-N 356.531 5.254 0 1 FKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C=C=CCCCC(=O)O)cc1OC2(C)C 13557671 CCDFPCRJFJIHKU-PHTURFEGSA-N 368.473 5.426 0 1 FKAF CC(C)c1cc(Oc2c(Cl)cc(NCC(=O)O)cc2Cl)ccc1O 13602461 CTNFCDIJTMBRPS-UHFFFAOYSA-N 370.232 5.111 0 1 FKAF CO[C@@H]1CCCN(CCCCOc2ccccc2/C=C/c2ccccc2)C1 27716955 CYRVZFFNUKLYMJ-POICXBNUSA-N 365.517 5.127 0 1 FKAF CC(=O)c1c(O)cc(O)cc1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C 64516526 XRLZHLYONCGDLT-VZRGJMDUSA-N 372.505 6.098 0 1 FKAF COc1ccccc1Oc1cc(NCc2cccc3ccccc23)ncn1 82067795 LKDJOWOZKZUDPZ-UHFFFAOYSA-N 357.413 5.043 0 1 FKAF c1ccc(-c2cnc(-c3cnc(NCC4CC4)nc3-c3ccco3)s2)cc1 82165564 CEGCQJSRYUEELD-UHFFFAOYSA-N 374.469 5.349 0 1 FKAF CC[C@@H](C)Cn1c(-c2ccoc2)nc2c(NC3CCCCCC3)ncnc21 82190659 PLQCKFWCVKGNGW-OAHLLOKOSA-N 367.497 5.267 0 1 FKAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(Cl)c1C 96283508 NOHNIZSVZHKRNO-UHFFFAOYSA-N 373.887 6.126 0 1 FKAF CC1=Nc2nc3ccccc3n2[C@@H](c2ccc(C)o2)/C1=C(\O)c1ccccc1 104052220 FSIIPUKDEIUSQA-AGGMBTAESA-N 369.424 5.602 0 1 FKAF O=C(O)c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1ccsc12 167762046 QSHOMSCEGYULCE-UHFFFAOYSA-N 356.353 5.170 0 1 FKAF O=C1CCc2cc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2N1 169353104 GLVSGKFBISSZRU-UHFFFAOYSA-N 374.284 5.353 0 1 FKAF Cc1ccc(C2=Cc3ccccc3[C@H]3N(C)C(=O)c4ccccc4N23)cc1 198949222 QLUFFPZGOHKVCU-QHCPKHFHSA-N 352.437 5.098 0 1 FKAF COc1cc2nc(C)c(-c3cc4ccccc4s3)c(O)c2cc1Cl 299829413 UMWMSXAJRKQTEL-UHFFFAOYSA-N 355.846 5.793 0 1 FKAF COc1c(C)cc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CC[C@@H](C)CC1 299868316 ZVABXXHXRVMFOZ-DHFPXDALSA-N 355.453 5.118 0 1 FKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 586894028 XNCXMSQYXGVXSX-UZUQRXQVSA-N 372.468 5.287 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586963588 OUKVBKBUQNCRQJ-SNVBAGLBSA-N 354.372 5.715 0 1 FKAF COc1cccc(F)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586994690 CDEVLMUCNGXGKE-UHFFFAOYSA-N 369.395 5.569 0 1 FKAF Cc1ccc2c3c(cc(-c4coc5ccccc45)nc13)-c1ccccc1C2=O 587102547 XEZDUFYJEJZAQZ-UHFFFAOYSA-N 361.400 6.168 0 1 FKAF FC(F)Oc1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1 587130127 FHWZITXRDPJMRD-UHFFFAOYSA-N 352.340 5.624 0 1 FKAF Cc1ccc(NC2(c3nc4cc(Cl)c(Cl)nc4[nH]3)CCCC2)cc1 587236576 ARCZSULIQIFZEA-UHFFFAOYSA-N 361.276 5.455 0 1 FKAF O=C1C[C@]2(CCc3c2ccc(Cl)c3Cl)Oc2c1ccc1c2CCCC1 587499766 MYNJHBGDVMAAHE-NRFANRHFSA-N 373.279 5.679 0 1 FKAF O=C1C[C@H](c2cc(F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587504623 FRBHYLGEOKDJNL-GOSISDBHSA-N 364.338 5.430 0 1 FKAF CC(C)CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520470 CDLOJFLHCRGJSZ-QHCPKHFHSA-N 364.485 5.697 0 1 FKAF O=C1C[C@H](c2c[nH]c3c4c(ccc23)CCC4)Oc2c1ccc1c2CCCC1 587522377 FQGZTKNJMLBURB-JOCHJYFZSA-N 357.453 5.242 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(Br)ccc3F)c(C)c2c1 587642618 OXGOBXSYRKKQKZ-NSHDSACASA-N 360.270 6.558 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cl)c2F)N1 587725008 BADKURZXGBNUEO-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C)CCCCCC2)N1 587821960 YXOKSGASFKTFCR-SJKOYZFVSA-N 354.307 5.524 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccncc1Cl 587854453 FMYRAGIGAJUVOE-UHFFFAOYSA-N 368.651 5.293 0 1 FKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc([C@@H]3CCCO3)n2)cc1 587923516 URTXSEIDFNNNGG-SFHVURJKSA-N 364.445 5.949 0 1 FKAF COc1ccccc1Oc1c(Cl)cccc1-n1c(OC)cc(C)c1OC 587942421 YNLRKYJFOTWUNN-UHFFFAOYSA-N 373.836 5.257 0 1 FKAF c1ccc(Oc2ccccc2Cc2nc3ccc4ncccc4c3[nH]2)cc1 587949661 KHKZIMKPHMAKIP-UHFFFAOYSA-N 351.409 5.494 0 1 FKAF O=C1CCC(c2ccccc2)(c2nc3cc(Cl)cc(Cl)c3[nH]2)CC1 587970519 JJUBVQPYJJUXHV-UHFFFAOYSA-N 359.256 5.299 0 1 FKAF CCCCOc1ccc([C@@H]2c3cc(OC)ccc3CCN2C(C)C)cc1 962085909 BBIMYQLFBFWVFA-HSZRJFAPSA-N 353.506 5.230 0 1 FKAF COc1ccc(-c2cc3cc(C)ccc3c(-c3ccc(O)cc3)n2)cc1OC 1857765810 AGURHLBOCOTEKD-UHFFFAOYSA-N 371.436 5.600 0 1 FKAF C[C@@H]1C[C@@H](C(=O)Nc2nc3cc(C(F)(F)F)ccc3s2)CC(C)(C)C1 1857767236 FJBMFFFOSCWZTA-GHMZBOCLSA-N 370.440 5.716 0 1 FKAF CC(=O)O[C@@H]1C[C@]2(O)[C@H]([C@@H]1C)[C@@H]1[C@H](C(C)=CCCC(C)(C)C)CC[C@@]12C 2356696483 BJMNBTCOSIQTLE-MSFQIWJQSA-N 362.554 5.124 0 1 FKAF CC1=C2C[C@]3(C(=O)O)CC[C@H](C(C)C)[C@@H]3C[C@@H]2[C@]23CC[C@H](C)[C@H]2CC[C@]13C 2356704556 XXBPHKHKRDOYCF-LKALIYMESA-N 370.577 6.312 0 1 FKAF Cc1ccc(-c2cc(C(=O)Nc3ccccn3)c3ccccc3n2)cc1C 5935832 CPJMRUWMBODDDI-UHFFFAOYSA-N 353.425 5.166 0 1 FKAF CC(C)=CCC/C(C)=C/CCC(=O)N1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1 13756372 NFBITTUBOCRWPW-IMGQQDLPSA-N 373.581 5.415 0 1 FKAF O=C(O)CCCc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 26575830 DAJCBFGERJQQGU-UHFFFAOYSA-N 359.425 5.013 0 1 FKAF C=C(c1cccc(O)c1C(=O)O)c1c(O)cccc1[C@H](CCCCC)OC 28825669 UVSNEQITOWUQSW-IBGZPJMESA-N 370.445 5.125 0 1 FKAF O[C@@H]1Cc2ccc3ccccc3c2N[C@H](c2ccc(Br)cc2)C1 40423606 KRQGJXKLVDVMAM-MJGOQNOKSA-N 368.274 5.063 0 1 FKAF Cc1ccc(Oc2cccc(COc3ccc(CCC(=O)O)cc3)c2)cc1 66114140 YGTXIDYNUWGONS-UHFFFAOYSA-N 362.425 5.384 0 1 FKAF O=NN1[C@@H](c2ccccc2)CC(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 72171800 FBRWNHRLJWXKFA-MZYLBHOOSA-N 356.425 5.209 0 1 FKAF Clc1nn2c(-c3cccc(Oc4ccccc4)c3)nnc2c2ccccc12 82060477 BFHRJMAEJAGQRV-UHFFFAOYSA-N 372.815 5.390 0 1 FKAF O=C(Nc1cccc(Cl)c1)Nc1cc(CC2CC2)nn1-c1ccccc1 96273849 JKYYHANCMQDUCZ-UHFFFAOYSA-N 366.852 5.122 0 1 FKAF CC1(C)[C@H]2C[C@H]1CC[C@@H]2CNc1cc(Oc2cccc3cccnc23)ncn1 104930628 ISRLNFDIDBSOMI-KURKYZTESA-N 374.488 5.301 0 1 FKAF Cc1ccc2c(c1)nc(C)n2[C@H]1CC[C@@H](NCC2Cc3ccccc3C2)CC1 299845272 XQGMWWQPAFPQSB-ZRZAMGCNSA-N 373.544 5.141 0 1 FKAF CCOc1c(-c2ccc(O)cc2)ccc(-c2ccc(O)cc2)c1OCC 299852129 NVUUYYFROOEGBY-UHFFFAOYSA-N 350.414 5.229 0 1 FKAF CC/C=C\CCOC(=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097033 NSWLKAHSEPKCHK-PLNGDYQASA-N 371.436 5.268 0 1 FKAF COc1cc2c(cc1F)-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587102967 BVBUQARJHFMPIR-UHFFFAOYSA-N 367.379 5.165 0 1 FKAF COc1cccc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c12 587145129 INYNACGORNHADA-UHFFFAOYSA-N 366.823 6.006 0 1 FKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 587242615 VTFRQMKZKGWLIZ-UHFFFAOYSA-N 361.489 5.483 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CC(=O)[C@@H]3C2)c1 587366252 KGAKMZQNYBBPPS-CJNGLKHVSA-N 355.393 5.200 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(/C=C\c3ccccc3)cc1)O2 587406452 RBTUGHOZYHMYIM-YLNCNTMDSA-N 355.437 5.454 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3nccc(Cl)c3s1)CC2=O 587495928 QLQRWFXUYQIXEJ-MRXNPFEDSA-N 373.861 5.314 0 1 FKAF O=C1C[C@@H](c2ccc(N3CCCC3)c(F)c2)Oc2c1ccc1c2CCCC1 587506030 NTVVLBCRNBBERC-QFIPXVFZSA-N 365.448 5.011 0 1 FKAF CCn1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515112 JJAFKDYKROLUCV-XMMPIXPASA-N 359.469 5.421 0 1 FKAF CC(C)C[C@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587520904 CIOHKOGYSQLBET-RUZDIDTESA-N 362.513 5.948 0 1 FKAF CCCCCCC1(CCCCCC)CC(=O)c2ccc3c(c2O1)CCCC3 587525886 SNCGSWBXPSERPA-UHFFFAOYSA-N 370.577 7.210 0 1 FKAF Cc1cc(C(=O)c2c(C(F)(F)F)[nH]c3c(C)cc(Cl)cc23)c(C)o1 587625009 YUCKFVPZQFASPU-UHFFFAOYSA-N 355.743 5.589 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C)CC(C)(C)C2)N1 587819372 HPBFTPNUGVICTJ-LBPRGKRZSA-N 368.334 5.554 0 1 FKAF Fc1ccc(-c2csc(-c3ccc(Br)cc3F)n2)cc1 587922818 XEWRHDUDTJUWPD-UHFFFAOYSA-N 352.203 5.518 0 1 FKAF CCc1ccc(C(=O)CCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587957408 ZKOIVJPLFSEYME-UHFFFAOYSA-N 370.452 5.733 0 1 FKAF c1ccc(-c2cccc3c2[C@]2(C[C@H]4CCCc5cccc2c54)NCC3)cc1 962674560 YAPCYBSONCKSNL-QFQXNSOFSA-N 351.493 5.567 0 1 FKAF C/C(=C\c1ccc(-c2ccccc2)cc1)CN(C)Cc1ccc2c(c1)CCO2 1772641141 XYFMYTBNXDSNEQ-CAPFRKAQSA-N 369.508 5.824 0 1 FKAF CC1CCN(c2cc(-c3ccccc3)c3nc(-c4ccccc4)cn3c2)CC1 1857651582 ZMLDNJNPCKLPTJ-UHFFFAOYSA-N 367.496 5.905 0 1 FKAF COC(=O)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)OC 2356643760 DWAPBSKEYARVMF-UHFFFAOYSA-N 362.510 5.458 0 1 FKAF CC=C(C)C(=O)O[C@@H]1CC=C(C)CC[C@@H](C(C)C)[C@H](OC(C)=O)C=C1C 2356663968 BNIDKQNFOZHCRT-PWRODBHTSA-N 362.510 5.145 0 1 FKAF C[C@@]1([C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)CCC(=O)O1 13132456 KYUZKRJIOGSDGT-LURFLNFASA-N 372.549 5.022 0 3 FKAF aggregator CCc1cc(Nc2cc(Oc3ccc(Cl)cc3)nc(N)n2)ccc1C 591163 BJDBRJLUWRJLLK-UHFFFAOYSA-N 354.841 5.119 0 1 FKAF CCc1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2)CCCC1 1889464 LTPXLYHQNFPPCX-UHFFFAOYSA-N 364.533 6.006 0 1 FKAF CCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1 2481018 MFYXSGUFBAEHGY-UHFFFAOYSA-N 354.837 5.192 0 1 FKAF CCCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 13437762 SGSPDHQGPCJISU-MRXNPFEDSA-N 357.513 6.530 0 1 FKAF O=c1[nH]c2sc(Cl)cc2c(O)c1-c1cccc(Oc2ccccc2)c1 13680052 HNZIGPPIWHUECJ-UHFFFAOYSA-N 369.829 5.408 0 1 FKAF C[C@H]1CCN(c2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)C1 13835111 XYFVVVNJTQLXTL-INIZCTEOSA-N 368.908 5.169 0 1 FKAF C[C@@H]1CC[C@H]2C(C)(C)CCC[C@@]2(C)C1=Cc1cc(O)c(O)c(C=O)c1O 14709984 VGSQRECMCPQJNS-JCHSIQAQSA-N 358.478 5.262 0 1 FKAF biogenic CN(C)CCN(C)c1cc(-c2ccc3ccccc3c2)nc2ccccc12 29486800 NOWGHVASSUUWTH-UHFFFAOYSA-N 355.485 5.053 0 1 FKAF Cc1cccc(N2C(=S)CS[C@@H]2c2c(Cl)cccc2Cl)n1 32071533 HIOXNQTWOAFZIN-OAHLLOKOSA-N 355.315 5.276 0 1 FKAF CCCCc1cnc([C@H](C)Cc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1 49070607 BPBYYDCGWLCZRK-MRXNPFEDSA-N 362.473 5.464 0 1 FKAF CC(C)CCc1ccc2c(NCCCNCc3ccco3)ccnc2c1 72126066 CEIUXSWKQWIJOX-UHFFFAOYSA-N 351.494 5.008 0 1 FKAF Cc1[nH]c2ccccc2c1[C@H](Nc1ccccc1)c1ccc(CCCO)cc1 84671674 KAOODWWVZHYMNZ-RUZDIDTESA-N 370.496 5.603 0 1 FKAF COc1ccc([C@](C[C@H](F)CN)(c2ccccc2)c2ccc(C)cc2)cc1 95581218 CHQFZSXWIXTJPN-LADGPHEKSA-N 363.476 5.025 0 1 FKAF Nc1sc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1 103144125 RJMIVPWMKYKHBY-UHFFFAOYSA-N 368.889 5.210 0 1 FKAF Cc1ccc(C2=NO[C@H](c3c[nH]c4ccccc34)[C@@H]2CN2CCCCC2)cc1 103289245 MHYREROENGKCHO-ZJSXRUAMSA-N 373.500 5.054 0 1 FKAF CCCCCC[C@@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118920088 SUFKNLCDOHRDMW-ZMTPGRRHSA-N 374.609 6.300 0 1 FKAF Cc1ccc(O[C@@H](C)c2nnc(Nc3ccc(Br)cc3)o2)cc1 169702782 MELHZLFWWQZYCN-LBPRGKRZSA-N 374.238 5.024 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(F)c(C)cc4[nH]3)cc2)CC1 586879137 FHRPHXQIPVGNDA-IYARVYRRSA-N 364.508 7.141 0 1 FKAF Oc1ccc(C2(c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)CC2)cc1 586896780 XXQJCDGJLJGTEC-UHFFFAOYSA-N 352.743 5.021 0 1 FKAF O=C1c2ccccc2-c2cc(C[C@@H]3C[C@H]4CC[C@H]3C4)nc3ccc(O)c1c23 586991180 LNEUQBOFZWEXNV-KKUMJFAQSA-N 355.437 5.131 0 1 FKAF CCc1ccc2c(c1)Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991426 UTPPZFQBLVYMNI-UHFFFAOYSA-N 363.416 5.285 0 1 FKAF COc1cc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2cc1F 587067028 YMWGTSMPMVLMLB-UHFFFAOYSA-N 355.800 5.130 0 1 FKAF COc1ccccc1-c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587098812 UUUZGBWBWYYYSL-UHFFFAOYSA-N 365.432 5.739 0 1 FKAF CC[C@@H](C)[C@@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100373 ICBWRHHNFOIZST-ZBFHGGJFSA-N 355.481 6.221 0 1 FKAF COc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1F 587104468 VXYAPIUWZOXGFQ-UHFFFAOYSA-N 355.368 5.261 0 1 FKAF Cc1cncc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 587141399 QLRISCXYZUXRID-UHFFFAOYSA-N 367.424 5.504 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 587162471 BNIFHYZIBSSSEN-UHFFFAOYSA-N 362.351 6.116 0 1 FKAF Cc1ccc(C)c2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc12 587189928 FHXOSOXBMNRELH-IBGZPJMESA-N 365.477 5.136 0 1 FKAF CC[C@@H](C)[C@@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208716 YQIVHZIVJNNVEO-ACJLOTCBSA-N 355.437 5.091 0 1 FKAF Cc1cc(Cl)cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 587233181 JWTPGPVDAUJBBA-ZIAGYGMSSA-N 363.889 5.076 0 1 FKAF COc1cc2c3c(c1)OC(c1ccc(C)cc1)(c1ccc(C)cc1)[C@@H](C2)C3=O 587445181 IQLXRIFUPHEZTN-NRFANRHFSA-N 370.448 5.003 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3O)cc1)CC2=O 587491351 UFGZNONSXKCITA-QHCPKHFHSA-N 374.436 5.424 0 1 FKAF CCC[C@@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602378 JRNLPJLLGLPIEA-OFNKIYASSA-N 366.457 5.473 0 1 FKAF Cc1ccccc1/C=C/[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587819719 MSXDAAOGIYABCW-KITVMDKVSA-N 360.270 5.185 0 1 FKAF C[C@@H](CC1CCCCC1)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820016 NQIUDEHVMUWAJY-XEKQOVJPSA-N 368.334 5.770 0 1 FKAF Cc1ccc(/C=C/[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587821936 YWUNRMJCQUNNHL-RCUKCDDKSA-N 360.270 5.185 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2cccs2)N1 587853714 QZXYRCNJUHRQIF-JEJHASCQSA-N 366.299 5.113 0 1 FKAF Cc1ccc(-c2csc(C[C@H](C)n3ccc(C(F)(F)F)n3)n2)cc1C 587920868 OBSJLNUXGGTVJC-ZDUSSCGKSA-N 365.424 5.446 0 1 FKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc([C@@H]3CCOC3)n2)cc1 587922922 ICQVSHWMNGPFGU-CQSZACIVSA-N 364.445 5.601 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(Br)c(C)c2[nH]1 587950626 NFHBSRYKTOIZHS-FFSVYQOJSA-N 365.315 5.680 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCCCC(=O)OCC)C1CCC1 963231353 QMSPEBXRXCCACS-NTKDMRAZSA-N 371.565 5.462 0 1 FKAF Cc1nc(-c2ccc(F)cc2)oc1-c1csc(-c2cccc(Cl)c2)n1 1772584569 UXBBNHWKXMWMRC-UHFFFAOYSA-N 370.836 6.233 0 1 FKAF CN(CCCc1ccc(-c2ccccc2)cc1)Cc1cccc2cc[nH]c12 1772607283 PJNZZLUDRQZBBO-UHFFFAOYSA-N 354.497 5.900 0 1 FKAF Brc1cc(NCc2cccc3sccc23)c2cn[nH]c2c1 1857559430 HWQREHUBXVBGNL-UHFFFAOYSA-N 358.264 5.152 0 1 FKAF C[C@]12CC[C@@H]3c4cc(-c5cccc(F)c5)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 1857639129 WFOOETXUFJQZHY-YDNKQOOJSA-N 366.476 5.415 0 1 FKAF CC(=O)OC[C@H](O)[C@](C)(O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 2356669046 LKUWCXZFCSWEPD-YUVXSKOASA-N 372.590 5.101 0 1 FKAF COC(=O)C(C)=CCCC(C)=CCC[C@@]1(C)CCc2c(C)cc(O)cc2O1 2356672916 BPXVQJXAZDTYFP-QHCPKHFHSA-N 372.505 5.410 0 1 FKAF CC1=C[C@@H](C)[C@H]2C(C)=C[C@](C)(C=CC=Cc3ccccc3)[C@](C)(C(=O)O)[C@H]12 2356705950 KNDMYWMVTUEPLZ-NAUYEFAASA-N 362.513 6.142 0 1 FKAF CCCCCn1c(-c2ccccc2)nc2c(NCc3ccccc3)ccnc21 2382228996 ROGJFGQDSRBAMG-UHFFFAOYSA-N 370.500 5.901 0 1 FKAF CCc1c(-c2cccc(OC)c2)ncn1Cc1cccc(-c2ccccc2)c1 95566131 SHXJMVIDQRPTTH-UHFFFAOYSA-N 368.480 5.836 0 3 FKAF FC(F)(F)c1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1 962454 CCNPKTIRRDCKKP-UHFFFAOYSA-N 359.395 5.765 0 1 FKAF CC[C@]12CCCN(Cc3ccccc3)[C@@H]1c1c(n(C)c3ccccc13)CC2 5549407 AYTQCCBUFYJHMJ-JWQCQUIFSA-N 358.529 5.858 0 1 FKAF COC(=O)C[C@@H](CCCCCCCCCCCCC(C)C)OC(C)=O 5715645 ZKWLTUFZOPIFMI-HXUWFJFHSA-N 356.547 5.818 0 1 FKAF biogenic COc1ccc([C@H]2C[C@H](c3ccccc3)Oc3ccc(C(C)(C)C)cc32)cc1 13829954 HMQOODPDZMLNMI-RCZVLFRGSA-N 372.508 6.648 0 1 FKAF CCCC(=O)c1cnc2c(C)cccc2c1Nc1cc(OC)ccc1OC 26665091 ULWOXMFJDIWLJE-UHFFFAOYSA-N 364.445 5.287 0 1 FKAF Cc1cccc2c([C@@H](O)[C@@H]3CCCCN3)cc(-c3ccc(Cl)cc3)nc12 27524200 PCDPGQIUKYMHHO-SIKLNZKXSA-N 366.892 5.039 0 1 FKAF Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4sncc34)cc2)c1 63298247 KHOVFNRAIYTEPO-UHFFFAOYSA-N 373.481 6.224 0 1 FKAF CC[C@@H](C)Nc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2C)n1 82177590 JOCXYQCULHZJDN-CYBMUJFWSA-N 352.507 5.403 0 1 FKAF Oc1cccc(-c2cc(-c3cccnc3)nc(-c3ccccc3Cl)c2)c1 95554951 HPVXSMSYGQCRGU-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF C[C@H]1[C@@H]2Cc3ccc(Br)cc3[C@]1(C)CCN2Cc1ccccc1 100719913 RFIKUGPYXNCFAU-ONGXBYRLSA-N 370.334 5.174 0 1 FKAF CC[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C 255285692 YWASHUVXUAAFLL-NFUGUOEKSA-N 372.637 6.855 0 1 FKAF CC(C)C[C@@H]1CN2C(=NC[C@H]2C2CCCCC2)N1CC[C@@H]1C[C@H]2CC[C@H]1C2 261167811 SGIBUXSDRUUCRC-CFNVJGFXSA-N 371.613 5.164 0 1 FKAF Cc1cc(F)c2[nH]c(-c3cccc(OCc4csc(C)n4)c3)nc2c1 587020038 CWBRVGQVEPKVOL-UHFFFAOYSA-N 353.422 5.021 0 1 FKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(Cl)nc4[nH]3)c2)c1 587050515 RHAAKRBJTDFDDJ-UHFFFAOYSA-N 368.223 5.411 0 1 FKAF Nc1ccnc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc12 587060129 APRCUXCKLJXQOF-UHFFFAOYSA-N 371.831 5.076 0 1 FKAF CC(C)(C)c1cccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587083715 HTBJQYFIQNIGPL-UHFFFAOYSA-N 361.876 6.243 0 1 FKAF Cc1ccc2c3c(cc(-c4c[nH]c5ccncc45)nc13)-c1ccccc1C2=O 587096092 GMLVZGOSKQUALK-UHFFFAOYSA-N 361.404 5.298 0 1 FKAF CC(C)Oc1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587132749 GQEYKCSFVHHMQQ-UHFFFAOYSA-N 367.207 5.027 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1F 587151780 ITOSIXSURQFJOL-MNOVXSKESA-N 370.346 5.724 0 1 FKAF Cc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1Cl 587192765 CBQYFUIHIHSIAK-UHFFFAOYSA-N 361.876 5.732 0 1 FKAF C[C@@H](CCCC(C)(C)O)c1cnc2cccc3c2c1-c1ccccc1C3=O 587206425 KSAGARUITNJMFY-HNNXBMFYSA-N 359.469 5.491 0 1 FKAF COc1cccc(-c2cc(-c3cc(C)nn3C)nc3c2oc2ccccc23)c1 587364582 XWBATNPGBGRSFI-UHFFFAOYSA-N 369.424 5.366 0 1 FKAF O=C1C[C@@H](c2ccc(-c3cccc(F)c3)cc2)Oc2c1ccc1c2CCCC1 587500461 CBJOGDZZJAOURW-DEOSSOPVSA-N 372.439 6.078 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccc(Cl)cc3)c(-c3ccccn3)[nH]c12 587624314 KTVQPAUCJFRKQE-UHFFFAOYSA-N 353.252 6.512 0 1 FKAF CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2ccc(F)c(Cl)c12 587628042 GSISCDSZEHHFIP-UHFFFAOYSA-N 352.192 5.458 0 1 FKAF CCCCC/C=C\CC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821601 WEUAFPXHCVELSO-SAWFYUKISA-N 368.334 6.080 0 1 FKAF CCCC[C@H](CC)C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821738 XHTHZVBCJUJFSX-DVOMOZLQSA-N 356.323 5.770 0 1 FKAF CC(C)C1CCC([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587822663 LVVXXSKESNKVFL-HKWLTPLLSA-N 368.334 5.626 0 1 FKAF CC(C)=CCC/C(C)=C\c1nc2cccc(I)c2[nH]1 587969175 WCHFDZSWQRWKHC-BENRWUELSA-N 366.246 5.317 0 1 FKAF CC(C)(C)SC(=O)C[C@]1(C)NCCc2cc(-c3ccccc3)ccc21 962669040 ZTYAXSWGLDHQLD-QFIPXVFZSA-N 353.531 5.163 0 1 FKAF Fc1ccc([C@@]2([C@H]3NCCc4cccc(-c5ccccc5)c43)CCOC2)cc1 962670484 RLRBPTWGCCTIMK-LOSJGSFVSA-N 373.471 5.038 0 1 FKAF Cc1ccc(-c2ccc(C(=O)Nc3nc4ccc(F)cc4s3)o2)cc1 1857574303 CUCNBWASSZITNW-UHFFFAOYSA-N 352.390 5.256 0 1 FKAF Cc1c([C@H](c2ccc(Cl)cc2)c2cc3ccccc3o2)[nH]c2ccccc12 2382218362 QUIIHHQBXKAACM-HSZRJFAPSA-N 371.867 7.056 0 1 FKAF COc1ccc(-c2oc3ccccc3c2C(=O)OCc2ccccc2)cc1 15934073 ZTHFYDGBDMYKAJ-UHFFFAOYSA-N 358.393 5.465 0 3 FKAF c1ccc(C2(c3ccccc3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 1564562 OYQBCSBMSFBKPF-IZZNHLLZSA-N 360.480 5.399 0 1 FKAF C[C@H](NC(=O)Nc1cccc2ccc(O)cc12)c1ccc(C(F)(F)F)cc1 13589061 JFLNNQPNHPXWJL-LBPRGKRZSA-N 374.362 5.447 0 1 FKAF O=C(O)C[C@H](c1ccccc1)c1ccc(OCCCC(F)(F)F)cc1 14978836 QJIXDCHIRMADMB-QGZVFWFLSA-N 352.352 5.015 0 1 FKAF FC(F)(F)c1cc(Cl)c(-n2cc(C3CCCCC3)nn2)c(Cl)c1 28825630 GVROTPJHPVHTKV-UHFFFAOYSA-N 364.198 5.641 0 1 FKAF S=C(Nc1ccc(Cl)cc1)c1ccccc1OCc1ccncc1 29046479 AWRPHLVGPBLITK-UHFFFAOYSA-N 354.862 5.102 0 1 FKAF CCCCCCN(CCCCCC)C(=O)c1cc(-c2ccc(C)cc2)no1 72119625 KLZUZKCYWKFCBX-UHFFFAOYSA-N 370.537 6.253 0 1 FKAF Cc1cccc(-c2nc(NCc3ccccc3)ncc2-c2ncc(C)o2)c1 82173732 RQINHMFNLMEGBB-UHFFFAOYSA-N 356.429 5.028 0 1 FKAF CCCCn1c(=S)[nH]c2c(c1=N)[C@@H](c1ccccc1)C1=C(CCCC1)N2 103164516 AQXSYPKTWVKWBE-KRWDZBQOSA-N 366.534 5.211 0 1 FKAF NC1(c2ccc(-c3nc4ccc(F)cn4c3-c3ccccc3)cc2)CCC1 199433400 QBHGSIJMOROVHB-UHFFFAOYSA-N 357.432 5.145 0 1 FKAF CC(C)(C)C1=NN(c2ccc(Br)cc2)[C@H](c2ccc(O)cc2)C1 299828454 JLKIPRKJCPFBNC-KRWDZBQOSA-N 373.294 5.508 0 1 FKAF Cc1ccccc1-c1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)o1 299839870 TWDDFLNPIBQEIT-UHFFFAOYSA-N 355.397 5.377 0 1 FKAF CCc1ccc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2c1 586882549 XRSDHYSXESNIAK-UHFFFAOYSA-N 354.453 5.640 0 1 FKAF CCCCCOc1cc2nc([C@@H]3C[C@@]3(C)CC)[nH]c2cc1Br 586890868 PMERZYSNVFNMSR-KPZWWZAWSA-N 365.315 5.798 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(N)cc4Cl)nc13)-c1ccccc1C2=O 586993726 QCHBHWICSXEWNS-UHFFFAOYSA-N 370.839 5.657 0 1 FKAF Brc1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)o1 587006491 LMTAYVOZKRVDLJ-UHFFFAOYSA-N 369.218 5.164 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(Cl)c(C)c2[nH]1 587010761 BAKSSPXDJSIHRC-UHFFFAOYSA-N 353.878 5.547 0 1 FKAF Cc1nccc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 587040453 MRKBUNOUPSZAGH-UHFFFAOYSA-N 358.470 5.112 0 1 FKAF CC(C)Oc1ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 587068976 HBSUAIFUCPQKOA-CYBMUJFWSA-N 356.853 5.380 0 1 FKAF Cc1ccc(/C=C\c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1F 587146710 TWRXWJKGWYXMEK-XFXZXTDPSA-N 358.416 5.760 0 1 FKAF Oc1c(Cl)cc(Br)cc1-c1cc2c3c(cccc3n1)CC2 587208170 NFKLFJNPLHVJTH-UHFFFAOYSA-N 360.638 5.122 0 1 FKAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587233237 KQJLKKKMTLMGEV-LSDHHAIUSA-N 357.498 5.021 0 1 FKAF CC(C)[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587356005 XSKGVQPYZFLDEJ-XORNHQRDSA-N 368.448 5.475 0 1 FKAF CC1(C)Cc2ccc(Cl)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587504458 WNAUXFBKBZVSDJ-QHCPKHFHSA-N 366.888 5.662 0 1 FKAF Cc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 587520670 BEJNLEXCIWNPAF-VWLOTQADSA-N 356.465 5.908 0 1 FKAF CC(C)(C)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521587 INWODONZJWKDIG-NRFANRHFSA-N 350.458 5.449 0 1 FKAF CCc1ccc2oc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587532249 KBFGASSCZRJOHV-XMMPIXPASA-N 360.453 5.755 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2s1 587616937 HOALULSXQBSQQS-UGKGYDQZSA-N 374.417 5.310 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1N1C(=O)c2ccccc2N/C1=C/Cl 587623762 ORUROYWSAUJSRO-SXGWCWSVSA-N 372.255 5.548 0 1 FKAF CCCCC[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812801 KTGBQIMDLNWZPU-DJJJIMSYSA-N 370.350 5.944 0 1 FKAF C=C(c1ccccn1)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587859503 XCNUJTCACXEMOA-UHFFFAOYSA-N 360.244 5.170 0 1 FKAF CC/C(=C/c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(C)cc1 587965627 CFRNJYQNUXTDDR-NTMALXAHSA-N 366.774 5.236 0 1 FKAF CC[C@@H]1Cc2ccccc2[C@@]12c1ccsc1CCN2Cc1cccnc1 962991762 FHQQRJHKYQGJDQ-AUSIDOKSSA-N 360.526 5.027 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)Cc1ccc(C(F)(F)F)cc1 963225605 FMMTWPPVKFYBHC-IIBYNOLFSA-N 361.451 5.820 0 1 FKAF CN(CCCc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)CCO2 1772623217 XJEZIODYRPBGQB-UHFFFAOYSA-N 357.497 5.353 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1cnn(CC)c1-2 1857543302 GIVZCECIJUOSNF-UHFFFAOYSA-N 370.537 6.151 0 1 FKAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(F)CC[C@]4(C)[C@H]3CC[C@]12C 1857588674 PTVLPBXSTDPINX-ZEQQQVMLSA-N 373.556 5.943 0 1 FKAF CC(=O)Oc1cc2c(cc1O)O[C@]13CCCC(C)(C)[C@@H]1CC[C@H](C)[C@@]3(C)C2 2356863660 VHLWWGUJUDALRY-VKXSIESHSA-N 372.505 5.254 0 1 FKAF O=C(CCCN1[C@H]2CC[C@@H]1Cc1[nH]c3ccccc3c12)c1ccc(F)cc1 834668 CEDSKJUGADVONS-UTKZUKDTSA-N 362.448 5.032 0 1 FKAF O=c1oc(-c2ccccc2)cc(O)c1[C@@H](CC1CC1)SC1CCCC1 13740593 SPGRAVLILGQQMP-LJQANCHMSA-N 356.487 5.529 0 1 FKAF CNC(=O)c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1 13864422 LHTVZDWPAJZNEA-UHFFFAOYSA-N 360.438 5.115 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4CCCC[C@]4(C)[C@H]3C=C[C@@]21C 33820878 IFYQGXDHHNLPLR-LVARZUFQSA-N 356.550 6.377 0 1 FKAF Cc1c(F)ccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O 38931927 VAJPAWXFYKFUMH-UHFFFAOYSA-N 363.841 5.286 0 1 FKAF Cc1cc(OCc2cccc(-c3c(C)cccc3C)c2)ccc1CCC(=O)O 66104951 MXTQGUYGYRXCBC-UHFFFAOYSA-N 374.480 5.875 0 1 FKAF O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(-c2cccs2)cc1 66123344 ZRZZSOIFQQARDE-UHFFFAOYSA-N 357.818 5.019 0 1 FKAF CCc1cnc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccco2)s1 82165418 SGKJBVQEZRLNGY-BBRMVZONSA-N 368.506 5.413 0 1 FKAF COC(=O)c1cc(CCC(C)C)c2c(c1)CC[C@](C)(CCCC(C)C)O2 84153797 JLWGAJAFCQCLFY-QHCPKHFHSA-N 360.538 5.972 0 1 FKAF biogenic,in-vitro CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(F)cc2)cc1O 84653045 HNZQKUZQEQIPDM-OBOBVVSZSA-N 366.476 6.643 0 1 FKAF CC1=C2C[C@]3(CN4C[C@]45CCCC54CCCC4)CC[C@@H](C)[C@@]2(CC1)C3(C)C 85548262 WXPVGYXKHDXKPM-IBOMKHEGSA-N 367.621 6.728 0 1 FKAF biogenic,in-vitro c1ccc(-c2cc(-c3noc(-c4ccccc4)n3)n(-c3ccccc3)n2)cc1 96911229 GPXCKPWOSUPUAY-UHFFFAOYSA-N 364.408 5.256 0 1 FKAF Cc1cccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n12 113656954 AQQGZTUNRJVZAQ-UHFFFAOYSA-N 353.469 5.315 0 1 FKAF COc1ccc(C(=O)O)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O 238749807 KTDJJLWNCQHPQK-VZRGJMDUSA-N 372.505 6.061 0 1 FKAF Clc1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccccc3)[nH]c2c1 473115620 UMAOLXDYDYUCOB-UHFFFAOYSA-N 370.843 5.736 0 1 FKAF CCc1oc2ccccc2c1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586904151 RWFPHTGUYKTNJJ-UHFFFAOYSA-N 368.440 5.370 0 1 FKAF COc1cc(/C=C/c2nc3cccc(Cl)c3[nH]2)ccc1Br 586975526 DNEZAZAZBMFBRX-SOFGYWHQSA-N 363.642 5.158 0 1 FKAF Cc1c([C@H](C)c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991823 QUMMCKMOBCTOPH-CQSZACIVSA-N 365.432 5.612 0 1 FKAF Cc1ccc(-c2nc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c(C)s2)cc1 587013320 UQDDNVCJMNPKSQ-UHFFFAOYSA-N 361.514 6.268 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c(C)s2)cc1 587013641 VPMWUHOGFLZYEP-UHFFFAOYSA-N 374.296 6.277 0 1 FKAF Fc1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1 587047744 LYJAXBCQZVXVDL-UHFFFAOYSA-N 357.215 6.343 0 1 FKAF Fc1cc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2cc1C(F)(F)F 587079853 HUYMFEUFLAICKA-UHFFFAOYSA-N 367.733 5.377 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H](c1ccccn1)CC4)-c1ccccc1C2=O 587096042 CAHKHSZYZRKAGJ-QGZVFWFLSA-N 362.432 5.228 0 1 FKAF Cc1cccc2c1[C@@H](C)c1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101748 VNJMUPDGFOVMGC-OAHLLOKOSA-N 361.444 6.195 0 1 FKAF CCOc1cc(/C=C\c2nc3ccc(C)c(C)c3[nH]2)ccc1OC(F)F 587128994 AGKMTDYDQMXGLB-YFHOEESVSA-N 358.388 5.350 0 1 FKAF Fc1cc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)ccc1-c1ccccc1 587145852 SMTDORGBUOLYQP-UHFFFAOYSA-N 372.230 5.662 0 1 FKAF Cc1c(Cl)ccc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c12 587166365 YGNAZHBRCLDVHS-UHFFFAOYSA-N 353.828 5.645 0 1 FKAF Cc1cc(C)c2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 587192699 ZMNYOKPWHFSERI-LJQANCHMSA-N 365.477 5.136 0 1 FKAF CC(=O)Nc1cccc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587241878 CLAQODJKAMECOH-UHFFFAOYSA-N 373.481 5.263 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)C[C@H](c2ccccc2)C1 587484460 SEOVEIKNFVAMST-READRUSDSA-N 364.485 5.653 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2C1CCCC1 587603615 OCHYSQHQFFBYNX-NYDSKATKSA-N 364.441 5.083 0 1 FKAF CC1=CC[C@H]([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587814943 JHLAHJUKMWCZPW-UVBSCNOISA-N 352.291 5.084 0 1 FKAF CCC1(C)CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587816890 FLVXUYREAKROLN-RGZNSWCXSA-N 354.307 5.308 0 1 FKAF CCCCCC[C@H](C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587817677 DNGZYKJVWFKDJD-ZJNRKIDTSA-N 356.323 5.770 0 1 FKAF Cc1cc2ncn(CCc3nc(-c4cc(F)ccc4F)cs3)c2cc1C 587921604 KDYZKCDSRVWSOL-UHFFFAOYSA-N 369.440 5.298 0 1 FKAF Fc1ccc(-c2csc(Cc3ccccc3Br)n2)cc1F 587922100 GWNWZJJVMMZGIJ-UHFFFAOYSA-N 366.230 5.442 0 1 FKAF COc1cc(C2(c3nc4ccc(Br)c(C)c4[nH]3)CC2)ccc1C 587925970 UWGWVQSZRVBBOW-UHFFFAOYSA-N 371.278 5.031 0 1 FKAF CC(C)(C)c1ccc([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)o1 962694725 DZCZJNZTHOELDJ-OYHNWAKOSA-N 373.537 5.343 0 1 FKAF Cc1cc(Nc2cc(Cl)c(Oc3ccccc3)c(Cl)c2)nc(N)n1 1772603855 XHSWZGPVOLJTCC-UHFFFAOYSA-N 361.232 5.210 0 1 FKAF COc1cccc(-c2ccc3ncnc(NCc4cccc(C)c4)c3c2)c1 36380603 OFJDAOPECRJVTF-UHFFFAOYSA-N 355.441 5.226 0 3 FKAF c1ccc(-c2ccc([C@]3(Cn4ccnc4)OCc4ccccc43)cc2)cc1 5974808 FUJSNWGMDYDZLE-DEOSSOPVSA-N 352.437 5.024 0 1 FKAF COc1ccc(CCCc2sccc2CCCCCCC(=O)O)cc1 13726628 WXOLUMLTFMPBIS-UHFFFAOYSA-N 360.519 5.510 0 1 FKAF CC(=O)Oc1c(CC=C(C)C)c(O)cc(O)c1C/C=C(\C)CCC=C(C)C 15120593 ADBQRDHBBYFMGY-GZTJUZNOSA-N 372.505 5.767 0 1 FKAF C(=C/c1ccccc1)\CN(Cc1cccc2ccccc12)C1CCCCC1 28241955 QSQAORSYXSWLTJ-JLHYYAGUSA-N 355.525 6.688 0 1 FKAF c1ccc([C@@H]2CN(CCCc3cccnc3)Cc3c2[nH]c2ccccc32)cc1 29489243 JULFDEFXVAZHOF-QFIPXVFZSA-N 367.496 5.143 0 1 FKAF CN(C)[C@@H]1CC=C(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)CC1 34806261 BCUSKDWPXMSSRG-MRXNPFEDSA-N 364.518 5.164 0 1 FKAF CC(C)(C)c1ccc(O[C@@H](CCn2ccnc2)c2ccc(Cl)cc2)cc1 40394164 VLYIUHXNZRTVBU-NRFANRHFSA-N 368.908 6.044 0 1 FKAF COc1ccccc1C[C@H](Cc1ccc(-c2ccccc2)cc1)n1ccnc1 40952339 OMHFLHBBISSYIZ-DEOSSOPVSA-N 368.480 5.585 0 1 FKAF CCCOc1ccc(C(=O)Nc2cccc(Nc3cccc(F)c3)n2)cc1 96273386 AWGIHERSUKZEIR-UHFFFAOYSA-N 365.408 5.005 0 1 FKAF O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl 169702019 HPFXNUPQCOLILO-OAQYLSRUSA-N 360.844 5.332 0 1 FKAF COc1ccc2nc(-c3cn(-c4ccccc4)nc3-c3ccccc3)[nH]c2c1 473114072 LTPMSNLJOIKNNZ-UHFFFAOYSA-N 366.424 5.091 0 1 FKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 586884761 ARMLLJORMDVSPP-GAJHUEQPSA-N 372.468 5.287 0 1 FKAF CCCCCOc1cc2nc([C@@H]3C[C@]3(C)CC)[nH]c2cc1Br 586890877 PMERZYSNVFNMSR-SGTLLEGYSA-N 365.315 5.798 0 1 FKAF N=c1[nH]ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587074476 YIDRQJGAFXBKQT-SAPNQHFASA-N 374.875 5.197 0 1 FKAF Cc1cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1C 587130632 WMKYUTJTHJENSL-MRVPVSSYSA-N 374.769 5.514 0 1 FKAF Cc1c(Cl)ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587132018 HCRPREJGFDZLBS-GORDUTHDSA-N 358.697 5.391 0 1 FKAF Cc1cc(-c2nc3c(F)cccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144386 KFRWPEAGHJAXAB-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF Cc1cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2cc1Cl 587145120 IGSBNJUGZMZYEP-UHFFFAOYSA-N 354.787 6.137 0 1 FKAF Cc1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1C 587148539 BSHMEDVTSTVDDZ-OAQYLSRUSA-N 364.395 5.626 0 1 FKAF COc1cccc(-c2cc(-c3ccsc3)nc3c2oc2ccccc23)c1 587365063 ANRQOASBUXNWHY-UHFFFAOYSA-N 357.434 6.385 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)-c1ccccc1C3)O2 587406833 WALUYGJSDMKOGF-DEOSSOPVSA-N 355.437 5.029 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)o1)(C1CCCC1)CC2=O 587479858 JSDMNLHSPZACJW-JOCHJYFZSA-N 354.446 5.297 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1nccs1)CC2=O 587497468 WNPPOCGAEHBCSB-IBGZPJMESA-N 365.454 5.175 0 1 FKAF O=C1C[C@]2(CCCc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587501676 PVSKWIIVJXMVBJ-QFIPXVFZSA-N 352.861 5.416 0 1 FKAF COc1ccc(Cl)cc1NC(=O)c1c(C)[nH]c2c(C)cc(Cl)cc12 587624248 HNKMUNRAEIZYHU-UHFFFAOYSA-N 363.244 5.352 0 1 FKAF CC[C@]1(C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587818748 JCSOCLDYYPWZJL-KZULUSFZSA-N 354.307 5.308 0 1 FKAF CCC(=O)Nc1cccc(Oc2nc(Nc3ccccc3)ncc2Cl)c1 621431404 CEOAOYUZUALVBX-UHFFFAOYSA-N 368.824 5.014 0 1 FKAF CCC[C@@H](C)[C@]1(c2ccccn2)NCCc2cccc(-c3ccccc3)c21 962659117 DTBRQCZSRKSRHC-KBMIEXCESA-N 356.513 5.574 0 1 FKAF CCOC(=O)[C@@H](CC(C)(C)C)[C@H]1NCCc2cc(-c3ccccc3)ccc21 962667688 PJSXYINKVDMZBV-VXKWHMMOSA-N 365.517 5.156 0 1 FKAF Cc1cc(C)c2nc(Cl)c([C@@H]3NCCc4cccc(Cl)c43)cc2c1 963390596 LFUANHUNRJXASQ-IBGZPJMESA-N 357.284 5.394 0 1 FKAF COc1c(C)cc(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)cc1C 1772584968 KIQBTQUUMDDEIZ-SFHVURJKSA-N 367.470 5.042 0 1 FKAF Clc1ccc(NCc2ccc(CNc3ccc(Cl)cc3)nc2)cc1 1857560117 RLLUDDMITSNLTD-UHFFFAOYSA-N 358.272 5.613 0 1 FKAF CCCCCC[C@@]1(O)C(=O)Nc2ccc(Nc3ccc(Cl)cc3)cc21 1857578926 ZYNUCSNDHPAZHC-FQEVSTJZSA-N 358.869 5.194 0 1 FKAF CC1=C[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)CC[C@@H](C(C)C)[C@@]2(O)CC1 2356502164 ZJMCLZQHFRSWIZ-WMIMKTLMSA-N 368.517 5.155 0 1 FKAF CC1=C2CC[C@H](C)[C@@H]2[C@H](O)[C@]2(C)CC[C@]3(C)CCC(C)(C)C[C@@H]3[C@@H]2CC1 2356754575 AKSFJIXKSLGFLQ-GXWZOUANSA-N 358.610 6.753 0 1 FKAF O=C(Nc1ccc2ccccc2c1)[C@@H](Nc1ccccc1)c1ccccc1F 206050047 FDKWFIONBWOYFK-QHCPKHFHSA-N 370.427 5.771 0 3 FKAF C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(Cl)cc3)ccc2o1 13606755 NCMDQOIHFGGPGZ-OAHLLOKOSA-N 367.876 5.344 0 1 FKAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H]2C[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(C)C 27554472 PSDQYGKBECOLJX-GTOUJDPISA-N 362.554 5.593 0 1 FKAF CC(C)c1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)on1 29126652 QHSOJXVJMDTXSK-UHFFFAOYSA-N 364.832 5.627 0 1 FKAF CC(C)NCc1ccc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1 45209771 CRPSERFZMPNOIN-UHFFFAOYSA-N 362.448 5.243 0 1 FKAF Cc1c(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)nc2ccccc12 45366716 XQCBMHKEPWWBCB-UHFFFAOYSA-N 373.477 5.281 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C=Cc4cocc4[C@@]3(C)[C@H](O)C[C@H]21 49034813 ASIGVUKHFQVAFS-XTKXXMFCSA-N 368.561 6.194 0 1 FKAF O=C(CCCc1ccccc1)Oc1ccc(-c2cssc2=S)cc1 49823307 TYZMAGIVRQSVOR-UHFFFAOYSA-N 372.536 6.134 0 1 FKAF c1ccc(Nc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 66166236 LSOCYSGCDSKWRO-UHFFFAOYSA-N 373.564 7.012 0 1 FKAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H](C(=O)O)CC[C@]21C 95594983 PTSOMORPIOAPGG-CSNGNCMSSA-N 362.554 5.117 0 1 FKAF Cc1ccc(CNc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)cc1 103229171 VFNMUGJZCGJNIS-UHFFFAOYSA-N 366.383 5.889 0 1 FKAF c1ccc(CCN2CCC(OCc3ccccc3)(c3ccccc3)CC2)cc1 169322429 HYYDGUINZPTFMA-UHFFFAOYSA-N 371.524 5.437 0 1 FKAF CCC/C=C\CSC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169728566 QXBFRDGMYMBQMJ-ADTRQCEGSA-N 352.540 5.071 0 1 FKAF CC[C@H]1CCC[C@]23CCN(CC4CCC4)[C@@H](Cc4ccc(OC)cc42)[C@H]13 195038400 KAOWEHFUQIEFQN-IMNFJDCFSA-N 353.550 5.190 0 1 FKAF CC1(C)[C@H]2CC[C@H](CNc3cc(Oc4cccc5cccnc45)ncn3)[C@H]1C2 299878267 ISRLNFDIDBSOMI-FGTMMUONSA-N 374.488 5.301 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 587028657 YZQMDGUUSBNQPH-UHFFFAOYSA-N 363.339 5.511 0 1 FKAF COc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1Cl 587054201 MWMTUZYQFWAGGA-AATRIKPKSA-N 353.636 5.702 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccnc(C(F)F)c3)nc3cccc1c23 587103170 GCQPLSMCDCGQEF-UHFFFAOYSA-N 358.347 5.446 0 1 FKAF COc1c(F)cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1F 587134554 JDXYSYQYJVUVMY-UHFFFAOYSA-N 362.685 5.189 0 1 FKAF Cc1cc(Br)c(-c2nc3ccc4c(c3[nH]2)CCCC4)cc1F 587137628 CVKDRFCWBAXHET-UHFFFAOYSA-N 359.242 5.319 0 1 FKAF Cc1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c1 587138269 GAHGEYFGJUIPOE-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF COc1cccc(-c2cc([C@@H]3C[C@@H]4C=C[C@H]3C4)nc3c2oc2ccccc23)c1 587364453 AGGZBSMALDVHNG-OXFYSEKESA-N 367.448 6.336 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccc(F)cc3)s1)O2 587386335 XMFMMPJNBIUTFO-OAQYLSRUSA-N 367.445 5.325 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OC3CCCCC3)cc1)O2 587403191 KTWZXAJHBOCKAV-HSZRJFAPSA-N 365.473 5.169 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(SC3CCCC3)cc1)O2 587410516 OKWMITZXCLRHDR-QFIPXVFZSA-N 367.514 5.493 0 1 FKAF O=C1C[C@](c2ccc(F)cc2)(c2ccco2)Oc2c1ccc1c2CCCC1 587504155 GBMFHHSABKPSAN-QHCPKHFHSA-N 362.400 5.207 0 1 FKAF Cc1ccc([C@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587815377 MAXWFBVLLGMLDG-RNODOKPDSA-N 374.297 5.084 0 1 FKAF Cc1cc(C)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587815815 QKWULRSWPRIZOX-BFUOFWGJSA-N 362.286 5.003 0 1 FKAF CCCC[C@H](CC)C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587817216 AKZFKXIHWGICJS-FHSNZYRGSA-N 356.323 5.770 0 1 FKAF Oc1cc(C2CCCCC2)c(O)n1-c1cc(Cl)cc(Br)c1 587939469 DWGNONNTKZOLEK-UHFFFAOYSA-N 370.674 5.352 0 1 FKAF CC(=O)[C@H]1CC[C@]2(C)[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356659890 XITWYGYWFIVTIE-ZWYIQENHSA-N 356.550 5.750 0 1 FKAF CCCCNC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC4=O 36387917 PQZWOPSCARSDCV-IETBVJFISA-N 373.581 5.275 0 3 FKAF C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)\Cc1ccccc1 100069475 SSKFWBSXNIWCBH-VCHYOVAHSA-N 368.524 5.150 0 3 FKAF in-man CN(C)C[C@@H]1C[C@H]2c3ccccc3Cc3ccc(-c4ccccc4)cc3N2O1 13437217 RUWZQSJWDUNAEU-DHLKQENFSA-N 370.496 5.071 0 1 FKAF Cc1ccccc1C(=O)c1ccc(N(C)c2ccccc2N)cc1Cl 13531316 GIBQUDGWUOVOMR-UHFFFAOYSA-N 350.849 5.230 0 1 FKAF c1ccc(CCCCN[C@@H]2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1 13557337 KZXMZCLJNRSAAU-AOYPEHQESA-N 355.525 5.746 0 1 FKAF CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)Sc1ccccc1 13738031 XCNZWKUUQKIKAA-UHFFFAOYSA-N 357.475 5.934 0 1 FKAF CCCCCC[C@@H](O)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 13779269 MRAWPNLCWYURBV-GUDVDZBRSA-N 358.522 6.007 0 1 FKAF CCCCCCOc1nsnc1C1=C[C@@]2(C)CCCC[C@@]2(C)N(C)C1 26288355 XRCZXVLJAJAWHZ-WOJBJXKFSA-N 363.571 5.165 0 1 FKAF CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H](C)c1ccccc1 28956233 SINICVYFWKASAP-MRXNPFEDSA-N 362.477 5.270 0 1 FKAF C[C@H]1CC[C@H]2[C@H](C1)c1c(O)cc(/C=C/c3ccccc3O)cc1OC2(C)C 34065583 ADICELGPGMRQFN-ZWGYXXSNSA-N 364.485 5.959 0 1 FKAF CC1(C)C(C(=O)c2cn(CCN3CCCCCC3)c3ccccc23)C1(C)C 45285374 LVQLXZWACOKCSL-UHFFFAOYSA-N 366.549 5.382 0 1 FKAF CCCCC[C@H](C)NCc1coc(-c2ccc(C3CCCCC3)cc2)n1 72184615 GRSPWPYGFSVZKU-SFHVURJKSA-N 354.538 6.448 0 1 FKAF O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1C(F)(F)F 72186606 FRGFYHMBBWYTGH-SFHVURJKSA-N 363.766 5.038 0 1 FKAF CCCc1nc2c(NCc3cccc(Cl)c3)ncnc2n1C[C@H](C)CC 82181365 KOBGWLSMKXUKRD-CQSZACIVSA-N 371.916 5.090 0 1 FKAF CCCCCOC(=S)S[C@H](Cn1ccnc1)c1ccc(Cl)cc1 169322130 BPCBBYPKXOHUQY-MRXNPFEDSA-N 368.955 5.503 0 1 FKAF COc1ccc2c(c1)cc(-c1ccccc1)n2Cc1cccc(C(=O)O)c1 169701305 ZSWPWUSMEWCUCL-UHFFFAOYSA-N 357.409 5.063 0 1 FKAF O=NN1[C@H](c2ccccc2)CC(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 253664651 FBRWNHRLJWXKFA-MDNUFGMLSA-N 356.425 5.209 0 1 FKAF CC(C)c1cc(-c2nc3cc(Br)cnc3[nH]2)c(O)c(C(C)C)c1 586895909 BXUDMFVOAIRSIL-UHFFFAOYSA-N 374.282 5.340 0 1 FKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 586918372 XSJOMXVAWNKDSS-GAJHUEQPSA-N 362.473 5.077 0 1 FKAF Cc1cc(Cl)cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587031877 BPUSCIIFDQQNHK-UHFFFAOYSA-N 353.878 5.533 0 1 FKAF COc1c(C)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C 587106140 FLKTYOKVETZKJH-UHFFFAOYSA-N 365.432 5.739 0 1 FKAF Cc1ccc2c(ccc3nc([C@H](C)Cc4cccc(C(F)(F)F)c4)[nH]c32)n1 587114024 QCELKRWFQBGELO-GFCCVEGCSA-N 369.390 5.785 0 1 FKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Cl)ccnc3[nH]2)cc1F 587151706 TVLLEDFGHQKEMD-KRWDZBQOSA-N 371.774 5.058 0 1 FKAF Cc1ccc2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)ccc2c1 587207397 SJTFQCRJLQACGH-UHFFFAOYSA-N 371.439 6.575 0 1 FKAF COc1cccc(-c2c(C)c(-c3cncn3C)nc3c2oc2ccccc23)c1 587361846 ARZHHHKOOMLLRT-UHFFFAOYSA-N 369.424 5.366 0 1 FKAF CCC(=O)CCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587366579 WFWKCZDFPOHMQV-UHFFFAOYSA-N 373.452 5.877 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(C(C)C)cc1)CC2=O 587491770 YZMFAZIBPUNEHN-HSZRJFAPSA-N 352.474 5.739 0 1 FKAF O=C1C[C@@H](c2cccc(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 587510602 WIRYXMNUXUIPPD-KRWDZBQOSA-N 364.338 5.430 0 1 FKAF O=C1C[C@H](c2cc(-c3ccsc3)cs2)Oc2c1ccc1c2CCCC1 587530057 CNHQULSKRRDYQT-LJQANCHMSA-N 366.507 6.062 0 1 FKAF CCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(C)cc(Cl)cc12 587624099 FOGUOXWRRNLLAM-UHFFFAOYSA-N 351.799 6.768 0 1 FKAF Cc1[nH]c2cccc(F)c2c1Cc1c[nH]c2ccc(Br)cc12 587632783 PVIMJTPCLYVHPE-UHFFFAOYSA-N 357.226 5.450 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3ccccc23)N1 587819519 INHWMWRUXHPKCO-YUNKPMOVSA-N 370.265 5.365 0 1 FKAF CC(C)=CCC[C@@H](C)C[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821026 SGPWAVAIHZAOOR-LPMFXHHGSA-N 368.334 5.936 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2cc(C)c(C)cc2s1 587872589 OVRYREZYFSOSMD-UHFFFAOYSA-N 367.449 5.304 0 1 FKAF CC1([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)CCCCCC1 962624699 ANXPNGRSMYWPRR-ILBGXUMGSA-N 374.572 5.835 0 1 FKAF COc1ccc(/C(C)=C(\CCCC(=O)N2CCCC2)c2ccccc2)cc1 1911586674 WIHQYDABFDCTGE-FCDQGJHFSA-N 363.501 5.419 0 1 FKAF CCO[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@]21C 2356691701 TWEHZCXWBLXVIK-FIOCPMRGSA-N 360.494 5.152 0 1 FKAF COc1ccccc1CCn1cnc(-c2cccc(Cl)c2)c1CC(C)C 198627932 JUZQHYRAXKOUSE-UHFFFAOYSA-N 368.908 5.653 0 3 FKAF Fc1ccc(C2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1 13741507 MNTZHLHHOJLERY-UHFFFAOYSA-N 350.481 5.509 0 1 FKAF CC1=CCCC(C)(C)[C@H]1Cc1c(O)cc(/C=C/c2ccc(O)cc2)cc1O 14825128 PFXULLDGLDNOOD-BXKJMJEDSA-N 364.485 5.899 0 1 FKAF CC(=O)Nc1c(Cl)ccc(Cl)c1COc1cccc2cnccc12 29561961 QJIZGLUDTBRQHR-UHFFFAOYSA-N 361.228 5.079 0 1 FKAF C[C@@H]1CCc2c(cccc2Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)C1 53229832 KHVZYKZMWXINFJ-CYBMUJFWSA-N 372.390 6.229 0 1 FKAF CC(C)N(C(=O)/C=C/C1=C(c2ccccc2)c2ccccc2CC1)C(C)C 64516578 DAWPRSLVEDDWES-WUKNDPDISA-N 359.513 5.636 0 1 FKAF CCc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(CC)cc2)cc1 66073807 NDWMCVVDVTVOAE-DNQXCXABSA-N 350.550 5.002 0 1 FKAF CCCCCNc1ncnc2c1nc(-c1ccccc1)n2C[C@@H](C)CC 82186141 WBSWCJMTHOVEBK-INIZCTEOSA-N 351.498 5.142 0 1 FKAF CCCCCNc1ncnc2c1nc(-c1ccc(C)o1)n2C[C@@H](C)CC 82186596 DGCQYXWBQRRHLX-AWEZNQCLSA-N 355.486 5.043 0 1 FKAF Cc1cc2scnc2cc1-c1ccc(C(=O)Nc2ccccc2F)s1 114454359 RDEJYXRFEBACJU-UHFFFAOYSA-N 368.458 5.725 0 1 FKAF CCCCC[C@@H]1Cc2c(cc(O)c3c2OC(C)(C)C2=C3C[C@H](C)CC2)[C@@H]1C 169344334 JYBKWVOBWXXRBB-BRWVUGGUSA-N 368.561 6.993 0 1 FKAF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)[C@H]1C(=O)CCCC1=N2 169722028 SWZGDUAWMLWJDS-WOJBJXKFSA-N 356.828 5.396 0 1 FKAF Cc1cc(O)ncc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1 299866791 PJLJSDPQJZKUTH-UHFFFAOYSA-N 353.784 5.098 0 1 FKAF c1ccc(COc2cccc3nc([C@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c23)cc1 586885958 XYIKFWWJPRGCGF-LYXWCMDISA-N 358.485 5.610 0 1 FKAF COc1cncc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587050745 LUFGBXFFTSYLAK-UHFFFAOYSA-N 360.200 5.200 0 1 FKAF COC1CCC(c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)CC1 587099271 FAUQEYMBOCSTJL-UHFFFAOYSA-N 371.480 5.736 0 1 FKAF Cc1ccc2c3c(cc(-c4ccccc4C4CC4)nc13)-c1ccccc1C2=O 587099885 WSJBFHOYPPHUPN-UHFFFAOYSA-N 361.444 6.299 0 1 FKAF CCc1ccc(Cc2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)cc1 587100851 PPXKUBNMZCMSAB-UHFFFAOYSA-N 363.460 5.908 0 1 FKAF Cc1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1C 587128083 FNUMGLPWWUORBO-UHFFFAOYSA-N 355.413 5.908 0 1 FKAF CCC[C@]1([C@@H](C)CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354052 MNITUDOFYIFEAU-PRPYNDMISA-N 356.437 5.475 0 1 FKAF COc1cccc(-c2cc(-c3cccc(O)c3)nc3c2oc2ccccc23)c1 587367318 VIOAYWZLBZHQLK-UHFFFAOYSA-N 367.404 6.029 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(SC(F)(F)F)cc1)O2 587382226 KOWXFVZHSHKJBZ-QGZVFWFLSA-N 367.392 5.070 0 1 FKAF C[C@@]1(c2ccc(C3CCCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523991 MORRXICOZGKCEX-SANMLTNESA-N 374.524 6.494 0 1 FKAF CCOC(=O)c1c(-c2ccc(F)c(Cl)c2)[nH]c2ccc(F)c(Cl)c12 587629320 KKQBMKYVYUBBOY-UHFFFAOYSA-N 370.182 5.597 0 1 FKAF O=C(c1c(-c2ccc(OC(F)F)cc2)[nH]c2cc(F)ccc12)C(F)(F)F 587633727 JXEJCGAEHKSYHE-UHFFFAOYSA-N 373.252 5.320 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(SC)c2c1 587641512 JRNZRXBOJDYGRI-GFCCVEGCSA-N 363.448 7.089 0 1 FKAF Cc1ccc(/C=C\[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587814333 HBGBDOSUYFLUEX-OQVINSAPSA-N 374.297 5.359 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccccc3[C@H]2C)N1 587816822 DQPLIJGXKCWFFR-VFGMZZLHSA-N 374.297 5.068 0 1 FKAF CC(C)Oc1ccc(OC(C)C)n1-c1ccc(O)c(-c2ccccc2)c1 587926289 MMPUZJUEQUKSSS-UHFFFAOYSA-N 351.446 5.424 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc5nc(C)ccc5c4[nH]3)c2)cc1 587936590 VIOMSJFHLUZCGE-UHFFFAOYSA-N 365.436 5.762 0 1 FKAF Cc1ccc([C@@H]2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1 653886920 KGINFIUZDVTYIW-QFIPXVFZSA-N 370.452 5.122 0 1 FKAF CCCn1c(C)cc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c1C 962693160 AEWBXVXFCMDAIA-VGOFRKELSA-N 372.553 5.107 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)c(-c5cccc(F)c5)c4CC[C@H]3[C@@H]1CCC2=O 1772581398 UQQWWHQDABKFIO-OMANQYLTSA-N 364.460 5.624 0 1 FKAF C[C@]12CCC(=C3C=CC=C3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O 2356344923 SIECXYXJFIDLDH-YDHFMQRRSA-N 352.562 6.203 0 1 FKAF CC(C)Cc1ccc([C@@H](C)C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 2382225634 UYYZKLNIASJRFD-OAHLLOKOSA-N 363.423 5.324 0 1 FKAF C[C@]12CCC=C[C@@H]1[C@@H](c1ccc3ccccc3c1)N(Cc1ccccc1)C2=O 13830427 DLLSCTDMHJGMPP-MZKUHISZSA-N 367.492 5.896 0 1 FKAF CCCCN1CN(CCCC)[C@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1 58640493 WDJZHIZFCHPNHV-DHIUTWEWSA-N 368.521 5.056 0 1 FKAF CCCC/C=C/C/C=C/CCCCCCCCc1cccc(O)c1C(=O)O 70455222 YUWIWHLZEVCYFN-HHWLVVFRSA-N 372.549 7.056 0 1 FKAF biogenic,in-vitro CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(C)c(C)cc3C)ccnc21 84688050 RYKYKDNADHUDIU-HXUWFJFHSA-N 361.489 5.053 0 1 FKAF CCCCCOc1cc(C)cc(Oc2cc(C)cc(OCCCCC)c2)c1 95591969 DSZVHBOSGUHTTC-UHFFFAOYSA-N 370.533 7.234 0 1 FKAF CCCOc1ccc(-c2cc(OCCn3cccc3)c3ccccc3n2)cc1 96927229 RHYAPZQPMPTTCY-UHFFFAOYSA-N 372.468 5.571 0 1 FKAF Nc1nc(=S)[nH]c2c1[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 103289562 GQMNMVFERNCVCJ-MRXNPFEDSA-N 357.438 5.160 0 1 FKAF CCCCC[C@H](C)SC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253637601 JPUVEYMMQIVSGF-AQYMQRNSSA-N 368.583 5.683 0 1 FKAF Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)c3cccnc23)cc1 473172434 WPEFJOROWKMZAG-UHFFFAOYSA-N 374.465 5.011 0 1 FKAF FC(F)(F)Sc1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586883612 CPOZZEFROCJKMB-KBXCAEBGSA-N 360.404 5.546 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c(C)s2)cc1 587013580 ROFFCQIBXVQHNH-UHFFFAOYSA-N 374.391 5.384 0 1 FKAF CNc1cc(Cl)ccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587066050 FTQVQVIIDNENRH-UHFFFAOYSA-N 363.848 5.504 0 1 FKAF Cc1cc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)n1 587096057 CUIAKTAUNKNHBR-UHFFFAOYSA-N 364.448 5.742 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2cc(Br)cc(C)c2[nH]1 587154211 AEQNLYQRGAMYIZ-AWEZNQCLSA-N 363.230 5.303 0 1 FKAF Fc1ccc(COc2ccccc2-c2cc3c4c(cccc4n2)CC3)cc1 587212116 CSGCIHBZKRXZLD-UHFFFAOYSA-N 355.412 5.719 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(Cl)c(C)c2[nH]1 587240621 GOWNWLKJNLKBJF-UHFFFAOYSA-N 363.848 5.944 0 1 FKAF CC[C@@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587403556 OJDMFGUITKICDD-DEOSSOPVSA-N 373.452 5.640 0 1 FKAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(c2ccc(Cl)cc2)C1 587460752 HRZZUBWBPALAIH-UHFFFAOYSA-N 356.849 5.280 0 1 FKAF O=C1C[C@H](c2ccccc2Br)Oc2c1ccc1c2CCCC1 587502499 LFISMOFYZDATAL-GOSISDBHSA-N 357.247 5.034 0 1 FKAF O=C1C[C@@H](c2c(O)ccc(Cl)c2Cl)Oc2c1ccc1c2CCCC1 587505995 NBQOIWXDDDOVQV-INIZCTEOSA-N 363.240 5.284 0 1 FKAF Cc1ccc(C)c(-n2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 587515711 OWDVPORSCQNJQB-DEOSSOPVSA-N 371.480 5.679 0 1 FKAF CCCCC[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527961 ZUTHTFAPRBIVKU-XXBNENTESA-N 372.505 5.049 0 1 FKAF CC(C)c1ccc2c(c1)[C@@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587534400 DPVKPLXUAAWYCE-XMMPIXPASA-N 362.469 5.332 0 1 FKAF C[C@H](C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)CC(C)(C)C 587601426 FXZMQWXCNALABS-CCKFTAQKSA-N 354.446 5.185 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)c3ccccc3F)c(C(F)(F)F)[nH]c12 587624988 XZCGILFKGOGHAA-UHFFFAOYSA-N 355.718 5.519 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(Cl)cc3OC)c2c1 587641221 LKYLOVYWDGBBCU-GFCCVEGCSA-N 370.880 5.904 0 1 FKAF COc1cccc(OCc2ccc(-c3nc4c(C)ccc(C)c4[nH]3)cc2)c1 587780530 BZPZVGUJMLXEPD-UHFFFAOYSA-N 358.441 5.434 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CC2)(c2ccccc2)N1 587814685 IBZRFWQOYPZQAC-RNODOKPDSA-N 374.297 5.166 0 1 FKAF CC(C)[C@@H]1CCC[C@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587820214 ZBOKZPPIQTYTKO-PJIJBLCYSA-N 368.334 5.554 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)c1 587931211 GDCBFMAWYXZRHC-UHFFFAOYSA-N 367.408 5.159 0 1 FKAF CCCOc1ccccc1[C@H]1c2ccsc2CCN1Cc1ccco1 962707809 OREJTLXTEVGPMY-NRFANRHFSA-N 353.487 5.278 0 1 FKAF Cc1sc2c(c1C)CCN[C@@]21[C@@H](C)C[C@H]([C@H]2C[C@H]3CC[C@H]2C3)C[C@H]1C 963014040 STYBSZKXPKCMHV-ADTNAIIQSA-N 357.607 5.824 0 1 FKAF CC1(C)CC(Nc2ccccc2N)=C[C@@]2(C1)NCCc1cccc(Cl)c12 963391679 WSKXXWGPTHQDOV-QFIPXVFZSA-N 367.924 5.079 0 1 FKAF CCCOc1c(OC)cc(CCC)cc1Oc1ccc(CCC)cc1OC 1857553734 JERMEEBAKDJXEL-UHFFFAOYSA-N 372.505 6.190 0 1 FKAF Cc1nc(C)c(-c2csc(=Nc3ccccc3CC(F)(F)F)[nH]2)s1 1857563310 KXQMKYSYFLEGEO-UHFFFAOYSA-N 369.437 5.154 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3Cl)cc(-c3ccsc3)n2)c1 1857608082 OFGVLGKYYVUVSZ-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF CCOC[C@]1(C)C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 2356367279 ZTRZDZWICICOGN-XWRGVIDISA-N 362.554 5.527 0 1 FKAF COc1ccc(NC(=N)Nc2ccc3c4c(cccc24)CC3)c2ccccc12 1539267 AZZRFSWIWLKNLQ-UHFFFAOYSA-N 367.452 5.559 0 1 FKAF CN(C(=O)c1ccc(Cl)cc1)N1c2ccccc2CCc2ccccc21 3077477 WMAFSRKTOOCTNW-UHFFFAOYSA-N 362.860 5.264 0 1 FKAF biogenic Cc1cc2c(c(O)c1C(=O)O)C[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]1(C)O2 4394007 NGQPPHRBPAZXBM-VQDLLJBESA-N 372.505 5.335 0 1 FKAF Cc1cccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 5589667 VQPQERMHZIZHBO-UHFFFAOYSA-N 352.652 5.509 0 1 FKAF COc1cc(Nc2ncc(-c3ccccc3)o2)c(Cl)cc1-c1cnco1 13490395 LCQVSLKHQHPSGL-UHFFFAOYSA-N 367.792 5.402 0 1 FKAF CC(=O)Nc1oc(-c2cncc(-c3ccccc3)c2)nc1-c1ccccc1 13538090 DZCYFVPWGUECSY-UHFFFAOYSA-N 355.397 5.029 0 1 FKAF CCCCCN1CCC2(CC1)c1cc(O)ccc1[C@@](C)(CC)O[C@@H]2CC 27751789 QGFMUXAMSWETGC-FGZHOGPDSA-N 359.554 5.350 0 1 FKAF Cc1cc(CCCOc2c(C)cc(-c3cccc4ccccc34)cc2C)on1 28711023 ZKQAXCUTMAKNBV-UHFFFAOYSA-N 371.480 6.432 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C)C[C@H]3C(=C(C(=O)O)[C@]45CC[C@@H](C)[C@@H]4CC[C@@]35C)C[C@@H]12 31490214 GTPDAZPJWLNUDK-VXKUJAIQSA-N 370.577 6.312 0 1 FKAF CN1Cc2cc(N3CCCCC3)ccc2[C@H](c2cc3ccccc3s2)C1 35876763 ULLMROULDBOCOZ-OAQYLSRUSA-N 362.542 5.469 0 1 FKAF COc1ccc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)cc1 36124594 UQPJNOYPZHQCTL-UHFFFAOYSA-N 368.454 5.296 0 1 FKAF O=C(O)c1ccc2nc(-c3ccc(Cl)cc3Cl)c3c(c2c1)CCC3 49036126 CIWRHNSYSREBDY-UHFFFAOYSA-N 358.224 5.396 0 1 FKAF CN(C)c1cccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)c1 72109877 MBZHPWOXFNSVKA-HSZRJFAPSA-N 352.522 5.082 0 1 FKAF CCN(C)c1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2)n1 82163387 ZLSJVTXGSYICRS-UHFFFAOYSA-N 370.456 5.230 0 1 FKAF c1ccc2c(c1)[C@@H]1CC(c3ccsc3)(c3ccsc3)[C@@H]2c2cccc[n+]21 100729018 HQINWGGQGATOMX-VXKWHMMOSA-N 372.538 5.522 0 1 FKAF CC/C=C\C/C=C\C/C=C\CCCCCCCc1cc(O)cc(OC)c1 238737178 QSAZGMNPQJKWDO-YSTUJMKBSA-N 356.550 7.143 0 1 FKAF CCc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1CC 586879882 OEWQZEAILJKHRA-UHFFFAOYSA-N 364.674 5.166 0 1 FKAF CC[C@]1(C)C[C@@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 586885830 AHFIBBWPMHYYIR-SPLOXXLWSA-N 367.424 5.136 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)cc1 586897929 ABIJWTNLYLQTDF-UHFFFAOYSA-N 372.321 5.760 0 1 FKAF c1ccc2sc(-c3ccc4nc(-c5ccoc5C5CC5)[nH]c4c3)nc2c1 586902373 YOIVZRJIKDDDDY-UHFFFAOYSA-N 357.438 5.977 0 1 FKAF Cc1ccc2c3c(cc(/C=C/c4ccccc4F)nc13)-c1ccccc1C2=O 586995672 NEPKGMNRHNMHHT-VAWYXSNFSA-N 365.407 6.064 0 1 FKAF Clc1cccc(/C=C/c2nc3cc(Br)ncc3[nH]2)c1Cl 587055575 VDUZRHZSURJYTL-SNAWJCMRSA-N 369.049 5.198 0 1 FKAF Oc1nc2cc3nc(Cc4ccc(-c5ccccc5Cl)cc4)[nH]c3cc2[nH]1 587062134 CGDAPTIEGPBVRE-UHFFFAOYSA-N 374.831 5.056 0 1 FKAF CCOc1cc(/C=C\c2nc3ccc(Cl)cc3[nH]2)ccc1OC(F)F 587129616 FBUNVVRSDJUBOQ-YWEYNIOJSA-N 364.779 5.387 0 1 FKAF CSc1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587149285 KJUNFNLRAIBYNC-HXUWFJFHSA-N 363.461 5.625 0 1 FKAF Cc1c(Br)cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2c1C 587174787 LKFUHJCPKXESLV-UHFFFAOYSA-N 372.241 5.153 0 1 FKAF Cc1ccc2c(ccc3nc(-c4[nH]c5ccc(F)cc5c4Cl)[nH]c32)n1 587175594 VVSMPBCDVXLTLS-UHFFFAOYSA-N 350.784 5.360 0 1 FKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 587241455 CSEFNSRIAREILG-UHFFFAOYSA-N 361.367 5.233 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc4ccccc34)o1)O2 587415293 ZPNNFWFRSMSHNC-QHCPKHFHSA-N 369.420 5.697 0 1 FKAF CCCCOc1cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)ccc1F 587466305 KSXIICCZIWFCDS-FQEVSTJZSA-N 372.436 5.369 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(SCC)cc1)CC2=O 587490509 HCBDBCKUEGZSEJ-OAQYLSRUSA-N 356.487 5.337 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CCC)(c1ccc(Cl)s1)CC2=O 587496300 VRXDPFXGFZTKLB-IBGZPJMESA-N 364.894 5.720 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCSc3cc(C)c(C)cc31)CC2=O 587496702 SOZWIJYQRQPTAU-JOCHJYFZSA-N 368.498 5.318 0 1 FKAF O=C1C[C@@H](c2ccccc2Br)Oc2c1ccc1c2CCCC1 587502504 LFISMOFYZDATAL-SFHVURJKSA-N 357.247 5.034 0 1 FKAF C[C@@]1(Cc2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502564 AICMVWUTVQKHJA-OAQYLSRUSA-N 374.402 5.551 0 1 FKAF O=C1C[C@H](CCCCOc2ccccc2)Oc2c1ccc1c2CCCC1 587521038 HUPHGGKIOJFCLV-IBGZPJMESA-N 350.458 5.149 0 1 FKAF CC(C)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587601746 GXRWEHLAFDSSNN-NFBKMPQASA-N 360.409 5.219 0 1 FKAF CCC[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602560 JZNOKCMVJUSRQJ-URXFXBBRSA-N 374.436 5.135 0 1 FKAF CCCc1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587637599 DIHMMSLGUQHDNX-UHFFFAOYSA-N 358.235 5.248 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](C3CCCC3)C2)N1 587816808 DLAGEVMIRHJYSL-UHYGZKCKSA-N 366.318 5.308 0 1 FKAF Clc1ccc(-c2cc(-c3ccsc3)c3oc4ccccc4c3n2)cc1 1772582505 QNBQPJIDVVVCDD-UHFFFAOYSA-N 361.853 7.030 0 1 FKAF C[C@H]1C[C@@H](C(=O)Nc2nc3c(F)c(F)c(F)cc3s2)CC(C)(C)C1 1857764900 JAEMOXLUSZYPQQ-DTWKUNHWSA-N 356.413 5.115 0 1 FKAF CC1=CCC[C@]2(C)CC[C@H](C(C)C)[C@@H](OC(=O)C=Cc3ccccc3)[C@@H]12 2356391015 HWWJRNPFZYGYNM-MSNJVRRCSA-N 352.518 6.040 0 1 FKAF CCC/C(=C1/c2ccccc2C(=O)N1c1ccccc1)c1ccc(C=O)o1 61969081 PIPGOAXVFLJNIT-LSDHQDQOSA-N 357.409 5.421 0 3 FKAF Cn1c(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)c1-c1cccs1 1861856 YUVKZOYXWWKHGW-UHFFFAOYSA-N 359.450 5.816 0 1 FKAF CC1(C)C[C@@H]2C[C@@](C)(CN2c2nc(-c3ccco3)cc(C(F)(F)F)n2)C1 3894534 LYGCBZGVDNGGFU-KZULUSFZSA-N 365.399 5.160 0 1 FKAF CCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1C1CCCCC1 13587031 LIUYRTIXNAPCIB-UHFFFAOYSA-N 362.473 5.561 0 1 FKAF C[C@@H](c1ccccc1)n1c2ccccc2c2c(=O)[nH]c(-c3ccccc3)nc21 26509099 UPQOPYSTTKIBAT-INIZCTEOSA-N 365.436 5.154 0 1 FKAF CC1=C(CC/C(C)=C/C/C(C)=C/CCC2=CC(=O)O[C@H]2O)C(C)(C)CCC1 26571533 VABAHJMHZNYJJW-OPZYBIJMSA-N 372.549 6.158 0 1 FKAF O=Cc1nn(-c2ccccc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 26573108 GLIWIXDOLORLPZ-HXUWFJFHSA-N 366.464 5.501 0 1 FKAF CC1(C)CCC(C)(C)c2cc([C@@H](O)c3ccc(/C=C/C(=O)O)cc3)ccc21 26723698 WTGHSZIXBWHTPK-CGIBVWHJSA-N 364.485 5.215 0 1 FKAF CCCC[C@@]1(CC(=O)O)OCCc2c1oc1c(Cl)ccc(Cl)c21 28563830 XGLFMFKNACBKDW-KRWDZBQOSA-N 357.233 5.173 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820920 LROVMQNRAYMPKD-RQEZFVBVSA-N 372.549 5.780 0 1 FKAF CCCCOc1ccc(NC(=S)Nc2ccc(OCC(C)C)cc2)cc1 35001291 METPDZDVIONQIF-UHFFFAOYSA-N 372.534 5.709 0 1 FKAF CN(Cc1ccccc1)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1 40849205 HGFUXSJCWBETFB-UHFFFAOYSA-N 374.465 5.271 0 1 FKAF CCC(CC)Nc1nc(OC)c(-c2ccc(Cl)cc2Cl)nc1OC 72176404 XGBBOXTWDBQGMS-UHFFFAOYSA-N 370.280 5.068 0 1 FKAF CC[C@H](C)Cn1c(C2CC2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82221893 JRFCGZKQENGONV-ZDUSSCGKSA-N 369.900 5.015 0 1 FKAF CCn1cc/c(=N\c2ccc(Cc3ccccc3)cc2)c2ccc(Cl)cc21 96908253 PBIKIXDVFVUEDP-WNAAXNPUSA-N 372.899 6.138 0 1 FKAF Cc1cc([C@@H]2[C@@H]3CC[C@@H](C[C@H]2c2ccc(Cl)c(Cl)c2)S3)on1 101388784 JHGFPQGHZNDWJN-MWDDYTRKSA-N 354.302 5.825 0 1 FKAF CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccccc3C(=O)O)C2=C(O)C1 103521974 CABZFOGJALTUKH-FQEVSTJZSA-N 362.429 5.256 0 1 FKAF CC[P@](=O)(OC)c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 141151441 PHWQETUJUHDLNN-QHCPKHFHSA-N 370.172 5.371 0 1 FKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 586891593 UJUFJLUURKANCM-FZKQIMNGSA-N 373.294 5.088 0 1 FKAF Oc1cccc(CCCCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 586896447 QSQDXWJDAJKDNJ-UHFFFAOYSA-N 368.786 5.506 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc3ncccc3c2[nH]1 587044463 BUJZLJCFYQKJFY-UHFFFAOYSA-N 374.227 5.102 0 1 FKAF Cc1c(-c2c[nH]c3ccccc23)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587095838 BPGJMUMAOHCJGM-UHFFFAOYSA-N 374.443 6.211 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587113556 NFCNEJHVMUAOOW-QMMMGPOBSA-N 374.193 5.630 0 1 FKAF O=C(CCc1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(F)cc1 587162676 KNTSVCBVGUUXJK-UHFFFAOYSA-N 374.415 5.097 0 1 FKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 587242290 POBBBRJOZNPXJE-UHFFFAOYSA-N 361.367 5.022 0 1 FKAF COc1cccc(-c2c([C@@H](C)CC(C)C)c(C)nc3c2oc2ccccc23)c1 587365101 HSJVQEPWTGQFHH-INIZCTEOSA-N 373.496 7.115 0 1 FKAF CCC[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587370065 BBYSGXZWENJENJ-LJQANCHMSA-N 374.278 5.001 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OC(C)C)CC2=O 587482904 KLPHQDBNFCVXBQ-QFIPXVFZSA-N 354.446 5.013 0 1 FKAF O=C1C[C@@H](c2ccc3c(Cl)nccc3c2)Oc2c1ccc1c2CCCC1 587497746 GJJUKRBULGCTGF-FQEVSTJZSA-N 363.844 5.474 0 1 FKAF O=C1C[C@@H](c2c[nH]c3cc(Cl)ccc23)Oc2c1ccc1c2CCCC1 587502075 STFYQVXHHKPSGF-FQEVSTJZSA-N 351.833 5.407 0 1 FKAF CC(C)(C)[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587505903 QTOUXYWFJZKYBV-QHCPKHFHSA-N 352.449 5.611 0 1 FKAF CCN1c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2C[C@@H]1C 587517255 JZZBHKUQPAASPO-WNSKOXEYSA-N 361.485 5.043 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(C(F)(F)F)cc1 587630222 WGUDBIKADLXZHH-UHFFFAOYSA-N 355.718 5.519 0 1 FKAF CC(C)CC1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810389 CLQYGWNDRJDBNW-CYBMUJFWSA-N 356.323 5.410 0 1 FKAF CC[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587812655 KDBPAUCAIMUWDE-YJYMSZOUSA-N 362.286 5.084 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(c3ccccc3)C2)N1 587823406 PTRUBHARZIJKFT-JYMLRBTQSA-N 374.297 5.069 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587955106 KJCKZJRBGXZYJP-UHFFFAOYSA-N 352.787 5.869 0 1 FKAF CCCCCCNC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)O)cc2)c1 653738979 FQVSKPHJHSJQMD-MRXNPFEDSA-N 369.461 5.210 0 1 FKAF C[C@@H]1CCCCCCCCCC[C@@]12NC[C@@H]1CC(=O)N(C)c3cccc2c31 963038720 YAGZSRRFDKEFEG-YDIMBITNSA-N 368.565 5.486 0 1 FKAF CC[C@H](c1cccc(OC)c1)[C@]1(CC)c2ccc(F)cc2C[C@H]2CCCN21 963106847 NZBPTWIBRUYVQS-KIFXHHALSA-N 367.508 5.654 0 1 FKAF CCN(c1ccc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 1857559431 HYDUUPGGUIYHGP-UHFFFAOYSA-N 366.505 5.595 0 1 FKAF CCCNC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1 1857559538 NLYBMHIULQEBKR-UHFFFAOYSA-N 374.484 5.192 0 1 FKAF CC(C)=CCCC(C)=CCN1C(=O)[C@]2(OCCC=C[C@H]2C)c2ccccc21 1857623144 BBKUPXVFOVUPDN-HYBUGGRVSA-N 365.517 5.534 0 1 FKAF CC1=CCOc2ccc3c(c2)OC(=O)[C@H]2[C@H]3[C@@H](CCC(C)=CCC1)C2(C)C 1857632479 YMOYOBVTCMAAET-CEMLEFRQSA-N 366.501 5.807 0 1 FKAF COc1cccc([C@](C)(O)c2nc(-c3ccc4ccccc4c3)cs2)c1 61898775 SVOCWELEDPWIQJ-QFIPXVFZSA-N 361.466 5.228 0 3 FKAF O=C(O)c1c2c(nc3ccc(F)cc13)-c1cccc(-c3ccccc3)c1CC2 26843611 ZHOPUQNIZZCTCN-UHFFFAOYSA-N 369.395 5.505 0 1 FKAF Fc1ccc(C[C@@H](Nc2nc3cc(F)c(F)cc3o2)c2ccccn2)cc1 28017293 LHUJWZKZQRJFRN-QGZVFWFLSA-N 369.346 5.036 0 1 FKAF O=C(Cn1cnc(-c2ccccc2)c1)c1ccc2c(c1)Cc1ccccc1-2 29338692 TTYLXFKYVISVFB-UHFFFAOYSA-N 350.421 5.004 0 1 FKAF c1ccc([C@@H](c2ccc(Nc3nc4ccccc4o3)cc2)n2ccnc2)cc1 34883843 XLJFOZXCVNHVRH-QFIPXVFZSA-N 366.424 5.406 0 1 FKAF CC(C)(C)c1cc(C(=O)N2CCc3cc(N)ccc32)cc(C(C)(C)C)c1 40762653 PQETYTSCTUUSSD-UHFFFAOYSA-N 350.506 5.067 0 1 FKAF COc1ccc2c(c1)O[C@@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)C2=O 49808246 XCTQFDUXJBEYQJ-UNMCSNQZSA-N 364.828 5.449 0 1 FKAF CC[C@@H](C)[C@@]1(C2CC2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 58583178 UQXDHWQVXMPCQL-BMLIUANNSA-N 360.807 5.401 0 1 FKAF CCCCCOc1cc(N(CC)c2ccc(C(=O)O)cn2)ccc1C(C)C 66112570 JRBXGVGBWIDBDC-UHFFFAOYSA-N 370.493 5.630 0 1 FKAF CCCCCCC1=C(c2ccccc2)[C@]2(OC[C@@H](C)CC)CCC[C@@H]2C1 71319146 RMTGTFVDFHBPQH-ZWSUVBHBSA-N 354.578 7.416 0 1 FKAF CCN(Cc1ccncc1)Cc1coc(-c2ccc(Cl)cc2Cl)n1 72101819 KORPZRMNOWGDPG-UHFFFAOYSA-N 362.260 5.066 0 1 FKAF CCCCCc1cc2ccccc2nc1-c1cn(-c2ccc(F)cc2)nn1 95590279 UCZFLUTZJYNSJY-UHFFFAOYSA-N 360.436 5.354 0 1 FKAF c1cc2cc(-c3ncc(C4(N5CCCC5)CCCCC4)s3)ccc2[nH]1 98208183 MXBHIYKTGVOQMD-UHFFFAOYSA-N 351.519 5.547 0 1 FKAF in-vitro CCCCCCOc1ccc(-n2cnnc2-c2ccccc2Cl)cc1 103273154 GHTNWKLLMZDRTB-UHFFFAOYSA-N 355.869 5.547 0 1 FKAF Oc1ccc(-c2c(-c3ccc(Cl)cc3)oc3cc(O)ccc23)c(O)c1 163320773 LWVZMWXADHMHDW-UHFFFAOYSA-N 352.773 5.537 0 1 FKAF CCSc1nc2c(cc(-c3ccccc3)n2-c2ccccc2)c(=N)s1 169313042 WWXACISREQLKEB-UHFFFAOYSA-N 363.511 5.345 0 1 FKAF CCOC(=O)c1c(-c2ccccc2)oc2ccc(Oc3ccccc3C)cc12 169337526 XPUDAHDXARCDTE-UHFFFAOYSA-N 372.420 6.377 0 1 FKAF N#CN1[C@H](c2ccccc2)CC(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 195097725 VYOXUVLGIYXMKA-QPTUXGOLSA-N 352.437 5.009 0 1 FKAF CCC/C=C\c1oc(CCCCCCCCCCC(=O)OC)c(C)c1C 238772453 GBDWNURZDWSWEU-SSZFMOIBSA-N 362.554 6.936 0 1 FKAF CC(C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257387095 BKWBRNDZAJHCMT-OKZSEPGMSA-N 370.621 6.775 0 1 FKAF endogenous,in-man C[C@]12C[P@](=O)(c3ccccc3)C[C@H]1c1ccccc1[C@@H]2c1ccccc1 299814862 USAJZDLDKCTBFR-IGRGDXOOSA-N 358.421 5.624 0 1 FKAF O=C(O)c1sc(-c2ccccc2)cc1N1C(=O)CCC[C@H]1C1CCCC1 299833954 PVMDWHVFHYOOKR-INIZCTEOSA-N 369.486 5.189 0 1 FKAF CC(C)[C@@H](C)Nc1cc(NC(=O)c2cccs2)cc(C(F)(F)F)c1 299837161 JJOTYXMTNZIMSZ-LLVKDONJSA-N 356.413 5.476 0 1 FKAF Clc1ccc(Br)cc1-c1nc2ccc3ncccc3c2[nH]1 586980149 LIQFPTPOZGAASP-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF Clc1ccc(Br)nc1-c1nc2cc3ccccc3cc2[nH]1 587005337 UERRRLZTSHANEN-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF C[C@@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccccc1C(F)(F)F 587098596 ULRLMNUQCIHWDC-SSDOTTSWSA-N 360.166 5.435 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 587114873 XYTIZHKZLPYANI-QMMMGPOBSA-N 358.285 5.345 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 587163066 GCEBCHFCJFTGOI-UHFFFAOYSA-N 363.339 5.511 0 1 FKAF Cc1cc(F)c2[nH]c(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c1 587163351 OYIOIXLWRBFJFS-UHFFFAOYSA-N 363.367 5.069 0 1 FKAF CCCc1c(-c2ccc(Br)cc2)nc2cccc3c2c1CC3 587207484 FPSWFWXQTUSJAW-UHFFFAOYSA-N 352.275 5.715 0 1 FKAF C[C@@H]1CC(C)(C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587358439 YFOKAYNGHKFPEJ-ODMCQALKSA-N 368.448 5.475 0 1 FKAF CC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423189 TWGBOLUUQNHBOQ-BFUOFWGJSA-N 363.240 5.055 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(O)c(Cl)c1)CC2=O 587462103 WGLWLJJUEGTYRK-INIZCTEOSA-N 367.228 5.064 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccc(F)cc3)o2)Oc2c1ccc1c2CCCC1 587507468 MUKDXYKNMVKMCX-QFIPXVFZSA-N 362.400 5.671 0 1 FKAF COc1cc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587527052 UPWQNOJFEFNXAB-QHCPKHFHSA-N 350.458 5.071 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccsc3)s2)Oc2c1ccc1c2CCCC1 587530798 HPVJBHCDZBVMJN-SFHVURJKSA-N 366.507 6.062 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cccnc3)c(C(=O)c3cccnc3)c2c1 587643000 APSNMHVXMDMSGP-HNNXBMFYSA-N 355.441 5.369 0 1 FKAF CC[C@@]1(c2cccc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587812163 IOLMSLKIBFFDLA-YJYMSZOUSA-N 362.286 5.084 0 1 FKAF CC[C@@H]1C[C@H](C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587818219 CWERCOIRHQXQIG-LZDVPDMXSA-N 354.307 5.164 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCc3ccccc32)N1 587819185 HGFLOBNINTZHAB-RRBXVBTKSA-N 374.297 5.284 0 1 FKAF CCOc1ccc(OCC)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587946452 UIKODUQFCHMWNI-SFHVURJKSA-N 357.425 5.240 0 1 FKAF Cc1nc2[nH]c(/C=C/c3cccc4ccccc34)nc2cc1Br 587968112 KSHFYODJHIRHMU-MDZDMXLPSA-N 364.246 5.352 0 1 FKAF Cc1cc2c(cc1F)[C@H](c1ccc(Oc3ccc(Cl)cc3)cc1)NCC2 962087999 BYGSTFNHWRSDEX-QFIPXVFZSA-N 367.851 5.815 0 1 FKAF Cc1cc(C)cc([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962713250 QPEYZOSEPMNCNH-XMSQKQJNSA-N 355.522 5.070 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(C)=O)c1ccccc1Cl 963232312 RJVIYMNYFAYOSA-OPAMFIHVSA-N 355.909 5.219 0 1 FKAF C(=C/c1ccc(-c2ccccc2)cc1)\CNCc1ccc2c(c1)OCCC2 1772640422 JJXMMCCJEOKKET-GQCTYLIASA-N 355.481 5.482 0 1 FKAF COc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(Cl)c(Cl)c2)cc1 1772642980 SZTCSYNYTIPVPF-HOTGVXAUSA-N 351.273 5.050 0 1 FKAF COc1ccc2c(c1)O[C@H](c1ccc(O)cc1)C[C@H]2C=Cc1ccc(O)cc1 2356612001 RDUYMQQGTUMXQZ-JPYJTQIMSA-N 374.436 5.427 0 1 FKAF COc1ccc(C(=O)O[C@H]2C=C(C)CCC[C@@]3(C)CC[C@@]2(C(C)C)O3)cc1 2356683750 DBJFGKAHADMLDQ-PMVMPFDFSA-N 372.505 5.315 0 1 FKAF COc1cc(=O)oc(C=CC=C[C@@H]2[C@H](C)[C@@]3(C)C=C(C)C=C(C)[C@@H]23)c1C 2356718600 AFLXFQMVMOJBCC-OVNVTHAWSA-N 352.474 5.321 0 1 FKAF CCCCc1c(-c2ccccc2OC)ncn1CCc1ccc(OC)cc1 95564673 SXCVOGGJVVLATE-UHFFFAOYSA-N 364.489 5.153 0 3 FKAF CC(C)[C@H](C)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(F)cc1Cl 776207 XOKQAMTWHBNPHD-NSHDSACASA-N 366.864 5.206 0 1 FKAF Cc1ncn(Nc2cccc(Cl)c2)c1-c1cccc(Br)c1 1491562 RPLVPONIOXJRJW-UHFFFAOYSA-N 362.658 5.150 0 1 FKAF Clc1ccc(CN(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 3639499 AQTHISXTNMUQFG-UHFFFAOYSA-N 373.887 5.542 0 1 FKAF CCC[C@H](C)n1c(CC)nc2c(-c3ccc(Cl)cc3C(C)=O)ccnc21 13479617 OWBGDAIVUQJYPW-ZDUSSCGKSA-N 369.896 5.878 0 1 FKAF CC[C@H](c1ccc(COC)c(O)c1)[C@@H](CC)c1ccc(COC)c(O)c1 27654645 ZKDYEIXJPAYXPN-BGYRXZFFSA-N 358.478 5.078 0 1 FKAF CCCCCNC(=O)C[C@@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)cc1 28758099 UACUCVGKVIWXGH-YADHBBJMSA-N 369.505 5.072 0 1 FKAF CCCC[C@H]1CCc2ccc(OCc3ccc4ccccc4n3)cc2[C@H]1O 28770253 HAAKJHPJDSOUSI-CYFREDJKSA-N 361.485 5.600 0 1 FKAF CCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40940384 YDLVZJHEMPUSFL-NMQWMWRVSA-N 358.610 6.753 0 1 FKAF biogenic CC[C@]1(/C=C(\C)C(=O)O)[C@H](c2ccccc2)C=C(C)[C@@H]2[C@H](C)C[C@@H](C)[C@H]21 40949636 NZZHSJZMHIQBPW-LUGBEJBBSA-N 352.518 6.066 0 1 FKAF CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1(C)C 58504722 KMKBRLPCUKJMSX-CTNGQTDRSA-N 372.915 5.082 0 1 FKAF COc1ccc([C@@]2(CCNc3cccc(OC)c3)CCOC(C)(C)C2)cc1 72110040 GWTRFVYGSRAMHU-QHCPKHFHSA-N 369.505 5.033 0 1 FKAF CSc1ccc([C@@H](O)c2nnc(Nc3cccc(C(C)C)c3)s2)cc1 82082944 REXRWFAFZAXTFF-QGZVFWFLSA-N 371.531 5.209 0 1 FKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCc1cccnc1 96282640 MLYVBAFDBYQXMS-HZJYTTRNSA-N 370.581 6.511 0 1 FKAF Clc1ccc2nc(-c3c[nH]c4ccccc34)cc(-c3ccccc3)c2c1 103240798 LTUZPODERZUPRD-UHFFFAOYSA-N 354.840 6.704 0 1 FKAF in-vitro C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1 137656537 QJVGPUYCCNEQKK-YMJLIAMPSA-N 369.549 5.534 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(Cl)c(C)c4[nH]3)c2)cc1 586881802 ZKWGSRLXMDUTDS-UHFFFAOYSA-N 360.844 6.061 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(F)c(F)c(F)c2[nH]1 587010746 ALLWFNJFWSHDMY-UHFFFAOYSA-N 359.376 5.003 0 1 FKAF CCCc1c(-c2ncccc2C)nc2cccc3c2c1-c1ccccc1C3=O 587107452 SAAOIZBGFYYFJE-UHFFFAOYSA-N 364.448 5.769 0 1 FKAF Fc1ccc(S)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587143187 ZUZAPXLROOIXOZ-UHFFFAOYSA-N 352.459 5.809 0 1 FKAF CCC(C)(C)[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587208186 RAUBWTLCJWRKHZ-HNNXBMFYSA-N 355.481 5.987 0 1 FKAF CCCOc1ccc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497894 CBYXFEOJOYOEEC-NRFANRHFSA-N 370.876 5.714 0 1 FKAF O=C1C[C@@H](c2ccc([C@@H]3CCCCO3)s2)Oc2c1ccc1c2CCCC1 587532776 SOOFNEVHYOMOTR-OALUTQOASA-N 368.498 5.575 0 1 FKAF CCCC/C=C/C=C\[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821610 WMGAYYZITXCTES-KSERDGBHSA-N 352.291 5.466 0 1 FKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 587927050 NIWDUPFQNKIWRQ-HNNXBMFYSA-N 352.478 5.420 0 1 FKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(Br)cc(C)c2[nH]1 587932276 WUMZEOIGSXUCMT-KUHUBIRLSA-N 371.278 5.088 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(Br)cc2[nH]1 587951148 SEIIVBKMYSKKCK-KFNAQCHYSA-N 351.288 5.372 0 1 FKAF Brc1cnc2[nH]c(/C=C\c3cccc4ccccc34)nc2c1 587969439 STSYLEQTWOALGF-HJWRWDBZSA-N 350.219 5.044 0 1 FKAF CC[C@@H](Cc1ccccc1)[C@]1(c2ccccc2)NCCc2cc(C)c(F)cc21 962148864 VLVSZPPSXIYCGQ-BKMJKUGQSA-N 373.515 5.792 0 1 FKAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2ccc(-c3ccco3)nc2)cc1 962662739 CLYMABDQLVOBNU-XMMPIXPASA-N 352.437 5.244 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(-c3ccc(C)cc3)no2)N1 962947464 NLHNWEHSWJPQIY-QMHKHESXSA-N 357.457 5.145 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccc(O)cc3)n2)cc1 1772579295 KRAGBIXROTXKHY-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)cc(C=Cc3ccccc3O)cc1OC2(C)C 2356669398 ADICELGPGMRQFN-ATZDWAIDSA-N 364.485 5.959 0 1 FKAF CC(/C=C/[C@@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O 26476013 HOAYGRVRYIUNNV-KNPWSOMWSA-N 366.545 6.506 0 1 FKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccc(C(F)(F)F)cc2)[nH]1 28220469 NMVWKJISGHGHIH-UHFFFAOYSA-N 352.356 5.624 0 1 FKAF CN(C)CCNc1cc(-c2ccccc2Cl)nc2ccc(Cl)cc12 28640921 GYFAKTJPDAYOFA-UHFFFAOYSA-N 360.288 5.182 0 1 FKAF O=c1ccc2c(-c3ccncc3)cccc2n1-c1c(Cl)cccc1Cl 29125575 DQBNYFHPVPNBRF-UHFFFAOYSA-N 367.235 5.360 0 1 FKAF CCCN(CCC)CCCCn1c2ccccc2c2nc3ccccc3nc21 31848151 JDKZUBKUIQUGBT-UHFFFAOYSA-N 374.532 5.640 0 1 FKAF CN1Cc2sc(C(C)(C)C)cc2[C@H](c2ccc(Br)cc2)C1 38157547 CPTJMPYUXHOOFQ-HNNXBMFYSA-N 364.352 5.385 0 1 FKAF CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(C)(C)C)ccc1N[C@H]2c1ccccc1 49110715 WXIHHOOSOJQUAD-FUKQBSRTSA-N 364.533 5.207 0 1 FKAF COc1cc2c(cc1[C@@H](C)NCCCCc1ccccc1)CCC(C)(C)O2 96932121 NGLKZLMYVLMJIP-GOSISDBHSA-N 367.533 5.472 0 1 FKAF O=C(O)c1ccc2c(c1)nc(Nc1ccc(Cl)cc1)c1ccsc12 167755745 ZCCMSRQBSICBNM-UHFFFAOYSA-N 354.818 5.545 0 1 FKAF COc1cccc(-c2ccc(C(=O)C(C)(C)c3cccc(OC)c3)s2)c1 169351585 ZKYRGJYJMPMPFJ-UHFFFAOYSA-N 366.482 5.593 0 1 FKAF Cc1ccc(C(C)C)c(OCCn2c(=S)[nH]c3ccc(Cl)cc32)c1 205424299 PERNECYIAQKQKX-UHFFFAOYSA-N 360.910 5.863 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)N[C@H](C)CC 231934347 FSBHLSINBYYIIF-XCGAHZEVSA-N 359.598 7.047 0 1 FKAF CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@@H](C)CC(=O)O 238782391 QSEIUMVWJJWZJP-TVZPJVDUSA-N 364.526 5.219 0 1 FKAF CCOC(=O)c1sc(Nc2ccc(C)c(Cl)c2)nc1-c1ccccc1 263620331 CVZNJBZNWNMDTG-UHFFFAOYSA-N 372.877 5.692 0 1 FKAF in-vitro CCCCC[C@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990340 CYZPLWBMDGBHNO-OAHLLOKOSA-N 373.452 5.405 0 1 FKAF CC(C)(C)[C@@H]1CCCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586992201 ZKDJZJRNLMNCSE-CQSZACIVSA-N 371.480 5.693 0 1 FKAF CCCCCc1c(C(=O)O)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587100344 HFURPLFQRIUXLR-UHFFFAOYSA-N 359.425 5.186 0 1 FKAF CC(C)(C)c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120892 YZIRKCFILVVSOH-UHFFFAOYSA-N 358.367 5.423 0 1 FKAF COc1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1C 587129241 UTHRRCYJROOQFU-UHFFFAOYSA-N 371.412 5.608 0 1 FKAF CC(C)Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587206929 PLKCHNITUPYCQE-UHFFFAOYSA-N 363.460 6.312 0 1 FKAF Cc1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cc1Cl 587240961 SQRKXINGHVWLJZ-UHFFFAOYSA-N 373.840 5.244 0 1 FKAF CC[C@@H]1C[C@H](C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349687 COJZHFQBBSCSCT-QFNOHAPUSA-N 368.448 5.475 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(C)(C)C[C@H]3C)c1 587367842 XTSFQOYNSBVLQT-OAHLLOKOSA-N 371.480 6.733 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C)c(Cl)c1Cl)CC2=O 587460019 KQDRQIJAFGUHAP-MRXNPFEDSA-N 365.256 5.666 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1sc3ccccc3c1Cl)CC2=O 587497400 VXNVREYEYKRYLL-INIZCTEOSA-N 372.873 5.919 0 1 FKAF CCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCC 587526396 SYLXNRDKMVNKLE-NRFANRHFSA-N 366.457 5.069 0 1 FKAF Cc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601450 GEGUANWBEDQBRL-QPPBQGQZSA-N 374.436 5.054 0 1 FKAF CCCCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603658 QNMBYZIWVLYTFD-ZJSXRUAMSA-N 374.436 5.438 0 1 FKAF CC1=C([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CCC1 587819474 IHRKTVSPINMECU-KZULUSFZSA-N 366.318 5.690 0 1 FKAF CC1=C(C)C[C@H]([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587824453 WVPNGRWSWPPSQQ-RVZJWNSFSA-N 352.291 5.300 0 1 FKAF CCC[C@@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587844446 ALDCCYAAXPOQHH-APPDUMDISA-N 368.315 5.228 0 1 FKAF Fc1cc2[nH]c(Cc3ccccc3-c3ccccc3)nc2cc1C(F)(F)F 587958480 FNIABLYKTVLMRJ-UHFFFAOYSA-N 370.349 5.979 0 1 FKAF Cn1cc(CCNCCc2ccc(-c3ccccc3)cc2)c2ccccc21 653743743 GZHVZVLFPFEPQR-UHFFFAOYSA-N 354.497 5.220 0 1 FKAF CCCn1c(C)cc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c1C 962693156 AEWBXVXFCMDAIA-JTSKRJEESA-N 372.553 5.107 0 1 FKAF COc1cc(OC)cc(C(=Cc2ccccc2)c2ccc(OC)c(O)c2)c1 1857623285 SXIWLFZFXCXMJJ-UHFFFAOYSA-N 362.425 5.007 0 1 FKAF Oc1ccc2c(c1)oc1c(-c3ccccc3O)cc(-c3ccccc3O)nc12 1857646582 OICCBZHRYQRMSA-UHFFFAOYSA-N 369.376 5.432 0 1 FKAF C[C@H]1C[C@H](C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)CC(C)(C)C1 1857649418 QXUOVFNBNKFRES-QWRGUYRKSA-N 370.440 5.716 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4ccccc4c(C(=O)O)c3C)cc2)c(F)n1 1857757525 WUDOVDJIOWUKRE-UHFFFAOYSA-N 372.399 5.418 0 1 FKAF O=C(c1ccc(Cl)cc1)N1CC[C@H]2C[C@H]1c1cc(-c3ccccc3)ccc12 102803273 HPTURIHUUJWJEK-CVDCTZTESA-N 373.883 6.082 0 3 FKAF CCCCN(CCCC)C[C@@H](O)c1cc2ccccc2c2ccsc12 2008244 ZVUGFVRUENWPOO-OAQYLSRUSA-N 355.547 5.990 0 1 FKAF Cn1cc(-c2ccccc2)c([C@@H](c2ccc3ccccc3c2)n2ccnc2)c1 5893275 ZSONGYITQGNZIP-RUZDIDTESA-N 363.464 5.680 0 1 FKAF O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(F)cc1 45321662 AAGFPQMUULEKGM-UHFFFAOYSA-N 365.795 5.275 0 1 FKAF CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CCN(C)C 49066653 HWJACWVSWOZCGZ-FFVWILKPSA-N 355.566 5.379 0 1 FKAF Cc1cccc(Cn2c([C@@H](N)C(C)C)nc3cc(Cl)c(Cl)cc32)c1 72118108 JDTGLHTYFIVTON-SFHVURJKSA-N 362.304 5.356 0 1 FKAF Cc1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1 72170925 NPEQRFDAEMKKAV-VOTSOKGWSA-N 361.329 6.718 0 1 FKAF CCNc1cc(Cl)cc2c1[nH]c1cnc(NCc3ccccc3)cc12 95553006 OEDNQRGGHYWSDI-UHFFFAOYSA-N 350.853 5.413 0 1 FKAF Cc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)o1 103872427 PMAGJJFGMZWYNU-XDHUDOTRSA-N 370.452 6.217 0 1 FKAF Oc1c(Br)cc(/C=C/c2ccc(F)cc2)cc1Br 139357402 PEZKESPZNJDXIQ-OWOJBTEDSA-N 372.031 5.227 0 1 FKAF Cc1cncc(C2=CC[C@H]3[C@@H]4C[C@H](O)[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)c1 141006538 COMPHWCPGLBRDR-CCVWCNBXSA-N 365.561 5.787 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)C[C@@]43C)[C@@H]1CC=C2c1cncc(F)c1 169267907 ODFCIEVQPDCQMI-ZJPLSKSFSA-N 355.497 5.228 0 1 FKAF CCC/C=C\CSC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 261161125 QXBFRDGMYMBQMJ-JSLGZMTKSA-N 352.540 5.071 0 1 FKAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccncc3)CC[C@@H]12 299825720 JNMJJHBIWLUSGN-QBUXITHQSA-N 363.501 5.436 0 1 FKAF CC(C)(C)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2n1 587016715 AVBKVHUPQBMLPA-UHFFFAOYSA-N 369.881 5.094 0 1 FKAF Cc1ccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1C(F)(F)F 587094545 BIILGXRHXISEHI-UHFFFAOYSA-N 360.166 5.183 0 1 FKAF Fc1cccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1C(F)(F)F 587097176 GDGJMMPLCNVXBH-UHFFFAOYSA-N 350.102 5.090 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4c(C)ccc(C)c4[nH]3)ccc2F)cc1 587139713 RDZVZUZRCQGCDA-UHFFFAOYSA-N 358.416 5.855 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(F)cc3[nH]2)c1 587159182 LPDBMEWUNSWQNH-UHFFFAOYSA-N 350.368 5.108 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587161401 NHWSPFLFZYDEFI-RBUKOAKNSA-N 356.400 5.204 0 1 FKAF Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587378732 WHKIJYZZRJOYGT-TZIWHRDSSA-N 368.429 5.176 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc4oc5ccccc5c4c1)[C@@H](C2)C3=O 587452099 DEJNNPYQNNQPFK-GAJHUEQPSA-N 356.377 5.083 0 1 FKAF O=C1C[C@@H](c2cc(F)ccc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587510640 WPLQNCRSCIIAIW-SFHVURJKSA-N 364.338 5.430 0 1 FKAF Cc1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587511463 GTZCJLPYRJGANQ-XMMPIXPASA-N 371.480 5.679 0 1 FKAF Cc1c(-c2ccc(Br)cc2O)[nH]c2ccc(F)c(Cl)c12 587628655 QHTSUWFEXRGOCE-UHFFFAOYSA-N 354.606 5.404 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCc3ccccc32)N1 587818146 CDKLQOXEBBYVCA-ADYAMRHXSA-N 374.297 5.284 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Cl)nc1 587855136 JMEBLIZCHGFPMJ-UHFFFAOYSA-N 368.651 5.293 0 1 FKAF O=C(Cc1c(Cl)cccc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587871822 CKAQWHYMHFIFTH-UHFFFAOYSA-N 363.175 4.985 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCOc3c(C)cc(C)cc32)N1 962947579 NUPAUWGKWAEDHO-MZNJEOGPSA-N 360.501 5.125 0 1 FKAF CN(C/C=C/c1ccccc1C(F)(F)F)Cc1ccc2c(c1)OCCC2 1772570860 MLUAPHHGBURHKA-QPJJXVBHSA-N 361.407 5.176 0 1 FKAF CC1=CCC(C)(C)C=CC[C@]2(C)Oc3cc(O)cc(C)c3C[C@H]2C[C@H]1O 2356690264 QTNDIUYXNQSFIE-WGGBDISSSA-N 356.506 5.084 0 1 FKAF CC(C)=CCc1c(O)cc2c(c1C=Cc1ccccc1)C[C@@H](O)C(C)(C)O2 2356782835 KKSDBZMBXBGTRS-HSZRJFAPSA-N 364.485 5.146 0 1 FKAF Cc1ccc2[nH]c3c(c2c1)CCOC31CCC(c2ccccc2)(N(C)C)CC1 3950146 UUVKKZIRRBVUFP-UHFFFAOYSA-N 374.528 5.275 0 1 FKAF CC(C)(C)C(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 15204514 SLOFBKMZOOTTDZ-AAGQGRHCSA-N 356.506 5.206 0 1 FKAF biogenic Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(Cc2ccccc2)C3)cc1 27768267 JIWAHFYNWUGTNG-UHFFFAOYSA-N 360.407 5.425 0 1 FKAF CCCC[C@]1(CCCNC)Cc2ccccc2N(c2ccc(C)cc2)C1=O 28525906 ZTNSUUWAQMMYEF-DEOSSOPVSA-N 364.533 5.392 0 1 FKAF CC(C)(C)CCCCCCCCCCCCNc1ccc(C(=O)O)cc1 29216836 AKPCKQCEIZWRDW-UHFFFAOYSA-N 361.570 7.134 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H]1C[C@@H]1O 40940404 LZHCSJBKBARIFQ-NILUWUTCSA-N 359.554 5.382 0 1 FKAF in-vivo CCCCN(C(=O)C1CCCCC1)c1nnc(-c2cccc(F)c2)s1 84614872 RHRZUSLCVPROQS-UHFFFAOYSA-N 361.486 5.058 0 1 FKAF CC(=O)c1cccc(-c2ccc(CN(C)CC3=CC[C@H]4C[C@@H]3C4(C)C)cc2)c1 95559483 OFZRQPFWQXICPT-DQEYMECFSA-N 373.540 5.980 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(C)c(Cl)c2)n1 141891068 KPTOTTCXYPKDIL-HXUWFJFHSA-N 363.892 5.903 0 1 FKAF c1ccc(CCN2CCC(c3ccccc3Cc3ccccc3)CC2)cc1 141965139 ANFZTPZTMCRMTF-UHFFFAOYSA-N 355.525 5.700 0 1 FKAF O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccsc12 167753717 AEULTQOOSIRJOK-UHFFFAOYSA-N 372.808 5.684 0 1 FKAF CCCCN(CCCC)C[C@@H](O)c1cnc2cc(Cl)ccc2c1Cl 169338256 QMTJOIIBZOETTJ-GOSISDBHSA-N 369.336 5.477 0 1 FKAF CCOc1ccc([C@H]2CC(C(C)(C)C)=NN2c2ccc(C(=O)O)cc2)cc1 203670310 IQVKJUFCHCHVNQ-LJQANCHMSA-N 366.461 5.137 0 1 FKAF CCO[C@H](CC(=O)O)c1ccc(Oc2ccc(Cl)c3ccccc23)cc1 473109485 SDBYHMMVUKTDNS-HXUWFJFHSA-N 370.832 5.838 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586878001 ABENOMADLFBPDW-UHFFFAOYSA-N 353.425 5.090 0 1 FKAF c1ccc(COc2ccc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)cc1 586885714 CTCCHYORZMRFOA-SQJMNOBHSA-N 366.464 5.513 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 586896850 RJHZQORKCDDZON-UHFFFAOYSA-N 354.331 5.621 0 1 FKAF Cc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587039325 CTPUZNQWDPYCDC-UHFFFAOYSA-N 357.482 5.717 0 1 FKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(F)c(F)cc4[nH]3)c2)c1 587048524 CCBYBEANASJRKX-UHFFFAOYSA-N 368.770 5.641 0 1 FKAF CCc1ccc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2c1 587076004 NSLAHXMDUCFFHV-UHFFFAOYSA-N 367.836 5.321 0 1 FKAF Clc1nc(-c2nc3cccc(Br)c3[nH]2)cc2ccccc12 587086231 YENLTNVUERNIAV-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF C[C@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccccc1C(F)(F)F 587098597 ULRLMNUQCIHWDC-ZETCQYMHSA-N 360.166 5.435 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](C(C)C)CC4)-c1ccccc1C2=O 587100304 FYZZSYUZSCTENU-MRXNPFEDSA-N 355.481 5.906 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587160347 BNBQHNNVNOTQMH-NXEZZACHSA-N 367.168 5.014 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ncccc2C3)c1 587363550 QSRNIYTVXDFUMR-UHFFFAOYSA-N 364.404 5.623 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(C)cc4)cc1)[C@@H](C2)C3=O 587443775 BVNLTMHFXBBMTC-SQJMNOBHSA-N 370.448 5.333 0 1 FKAF O=C1C[C@]2(CCC[C@H]2CCc2ccccc2)Oc2c1ccc1c2CCCC1 587521933 DRHAZNSLJKWOLX-CPJSRVTESA-N 360.497 5.702 0 1 FKAF CC(C)(C)c1ccc2c(c1)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587526842 TYPKPQJVEFVGIH-SANMLTNESA-N 374.524 6.060 0 1 FKAF O=C(Nc1ccccc1)c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587631229 JGZRHZXNRORXKG-UHFFFAOYSA-N 364.807 5.880 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc4ccccc34)c(CN(C)C)c2c1 587642583 NDXZCCZAEZBGIF-QGZVFWFLSA-N 356.513 6.563 0 1 FKAF Cc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587691718 DFAQPASKEJBLOQ-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF Cc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587813808 DWSGVZQQRYUFPI-BLVKFPJESA-N 362.286 5.003 0 1 FKAF CSc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587951384 ZDKJYOVFYUPBAE-SDNWHVSQSA-N 358.466 6.248 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2cc3cn[nH]c3cc2[nH]1 587957447 LGRRRKFXXAHZFF-UHFFFAOYSA-N 370.497 5.357 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 587958701 GIZYOJHCUZOBGC-UHFFFAOYSA-N 366.386 6.148 0 1 FKAF FC(F)(F)Oc1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2cc1Cl 587962171 VOWGXZQOLUYSRZ-RYUDHWBXSA-N 366.770 5.461 0 1 FKAF CCCCCC[C@]1(C(C)C)NC2(CC2)Cc2ccc(Br)cc21 961614445 LUXXMVYZWUMSGD-HXUWFJFHSA-N 364.371 5.949 0 1 FKAF COc1ccc(C[C@H](C)[C@H]2NCCc3cccc(-c4ccccc4)c32)cc1 962666903 UARLKDZHONFUGO-AVRWGWEMSA-N 357.497 5.428 0 1 FKAF Cc1ccc2cc([C@H]3NCCc4cccc(-c5ccccc5)c43)c(O)nc2c1 962668860 OGLXFYJMXHLFFQ-XMMPIXPASA-N 366.464 5.151 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(Cc2c(Cl)cccc2Cl)N1 962946825 JMSMRCXRCNUXDO-YEJXKQKISA-N 373.327 5.857 0 1 FKAF Cc1ccc(N2C(=N)C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 1857621448 XZRNABVDONVHRB-UHFFFAOYSA-N 364.257 5.053 0 1 FKAF CCC=CCC=CCC=CCC=CCCCCCCc1cc(O)cc(O)c1 2356657540 JTGHOMGAWPTPRU-UHFFFAOYSA-N 368.561 7.396 0 1 FKAF CC[C@@H](C)CCCCCCCCCCCCC[C@H](O)CC1=CC(=O)OC1 2356800003 POQVWCOTAJKMEE-IRLDBZIGSA-N 366.586 6.338 0 1 FKAF C[C@H](NC(=O)c1ccc2nc(CCc3ccccc3)oc2c1)c1ccccc1 8611051 HZJXHPWFHHYHDP-KRWDZBQOSA-N 370.452 5.104 0 1 FKAF CCCSCC1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21 14968643 OTAVWHYNRBBEDJ-UHFFFAOYSA-N 353.531 6.093 0 1 FKAF Cc1cc(C)cc(-n2cc(-c3ccccc3)c3c(=O)oc4ccccc4c32)c1 26646691 DIDRLTMFZKWKSA-UHFFFAOYSA-N 365.432 6.021 0 1 FKAF CCCCOc1ccc(NC(=S)Nc2ccc(CCCC)cc2)cc1 34892406 HSFPSXFQGVEHSX-UHFFFAOYSA-N 356.535 6.017 0 1 FKAF Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(=O)[C@@H]2C 35900221 PDCRQOSNBYFZJI-GFCCVEGCSA-N 352.865 5.673 0 1 FKAF C[C@H](CC[C@@H]1[C@](C)(OC=O)CC[C@H]2C(C)(C)CCC[C@]21C)CC(=O)O 35995993 RJTQRENDRIOHRF-ZHOIUHGQSA-N 352.515 5.052 0 1 FKAF biogenic Cc1ccc(C[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 39233851 MXVGNFLAZDGHPE-RUZDIDTESA-N 362.561 5.229 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC1CC1 40861037 JGXUHTRSFANYPN-DOFZRALJSA-N 357.582 6.658 0 1 FKAF c1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCCCC5)cc4)cc3)nc2c1 45322816 WSEGCAAHYHWHJY-UHFFFAOYSA-N 367.496 5.883 0 1 FKAF CCc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2ccccc2C)s1 82177290 SADUSYHRXSMWRW-UHFFFAOYSA-N 366.534 5.230 0 1 FKAF CNC[C@H]1CN1C[C@@]12CC3=C(C)CC[C@]3([C@H](C)CC13CCCC3)C2(C)C 85548292 WRAPTTSOOBLOEP-JOLNIJMXSA-N 356.598 5.003 0 1 FKAF biogenic,in-vitro CN(CCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 96922017 LBBXDOHVWNDUIR-ZEQRLZLVSA-N 351.534 5.122 0 1 FKAF CN1[C@H]2CC[C@H]1CC(O[C@@H](c1ccccc1)c1ccc(C(C)(C)C)cc1)C2 140111585 IGNVGOLMZFBAMQ-FIXSFTCYSA-N 363.545 5.715 0 1 FKAF Cc1ccc(C(=O)Nc2ccc([C@H]3CC[C@H](N4CCC[C@@H]4C)C3)cc2)cc1 147014201 ZTZCKWZWWFWOMI-HARLFGEKSA-N 362.517 5.368 0 1 FKAF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)[C@@H]1C(=O)C[C@@H](C)CC1=N2 169722018 FMSPMCATPJWWEM-IOSSYPJHSA-N 370.855 5.642 0 1 FKAF CC(=O)c1c(O)cc(O)c(C/C=C(/C)CC/C=C(/C)CCC=C(C)C)c1O 209772401 NUSMNXVXTBPRRY-LRRBOCHQSA-N 372.505 5.968 0 1 FKAF Cc1c(-c2ccc(Cl)cc2)noc1-c1ccc2c(c1)CN(C(C)C)C2=O 299856891 KSFFHJJJSMATSZ-UHFFFAOYSA-N 366.848 5.335 0 1 FKAF c1ccc(Oc2ccc(-c3cncc(-c4ccc5[nH]ccc5c4)n3)cc2)cc1 473166261 FUUYCVZXOQCRIT-UHFFFAOYSA-N 363.420 6.084 0 1 FKAF CCCCC1CCC(c2nc3cc(Br)c(C)c(C)c3[nH]2)CC1 586888273 IJNGYYGIHNLBIT-UHFFFAOYSA-N 363.343 6.406 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2)cc1 586898734 MQQGJYXHHMOAIP-UHFFFAOYSA-N 354.331 5.621 0 1 FKAF COc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cn1 587069534 COARNCXKUAXMLN-UHFFFAOYSA-N 371.227 5.002 0 1 FKAF FC(F)(F)Oc1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1 587088086 TYOGFKSQFOPSRQ-UHFFFAOYSA-N 351.715 5.263 0 1 FKAF COc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(C(F)(F)F)c1 587095737 SPGOLQGBLGBMOJ-UHFFFAOYSA-N 361.150 5.564 0 1 FKAF Cc1nc2cccc3c2c(c1Cc1ccc(F)c(F)c1)-c1ccccc1C3=O 587104049 QFQLFRWREAFKSY-UHFFFAOYSA-N 371.386 5.624 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587160924 INSJKAKDXRAHTP-NEPJUHHUSA-N 365.633 5.389 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](c1ccccc1)CC3 587206671 GMOQHVWOBMOREQ-KRWDZBQOSA-N 361.444 5.719 0 1 FKAF Cc1nc(C(C)C)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587206830 ADWKIWPMCJOIOW-UHFFFAOYSA-N 370.477 6.002 0 1 FKAF CC(C)(C)[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348623 AGYFLYZMWXTYQY-CNNODRBYSA-N 354.421 5.085 0 1 FKAF CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370719 AWOKAZCGIDIMKD-PZJWPPBQSA-N 368.429 5.257 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(C4CCCCC4)c1C)[C@@H](C2)C3=O 587430005 FMMHPBSNHBURKS-CVDCTZTESA-N 365.473 5.107 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccccc4)c(C)c1)[C@@H](C2)C3=O 587440212 BFHIXBKCOQLFFO-CYFREDJKSA-N 372.420 5.285 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c(C)ccc(C)c31)CC2=O 587476695 AEPHUZNKZDOJRX-QHCPKHFHSA-N 350.458 5.159 0 1 FKAF O=C1C[C@H](c2c(O)[nH]c3cccc(Cl)c23)Oc2c1ccc1c2CCCC1 587496946 CTCRRGFFRASBBS-QGZVFWFLSA-N 367.832 5.112 0 1 FKAF CC(C)=CC[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601223 FTLYTSSPFSESAC-NFBKMPQASA-N 364.441 5.249 0 1 FKAF Cc1ccc([C@H](C)[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587818746 JCIOTZXMZMRHBH-WTOJCKNJSA-N 362.286 5.276 0 1 FKAF CCC[C@@]1(c2ccsc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587855326 UPSIMBHRPIWMQO-DIFFPNOSSA-N 368.315 5.228 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc(OC)c(Cl)cc4[nH]3)ccc2c1 587934838 GJARBHDDOGKMBO-GFCCVEGCSA-N 366.848 5.539 0 1 FKAF Fc1c(Br)ccc2nc(/C=C\c3cccc4ccccc34)[nH]c12 587970175 ZJSIITBPFUARHG-FLIBITNWSA-N 367.221 5.788 0 1 FKAF C[C@@]1(Cc2cccc(Cl)c2)c2ccsc2CCN1Cc1ccco1 962702587 FHRIGIUQIVKOAP-HXUWFJFHSA-N 357.906 5.511 0 1 FKAF CC(C)[C@@]1(O)CC[C@@H](C)[C@H]2CCC(COC(=O)C=Cc3ccccc3)=C[C@@H]21 2356374980 LSWGCBZTDVMNJK-MWIHYIROSA-N 368.517 5.013 0 1 FKAF C[C@@]1(Oc2ccc(Cl)cc2)CCN(Cc2csc3ccccc23)C1 61925813 QULHRSNYAOMCTR-HXUWFJFHSA-N 357.906 5.598 0 3 FKAF C[C@H](c1cc(=O)[nH]c(SC2CCCCC2)n1)c1cccc2ccccc12 13863475 WUTDUYRUVOILRH-HNNXBMFYSA-N 364.514 5.500 0 1 FKAF CC(=O)N1Cc2cc(-c3ccccc3)ccc2CCc2cc(Cl)ccc21 28571257 QHNGWPZYHGZAOY-UHFFFAOYSA-N 361.872 5.659 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CNCC)C[C@@H]21 29227183 DXIOOQNKRUFXHA-RTBURBONSA-N 357.538 5.325 0 1 FKAF CCn1c2ccccc2c2c3c(ccc21)CN(Cc1ccc(C)cc1)CO3 49803874 IBFUBYZOPVWJMV-UHFFFAOYSA-N 356.469 5.475 0 1 FKAF c1ccc(CCCCNc2ccnc(NCCCCc3ccccc3)n2)cc1 72183155 ADGLRUWAFVEEJK-UHFFFAOYSA-N 374.532 5.346 0 1 FKAF C[C@@]12C=C(/C=C/C=C/c3ccco3)[C@@](C)(C1)[C@@H](/C=C\c1ccco1)CC2=O 169332501 UQMOFGNDJAVHLT-RHESBHSQSA-N 360.453 6.087 0 1 FKAF CC(C)c1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)n[nH]1 299869190 UETDSPNNWDYAFB-UHFFFAOYSA-N 364.380 5.182 0 1 FKAF COc1ccc2c(c1)SCc1cnc(Nc3ccc(Cl)cc3)nc1-2 473145046 HQIGRNOEKLAIHC-UHFFFAOYSA-N 355.850 5.155 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1ccc(Cl)cc1C4)-c1ccccc1C2=O 586991820 AXEIUJDYZBGPTK-UHFFFAOYSA-N 367.835 5.979 0 1 FKAF Cc1cc(Cl)cc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c12 587049727 FEJFEHUQRSOSNE-UHFFFAOYSA-N 362.260 5.440 0 1 FKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(C)cc(Cl)cc2[nH]1 587066007 DGYIMNRHSCDNCG-UHFFFAOYSA-N 356.256 5.944 0 1 FKAF COc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1F 587083626 CMILRTWSYXIKLI-UHFFFAOYSA-N 353.784 5.093 0 1 FKAF N=C1c2ccccc2CN1c1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587211479 FPECCNZHIYNDNM-UHFFFAOYSA-N 361.448 5.346 0 1 FKAF Cc1cc2c(cc1-c1cc3c4c(cccc4n1)CC3)C(C)(C)C[C@@H](C)C2(C)C 587212529 BSTZVVXCTJXUJB-QGZVFWFLSA-N 369.552 6.904 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2C2CC2)[C@@H]1c1ccc(F)cc1 587355112 SPRLVZVZFRHAQC-WPYKKVEZSA-N 366.432 5.229 0 1 FKAF CC(C)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356727 RJYNWBOQDGCNIN-DWLFOUALSA-N 354.421 5.085 0 1 FKAF CCN1/C(=C\c2cc3c4c(cccc4n2)CC3)Sc2ccc(OC)cc21 587358188 BGRWMXHRVCXXNM-CIAFOILYSA-N 360.482 5.273 0 1 FKAF CCCc1c(C(C)C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587365664 NLXYTQPXAVEMRR-UHFFFAOYSA-N 359.469 6.733 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(c3ccc(Cl)cc3)CC1)O2 587379728 KIRCZLYELSDOMM-UHFFFAOYSA-N 355.865 5.292 0 1 FKAF CC[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587402348 BYVGGIWQEGJEJT-DEOSSOPVSA-N 357.453 5.515 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(C(C)(C)c1ccccc1)CC2=O 587490739 UNPGQNJNYUWPTF-HSZRJFAPSA-N 352.474 5.437 0 1 FKAF O=C1C[C@H](c2nc3ccc(F)cc3s2)Oc2c1ccc1c2CCCC1 587507743 NYRZYKONAKGJFT-QGZVFWFLSA-N 353.418 5.021 0 1 FKAF O=C1C[C@H](c2ccc(OC3CCCC3)cc2)Oc2c1ccc1c2CCCC1 587522483 HXRPIOKBXDXJHV-HSZRJFAPSA-N 362.469 5.593 0 1 FKAF O=C1C[C@@H](c2cc(-c3ccccc3)cs2)Oc2c1ccc1c2CCCC1 587530587 FWRTYMIIRMHGTE-NRFANRHFSA-N 360.478 6.000 0 1 FKAF Cc1ccc2c(c1C)OCCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587535794 NYIIUWJABQOQPU-XMMPIXPASA-N 362.469 5.216 0 1 FKAF Fc1ccc2[nH]c(-c3ccccc3)c(Nc3ccc(Cl)cc3)c2c1Cl 587629242 ZSTDRAAFOOMBDU-UHFFFAOYSA-N 371.242 7.024 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3cn(CC)nc3C)c2c1 587642401 NGYMYCQHIMOYKW-NSHDSACASA-N 359.420 5.375 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2CCCCCC2)N1 587818194 GPCIZXZJFWWVCN-MLGOLLRUSA-N 354.307 5.524 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C3CCC3)cc2)N1 587823378 PISKERWDKCFVAC-MPBGBICISA-N 374.297 5.479 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2Cl)N1 587844342 NBDWRTBJONQSPI-VXJOIVPMSA-N 374.706 5.101 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cccc(Br)c2[nH]1 587951751 ZWEOHBVKFXNIHR-JMSVASOKSA-N 351.288 5.372 0 1 FKAF COc1ccc2c(c1)[C@H](C1=Cc3cc(Cl)ccc3OC1)N(C(C)C)CC2 962090323 KOCXEFQJQYHOLJ-QFIPXVFZSA-N 369.892 5.132 0 1 FKAF CCC(=O)Nc1ccc([C@]2(C)NCCc3cccc(-c4ccccc4)c32)cc1 962673551 ZCYUGUBDCUSIDV-VWLOTQADSA-N 370.496 5.111 0 1 FKAF Oc1ccc(-c2ccc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)s2)cc1 963097802 HMVYWITYPSQVJC-VGSWGCGISA-N 365.473 5.370 0 1 FKAF CN(C)Cc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 1857560776 WWMLMXHVKXKZJF-UHFFFAOYSA-N 361.876 5.383 0 1 FKAF CC(=O)OCC[C@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]12C 2356411004 GOELMEMIXUGWKT-YCSCGVHMSA-N 350.543 5.126 0 1 FKAF Cc1ccccc1O[C@@]1(C)CCN(Cc2ccc(-c3ccccn3)cc2)C1 61895702 ZCRRNCCNJMRGFI-DEOSSOPVSA-N 358.485 5.100 0 3 FKAF C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCSCF)[C@@H]1CCC2=O 13746614 PHQXDOFMEVPXKC-IDPBPBMLSA-N 362.510 5.038 0 1 FKAF CCCCCc1cc2c(c3c1CCCO3)[C@@H]1C=C(C)CC[C@@H]1C(C)(C)O2 26983714 ZSWRBXLXOXOSOJ-UXHICEINSA-N 354.534 6.355 0 1 FKAF Cc1c(Sc2ccc(Cl)cc2)c2cc(Cl)ccc2n1CC(=O)O 38698319 XYCNWYSSGJBPJP-UHFFFAOYSA-N 366.269 5.492 0 1 FKAF O=C(O)c1ccc(Nc2ccnc3ccc(-c4ccc(Cl)cc4)cc23)cc1 58626622 VVRQGWBKWDKSQY-UHFFFAOYSA-N 374.827 5.997 0 1 FKAF CN1CCC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 169309521 PMHZPCFHCUJHCB-TYPLQMOASA-N 374.572 5.277 0 1 FKAF COc1cc(C(=O)O[C@H]2/C=C(\C)CC/C=C(/C)CC[C@H]2C(C)C)ccc1O 169336983 PQAYAZRCPJMQRB-CLHSUAGBSA-N 372.505 5.665 0 1 FKAF CC(=O)OCC[C@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 238777732 VPMIZQQBIXRMPF-XRYRHKQGSA-N 350.543 5.510 0 1 FKAF c1ccc(-c2cc(OCCCN3CCCCC3)nc(-c3ccccc3)n2)cc1 299826163 ZGONPYARHGTZDM-UHFFFAOYSA-N 373.500 5.065 0 1 FKAF Cc1ccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc1C 473137670 ZFIKIZDRPXHCGO-BUHFOSPRSA-N 353.421 5.274 0 1 FKAF Brc1c[nH]c2nccc(-c3nc4cc5ccccc5cc4[nH]3)c12 587003065 JTURWLHWZPFHBK-UHFFFAOYSA-N 363.218 5.022 0 1 FKAF COc1cccc(-c2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(Cl)c2)c1 587051532 DGUIIZVXZGSVCJ-UHFFFAOYSA-N 362.860 6.176 0 1 FKAF C[C@@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1C(F)(F)F 587097578 LHXFXJLAMGVXGM-MRVPVSSYSA-N 359.178 6.040 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H](C(C)(C)C)CCC4)-c1ccccc1C2=O 587100465 KWPOLQFTRGURII-LJQANCHMSA-N 355.481 6.221 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4ccnc(Cl)c4[nH]3)c(Cl)c2)cc1F 587146095 ZGHBVCSXGDJZRO-UHFFFAOYSA-N 372.230 6.046 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3c(Br)nccc3[nH]2)cc1 587164453 RBAKIRJJRPSNRS-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF Cc1nc2cccc3c2c(c1Cc1ccc(O)cc1)-c1ccccc1C3=O 587206529 LFSPNELWSQKDFI-UHFFFAOYSA-N 351.405 5.051 0 1 FKAF O=C1c2ccccc2-c2cc(-c3nc4c(s3)CCCC4)nc3cccc1c23 587207655 IIMCTMGDBFAGMD-UHFFFAOYSA-N 368.461 5.449 0 1 FKAF Cc1c(F)ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c12 587247553 OOKFVQLTGDZXCN-UHFFFAOYSA-N 361.420 5.425 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]3CC(=O)O)c1 587366927 SESRBUKRTCUTRG-CQSZACIVSA-N 373.408 5.161 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C)[C@@H](C)C3)c1 587366975 PEEPOKPPPMOZHN-LSDHHAIUSA-N 357.453 6.027 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C(C)(C)C3)c1 587367524 SPUMIGWGVZIUPZ-UHFFFAOYSA-N 371.436 5.351 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(Cl)cc3F)o1)O2 587384810 JEVCYYCZTISDRM-IBGZPJMESA-N 371.795 5.336 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(C)C)c(C)c1)CC2=O 587488451 ZTGWNOVMWASASM-NRFANRHFSA-N 354.446 5.147 0 1 FKAF O=C1C[C@]2(CCCc3c(Cl)cccc32)Oc2c1ccc1c2CCCC1 587497754 GKESYLUMPNZEGK-QFIPXVFZSA-N 352.861 5.416 0 1 FKAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1C(F)F 587509778 WHQSVEWNCVTSGZ-GOSISDBHSA-N 358.384 5.218 0 1 FKAF O=C1C[C@H](c2ccc(C(=O)C3CCCC3)cc2)Oc2c1ccc1c2CCCC1 587522557 FSZOTSVDZBIALU-HSZRJFAPSA-N 374.480 5.645 0 1 FKAF COc1ccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 587526363 SOIAXHGUZXPSLC-QHCPKHFHSA-N 358.437 5.434 0 1 FKAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2cccnc2)cc1 587632958 SPRBLURFWVJGCU-UHFFFAOYSA-N 352.796 5.698 0 1 FKAF CC(C)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587821053 SQKVKTBAPKIVOI-BLVKFPJESA-N 362.286 5.335 0 1 FKAF C/C(=C\c1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821798 XTVFKNIAJYRVLV-HNJOZXQCSA-N 360.270 5.267 0 1 FKAF FC(F)(F)c1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2cc1Cl 587968653 MZUJKJYJHOVADT-HJWRWDBZSA-N 372.777 6.559 0 1 FKAF Cc1c(F)ccc2c1C1(NCC2)C(C(C)(C)C)=CC(C)(O)C=C1C(C)(C)C 962088031 CAWFEIBURHLSNW-UHFFFAOYSA-N 371.540 5.185 0 1 FKAF COc1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c1 1772653677 MPIMPKUIJBYSNZ-UHFFFAOYSA-N 352.821 5.660 0 1 FKAF FC(F)(F)Oc1cccc(-c2cnc3ccc(-c4cccs4)nn23)c1 1857587646 FHRPQKRXEWFRLC-UHFFFAOYSA-N 361.348 5.023 0 1 FKAF CCCCC[C@H](O)C=CCCCCC[C@H](CCc1ccccc1)CC(=O)O 2356776416 HVWLGPCYLSPKLN-PKTZIBPZSA-N 374.565 6.158 0 1 FKAF CCCC/C=C/CCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 27761959 YUARJAOYWUNVQS-MQFDZRFESA-N 354.534 6.682 0 1 FKAF CC(C)(C)c1ccc([C@@H]2NCc3c(Cl)cccc3-n3cccc32)cc1 28467685 SCANTWNKVLLUST-NRFANRHFSA-N 350.893 5.621 0 1 FKAF Cc1cc2nc(C(=O)O)ccc2c(C)c1Oc1ccc(O)c(C(C)C)c1 28570773 QFHPGLKTTMRBBJ-UHFFFAOYSA-N 351.402 5.171 0 1 FKAF CN1[C@H]2CC[C@@H]1CC(Oc1ccc(C(F)(F)F)cc1)(c1ccccc1)C2 28875965 RZEHFLWNOJILBD-UFRUDQCGSA-N 361.407 5.236 0 1 FKAF O=C(NCc1ccc2ccccc2c1)Oc1cccc(-c2ccccc2)c1 42878257 VVPJFBDRRNTRBA-UHFFFAOYSA-N 353.421 5.795 0 1 FKAF CC[C@@H](C)Nc1cc(-c2c(-c3ccc(F)cc3)noc2C(C)C)ccn1 45260910 ONBWBXOALQFMCF-CQSZACIVSA-N 353.441 5.877 0 1 FKAF CCC[C@H](N)c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(C)c1 72118614 WYBFYYQFXIRONB-INIZCTEOSA-N 362.304 5.500 0 1 FKAF Cc1ccc(-c2nc(CNC(c3ccccc3)c3ccccc3)co2)cc1 72185371 QDKQDFNMPADGLP-UHFFFAOYSA-N 354.453 5.529 0 1 FKAF O=C1CCCc2nn(-c3ccccc3)c(-c3ccc(Cl)c(Cl)c3)c21 82158413 IUDIAVMEQUNUPB-UHFFFAOYSA-N 357.240 5.365 0 1 FKAF Oc1cccc(-c2cc(-c3ccsc3)nc(-c3ccccc3Cl)c2)c1 95554155 RHFTXPHJEVNJQL-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF FC(F)(F)c1ccc(C2(OCc3ccccc3)C[C@H]3CC[C@H](C2)N3)cc1 101300657 MYNMNBPZOKCPBO-RTBURBONSA-N 361.407 5.032 0 1 FKAF C[C@H](N=O)c1ccc(Sc2cc([C@]3(C)COC(C)(C)O3)cs2)cc1 169713710 KADXHSAARFZZMI-SGTLLEGYSA-N 363.504 5.725 0 1 FKAF CC(=O)OCC[C@@H](C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(CO)=CCC[C@H]12 238760189 JXJUDJCWRDJMCG-HFQQBTNDSA-N 350.543 5.127 0 1 FKAF CCC[C@@H]1CCCCC=CCCCC(=O)OCCN1C(=O)OC(C)(C)C 253981807 XSXBVWWVGPNFHH-GOSISDBHSA-N 367.530 5.236 0 1 FKAF COc1ccccc1-c1cc2c(N[C@@H](C)c3ccccc3)ncnc2s1 299858710 GROHRMFBORBVQD-AWEZNQCLSA-N 361.470 5.540 0 1 FKAF COc1ccc(-c2cc(-c3c[nH]nc3-c3cc(C)cc(OC)c3)ccn2)cc1 299858777 UBAFETGQAZMNKV-UHFFFAOYSA-N 371.440 5.131 0 1 FKAF c1ccc(COc2ccc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3c2)cc1 586885708 CTCCHYORZMRFOA-OFVILXPXSA-N 366.464 5.513 0 1 FKAF Cc1cc(C)c2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc2c1 587018394 YORCCCSZCJBFMB-UHFFFAOYSA-N 371.469 5.017 0 1 FKAF CC(=O)CC/C=C\Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099637 QGEBUOXQACNFIR-XQRVVYSFSA-N 369.464 5.531 0 1 FKAF C[C@H](c1ccc(Cl)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104945 ZFCKWLLFOWIQMY-CQSZACIVSA-N 369.851 6.251 0 1 FKAF Cc1ccccc1[C@H]1C[C@@H]1c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208690 XWZIHGDFYOVBEE-RTWAWAEBSA-N 361.444 6.026 0 1 FKAF COc1ccc([C@]2(C(C)(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525588 QPCWGOVTNOAWNY-DEOSSOPVSA-N 364.485 5.481 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 587564727 OXTUMUZKFXNOIN-UHFFFAOYSA-N 363.383 5.243 0 1 FKAF COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2cccc(F)c2)cc1 587630926 TUWJWSLCEVPHTE-UHFFFAOYSA-N 369.798 6.442 0 1 FKAF Cc1ccc(-c2csc(-c3ccc(OCC(F)(F)F)nc3)n2)cc1C 587920217 FKBXZUNKJKXGIR-UHFFFAOYSA-N 364.392 5.430 0 1 FKAF NC(=S)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)c2ccccc12 587923131 PVBWLZLFECOENW-UHFFFAOYSA-N 364.470 5.404 0 1 FKAF C[C@@H]1CC=CC[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587966154 AXTNLQBWAVBIJL-RKDXNWHRSA-N 359.189 5.414 0 1 FKAF CC[C@H]1CN(Cc2ccccc2)c2cc(-c3ccccc3)ccc2N1C(C)=O 1857639934 DUAQTUNCRUDQBX-QHCPKHFHSA-N 370.496 5.505 0 1 FKAF Cc1ccc2oc(-c3cccc(NC(=O)Nc4ccc(F)cc4)c3)nc2c1 1857767258 ISOQCDSCMHTJAT-UHFFFAOYSA-N 361.376 5.586 0 1 FKAF Oc1ccccc1-c1nnc(-c2ccc(-c3nc4ccccc4s3)cc2)o1 1911574436 SUAPRKQJPDQSQY-UHFFFAOYSA-N 371.421 5.386 0 1 FKAF CC[P@@](=O)(OC)c1ccc2nc(-c3ccccc3C(F)(F)F)oc2c1 1911586018 KLIKWTIURFPRTF-RUZDIDTESA-N 369.279 5.083 0 1 FKAF CCCCC=CCCCCCCCCCCCCCCCCCC(=O)O 2356756865 XGAFLICMDZUMCB-UHFFFAOYSA-N 366.630 8.449 0 1 FKAF CC1(C)C[C@H]2C[C@](C)(CN2c2nc(-c3ccco3)cc(C(F)(F)F)n2)C1 3894533 LYGCBZGVDNGGFU-SGTLLEGYSA-N 365.399 5.160 0 1 FKAF CC(=O)c1cccc(NCc2ccccc2-c2nnc(-c3ccccc3)o2)c1 8594455 NFHAKTJGDCOWFW-UHFFFAOYSA-N 369.424 5.218 0 1 FKAF Cc1cnc([C@H](CO)Cc2cccc3ccccc23)cc1OCC(C)(C)C 11687429 FUMIMDKBFZWMIN-FQEVSTJZSA-N 363.501 5.287 0 1 FKAF CC[C@H](c1ccc(Cl)cc1)[C@](C)(Oc1ccc(C(C)C)cc1)C(=O)O 13604910 CIUMPJTUWUVBKJ-CTNGQTDRSA-N 360.881 5.879 0 1 FKAF Cc1cc(Cl)nc2c1ccn2-c1ccc(C(C)C)cc1Br 13794646 PNGHDPQUCWMVKJ-UHFFFAOYSA-N 363.686 5.873 0 1 FKAF CCCCCC[C@H](N)Cc1ccc(OC)c(OCCc2ccccc2)c1 13801102 ATWSAMSDOYXNEX-NRFANRHFSA-N 355.522 5.157 0 1 FKAF CCCCCCSC[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 36190235 YHSIOGBAMKKEDO-FVKPRBTBSA-N 354.556 5.295 0 1 FKAF O=C(C[C@H](C1=C(O)c2ccccc2C1=O)c1ccccc1)c1ccccc1 37637965 ZRCFKISCZSWCPU-FQEVSTJZSA-N 354.405 5.209 0 1 FKAF biogenic O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(SCc2ccccc2)cc1 45288206 GUOBGIGORNBZEV-OAQYLSRUSA-N 364.466 5.054 0 1 FKAF CCC[C@@H](C(=O)OCC)c1cc(O)cc(-c2ccc(C(F)(F)F)cc2)c1 64624681 DGINQAZHBVGROK-GOSISDBHSA-N 366.379 5.525 0 1 FKAF in-vitro CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1CCc1ccccc1 72141205 GUCMRSUQSKLWCK-HSZRJFAPSA-N 360.888 6.038 0 1 FKAF CC(=O)Oc1ccc(O)c(C[C@@H]2C(C)=CC[C@@H]3C(C)(C)CCC[C@]23C)c1O 85950197 LISRCGYCVNHXKP-HCLVMJGWSA-N 372.505 5.364 0 1 FKAF biogenic Cc1nc(-c2ccccc2)sc1[C@@H]1SCC(=O)N1c1ccc(F)cc1 95563915 REGPAVWUJLTRGD-IBGZPJMESA-N 370.474 5.036 0 1 FKAF CCCCc1ccc2c(c1)[nH]c(=O)c1nc(-c3ccccc3Cl)[nH]c12 96270724 FPXKRKAWESOZII-UHFFFAOYSA-N 351.837 5.067 0 1 FKAF CCCCC(=O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCc1ccccc1 200476950 DLUFNHPRMJMZNY-UHFFFAOYSA-N 363.457 5.333 0 1 FKAF CCN(CC)CCOc1ccc([C@@H](c2ccccc2)c2cccs2)cc1 206291596 QETOGGJTGSJZPP-HSZRJFAPSA-N 365.542 5.649 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(F)c(F)c1C3 586987367 DUFWYEANYLFACI-UHFFFAOYSA-N 371.342 5.001 0 1 FKAF Clc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cn1 587065129 UOZIFAOWGVNNJS-UHFFFAOYSA-N 360.200 5.104 0 1 FKAF Cc1cc(Br)c2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1 587085891 MOFPMAGXWVWLEC-UHFFFAOYSA-N 372.653 5.502 0 1 FKAF CC(C)=CCC[C@H](C)c1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587099413 HSQOOKCNQSBPGT-INIZCTEOSA-N 355.481 6.605 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4c(Cl)ccnc4[nH]3)ccc2F)cc1 587139781 WJFJTVCTMZUGBV-UHFFFAOYSA-N 365.795 5.287 0 1 FKAF C[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](C)C1 587354628 OHCYNBGWBMCFNH-WNSHACJQSA-N 354.421 5.085 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(Cl)cc3)s1)O2 587410100 KWYMLIWGVOOWIF-KRWDZBQOSA-N 369.873 5.666 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1Cl)CC2=O 587458868 AFRAMMWVVLWWIW-QGZVFWFLSA-N 351.229 5.358 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(Cl)c1OCC)CC2=O 587459170 GJGDRNNXFIYBSA-SFHVURJKSA-N 360.837 5.103 0 1 FKAF Cc1cc(C)c2[nH]c3c(c2c1)CC[C@]31CC(=O)c2ccc3c(c2O1)CCCC3 587521095 AKXVNAOTSPRKFI-VWLOTQADSA-N 371.480 5.470 0 1 FKAF COc1ccc2c(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)oc2c1 587531630 HHUWKVGFKXUUBN-NRFANRHFSA-N 362.425 5.335 0 1 FKAF O=C1C[C@@H](c2ccc(C3CCCC3)s2)Oc2c1ccc1c2CCCC1 587533956 ZUMYFIAQHPGWIA-IBGZPJMESA-N 352.499 5.991 0 1 FKAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1Cl 587622122 YCXBXEYIUINWLY-UHFFFAOYSA-N 360.642 5.436 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(C)(C)C)(C2CC2)N1 587815784 QEZODDRFJRMHIL-BBATYDOGSA-N 354.307 5.164 0 1 FKAF COc1ccc(C2(c3nc4ccc(Cl)cc4[nH]3)CC3(CCC3)C2)cc1 587936900 MQCPUFIOKGCARH-UHFFFAOYSA-N 352.865 5.475 0 1 FKAF CC[C@H](C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587955749 LLINAFQAOMMYLH-NSHDSACASA-N 361.367 5.348 0 1 FKAF Cc1nc(N[C@H](C)c2ccccc2C)cc(-c2ccc3occ(C)c3c2)n1 653764981 LBZCWJZIPAXUCE-MRXNPFEDSA-N 357.457 5.988 0 1 FKAF COc1ccc(-c2nnc(/C=C/c3ccc(-c4ccccc4)s3)o2)cc1 653786703 PYFZQKPEPSMYSR-WYMLVPIESA-N 360.438 5.644 0 1 FKAF Cc1ccc2c(Sc3cc(Cl)cc(Cl)c3)c(C(N)=O)[nH]c2c1 1772612328 BXTOVHVSEBABLS-UHFFFAOYSA-N 351.258 5.033 0 1 FKAF CCCCCCC(=O)Oc1cccc2ccc(-c3ccc(F)cc3)nc12 1857541723 JHJMCQCNDRXZSA-UHFFFAOYSA-N 351.421 5.917 0 1 FKAF O=C(O)c1ccccc1Nc1c(Cl)cc(-c2ccncc2)cc1Cl 1857581396 GSNZPZDSMBVGPU-UHFFFAOYSA-N 359.212 5.497 0 1 FKAF COCC[C@H](C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)OC)[C@@H]2CC[C@H]1C 2356377786 LRXQVKNEISJCOG-NDUFAUORSA-N 350.543 5.391 0 1 FKAF O=C(O)CS[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 6536056 AUWASCFGQNGISC-MRXNPFEDSA-N 369.269 5.125 0 1 FKAF Clc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1 13728613 WWBXRAAWXACMHT-UHFFFAOYSA-N 364.920 5.933 0 1 FKAF C[C@@H](NC(=O)Nc1cccc2cnccc12)c1ccc(C(F)(F)F)cc1 14973609 FIRXVLDQHKDDGB-GFCCVEGCSA-N 359.351 5.136 0 1 FKAF CC(C)(C)c1ccc(-c2cccc(Nc3ccc4c(c3)OCCO4)c2)cc1 14974011 ONLUXUAFSOSYAG-UHFFFAOYSA-N 359.469 6.166 0 1 FKAF COC(=O)[C@H](CCC=C(C)C)CCC[C@H](CCCc1ccoc1)C(=O)O 15194366 LKVBHTFLLORZRI-RBUKOAKNSA-N 364.482 5.009 0 1 FKAF biogenic CCCc1ccc(C(=O)c2c(C)n(CCC)c3ccccc23)c2ccccc12 43076178 DDZUMCIFOVRXDH-UHFFFAOYSA-N 369.508 6.696 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1Cl)[C@H](OC(C)(C)C)n1cnc(C)c1 45358544 MPJAQRAQTLCSOF-IRXDYDNUSA-N 371.308 5.590 0 1 FKAF O=C(O)c1cc(C2CC2)ccc1Cc1cnc(-c2ccccc2C2CC2)nc1 96173336 RSYBSBYAEHAFFP-UHFFFAOYSA-N 370.452 5.187 0 1 FKAF C[C@@]12C[C@](C)(C=C1/C=C/CCc1ccco1)C(=O)C[C@@H]2CCc1ccco1 169294143 HSYVZZKTEPXIFY-QSCSZCONSA-N 364.485 5.926 0 1 FKAF C1=N\c2ccccc2OCCCOc2ccccc2/N=C/c2ccccc2/1 169299946 COFXJALIKPUDAR-DRPBVWSQSA-N 356.425 5.349 0 1 FKAF CC(C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257387096 BKWBRNDZAJHCMT-SYALMBNBSA-N 370.621 6.775 0 1 FKAF endogenous,in-man Cc1ncc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(C)c1Br 586978711 CSGGNMCHZKESLD-UHFFFAOYSA-N 371.065 5.311 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(F)cc1OCC3 587103896 KQTJISLFEALWGL-UHFFFAOYSA-N 367.379 5.187 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4cc5cn[nH]c5cc4[nH]3)ccc2F)cc1 587139503 MLRJYVCBXDRYEL-UHFFFAOYSA-N 370.387 5.115 0 1 FKAF Fc1ccc(/C=C(\c2nc3cc(F)c(F)cc3[nH]2)c2cccs2)cc1 587163856 MACGUMYBGVDDOZ-JYRVWZFOSA-N 356.372 5.631 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)c1ccc(Cl)cc1)CC2=O 587463928 ZVMAYZZBOFTPQH-ZSEKCTLFSA-N 358.865 5.526 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccccc1C)CC2=O 587470191 JCXMLCLYWAQJBJ-JOCHJYFZSA-N 361.441 5.150 0 1 FKAF CCCCc1ccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587491252 VEPOKGNWBAEIEC-HSZRJFAPSA-N 352.474 5.568 0 1 FKAF O=C1C[C@@]2(CCc3cccc(Cl)c3C2)Oc2c1ccc1c2CCCC1 587497712 GBAIBGZHOGPQSW-QFIPXVFZSA-N 352.861 5.112 0 1 FKAF O=C1C[C@H](Cc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 587504092 IGIJKQHMHRSIOO-AWEZNQCLSA-N 361.268 5.449 0 1 FKAF Fc1ccc2c(-c3nc4ccccc4[nH]3)c(-c3ccc(Cl)cc3)[nH]c2c1 587632708 INMIADQCWBFNOT-UHFFFAOYSA-N 361.807 6.171 0 1 FKAF CCOC(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2cc(F)ccc12 587633302 YTERYWBRIYYJQD-UHFFFAOYSA-N 352.192 5.458 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(OC(C)(C)C)cc3)n2)cc1 587925591 RQLOYUTZZAFFHQ-UHFFFAOYSA-N 355.528 6.376 0 1 FKAF c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NC3CCCCC3)CC2)c1 618009653 GNZRFZJMDPKUNH-UHFFFAOYSA-N 373.544 5.726 0 1 FKAF Cc1cc2c(cc1F)[C@](CC(C)(C)C)(c1cc(F)c(F)c(F)c1)NCC2 962093647 QSLYKUCYBKSXNY-NRFANRHFSA-N 365.414 5.377 0 1 FKAF CN1CCc2c(Br)cccc2[C@@H]1c1ccc(C(C)(C)C)cc1 963279841 JPWAQJODGZLFFJ-IBGZPJMESA-N 358.323 5.324 0 1 FKAF CC(=O)Nc1cccc(N=c2cc(-c3ccccc3)[nH]c3ccccc23)c1 1857539684 MNCWMFWUVKUNLT-UHFFFAOYSA-N 353.425 5.026 0 1 FKAF CC(C)(C)c1ccc(OCc2ccc(C(=O)O)cc2)c(-c2ccccc2)c1 1857546783 DSMPSZKEDOMDHY-UHFFFAOYSA-N 360.453 5.928 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccccc2Cl)s1 1857564624 IWZSXNAYGNWSMQ-UHFFFAOYSA-N 363.269 6.366 0 1 FKAF O=C(c1ccccc1)c1ccc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1 1857763103 NYYXEJAWMUXYSB-UHFFFAOYSA-N 371.465 5.208 0 1 FKAF CO[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4C(=CC[C@@H]5C[C@H](O)CC[C@H]45)C[C@H]3CC[C@@H]2C1 2356623260 SZAJWRKZJNIUSA-ZZOFROLKSA-N 358.566 5.351 0 1 FKAF CC[C@@H](C)CCC(C)=Cc1c(C)c(O)cc2c1[nH]c1c(O)ccc(CO)c12 2356725466 GBCTUBMADGTMFW-CYBMUJFWSA-N 367.489 5.763 0 1 FKAF CCCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1 2382223630 JMDQFVFDWAYBOU-UHFFFAOYSA-N 374.267 6.678 0 1 FKAF Cc1[nH]c2ccccc2c1[C@@H](c1ccccc1)c1cc2cc(Cl)ccc2o1 2382229736 CSDLYVYNQUSVRC-DEOSSOPVSA-N 371.867 7.056 0 1 FKAF Cc1nc(SCc2nc3c(C)cccc3[nH]2)c2oc3ccccc3c2n1 36380923 ODMPMESMVWDCOF-UHFFFAOYSA-N 360.442 5.161 0 3 FKAF Cc1nc2ccc(NC(=O)CCC34CC5CC(CC(C5)C3)C4)cc2s1 27319464 UGQGRHHDMYKRSY-UHFFFAOYSA-N 354.519 5.540 0 1 FKAF O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncc(C(F)(F)F)o1 29135928 OJLANTBOTIWRTA-UHFFFAOYSA-N 361.319 5.301 0 1 FKAF CC[C@@H](C)CCCCCCCCCCCCCCCCCCC(=O)O 33820160 MZRXKFZYUOFQRH-JOCHJYFZSA-N 354.619 8.139 0 1 FKAF biogenic,in-vitro COc1ccc2c(c1)[C@@]13CC[C@@H](C)[C@H](C)[C@@H]1[C@@H](C2)N(CC1CCC1)CC3 40461374 URDKDABBNGKIDR-BKOZITRISA-N 353.550 5.046 0 1 FKAF CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CC[C@@H](C)CC(=O)O 43510280 QSEIUMVWJJWZJP-BVWRKFALSA-N 364.526 5.219 0 1 FKAF O=C(Nc1cccc(-c2cccc(C(F)(F)F)c2)c1)OC1CCCCC1 70463145 MHORXARLJQJRMN-UHFFFAOYSA-N 363.379 6.254 0 1 FKAF CC(C)=CCC/C(C)=C\CN1C(=O)[C@]2(OCCC=C[C@H]2C)c2ccccc21 73096515 BBKUPXVFOVUPDN-QVDOLUCOSA-N 365.517 5.534 0 1 FKAF O=C(O[C@@H](Cn1ccnc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 73199936 RYYLZOUXUDQNJZ-QHCPKHFHSA-N 368.436 5.148 0 1 FKAF C[C@@H]1CC(=O)c2s/c(=N/c3c(Cl)cc(Cl)cc3Cl)oc2C1 84758761 JQMUATYQMLLDFZ-BMRWLGQKSA-N 362.665 5.299 0 1 FKAF COC(=O)C1=CN(Cc2cccc3ccccc23)C=C[C@@H]1c1ccccc1 95585142 LHABJXOXYJUZLS-JOCHJYFZSA-N 355.437 5.010 0 1 FKAF CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(F)c21 206810387 NIFGXRPARMHXLK-UHFFFAOYSA-N 359.444 6.355 0 1 FKAF O=C(O)CCCCCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 231930521 CKZGRGZXFFNECL-YCBQTKSGSA-N 360.582 6.680 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(O)c3)cc(-c3cccc(O)c3)n2)cc1 299830009 NKXIOIWYDKKDMX-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF CCc1ccc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586990517 GBBGWHDNVVAEKE-UHFFFAOYSA-N 367.404 5.087 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@H]4c1ccccc1F)-c1ccccc1C2=O 586994737 FEMYDLPCYUCAPM-SFHVURJKSA-N 365.407 5.582 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1ccc(O)cc1CC4)-c1ccccc1C2=O 587101524 NZWPMVGRLXNYBB-UHFFFAOYSA-N 363.416 5.226 0 1 FKAF COc1cccc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)c1 587106562 JLZHURFOPUXCRY-UHFFFAOYSA-N 351.405 5.430 0 1 FKAF CCCC[C@@H](CC)COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587213167 YOZJAZFICBVFBT-GOSISDBHSA-N 359.513 6.596 0 1 FKAF COc1cccc(-c2cc([C@H]3CCCN(C)C3)nc3c2oc2ccccc23)c1 587362000 AEKJOVHVLBUEHV-KRWDZBQOSA-N 372.468 5.466 0 1 FKAF O=C1C[C@H](c2cc3sccc3nc2Cl)Oc2c1ccc1c2CCCC1 587535183 JATAKSLBQQPJCX-QGZVFWFLSA-N 369.873 5.535 0 1 FKAF CC(C)(C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 587604024 UAWKYTNAXHCUGF-RTWAWAEBSA-N 374.436 5.090 0 1 FKAF CSc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 587630130 UNMZNDFOECGJBV-UHFFFAOYSA-N 359.775 6.368 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3Cl)c(C(=O)C(=O)OC)c2c1 587641634 NWLBTMUUOYFWLI-LBPRGKRZSA-N 369.848 5.358 0 1 FKAF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587699853 XWEICHYNSFFOES-BMLIUANNSA-N 368.677 5.174 0 1 FKAF CCOc1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1C 587777670 CSPUXZVQYGKDCN-UHFFFAOYSA-N 354.759 5.609 0 1 FKAF CC(C)[C@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587818406 CZDJMZRDNKPUNA-DFHBCGBQSA-N 354.307 5.164 0 1 FKAF CCc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587844511 BLDLHPFCQNRSSN-BMLIUANNSA-N 368.315 5.010 0 1 FKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587927806 UTUHWWFEQNFITQ-ZDUSSCGKSA-N 364.367 5.141 0 1 FKAF FC(F)(F)Oc1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587966245 ATTYACOYCQWMMT-FLIBITNWSA-N 354.331 5.785 0 1 FKAF Fc1ccccc1-c1ccc([C@@H]2c3c(F)cccc3C[C@H]3CCCN23)s1 963094273 CGQLQSPQBYHSBU-IVZQSRNASA-N 367.464 5.803 0 1 FKAF CC(C)(C)c1ccc(Oc2ccccc2[C@@H]2NCCc3ccc(O)cc32)cc1 963350259 AOIWKLCTQRBKEN-DEOSSOPVSA-N 373.496 5.717 0 1 FKAF Fc1ccc2[nH]cc(CN3CCC(F)(F)[C@@H](CCc4ccccc4)C3)c2c1 1772570270 LQAXENHGYRDCSF-SFHVURJKSA-N 372.434 5.397 0 1 FKAF FC(F)(F)C[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 1857573740 LHTAJYNFNOJCEQ-IBGZPJMESA-N 365.398 6.919 0 1 FKAF CC(=O)OCC=C(C)C[C@H](C)C[C@@H](C)CCCCCCCCC(C)C 2356406515 YOKQQBWIWJYSNO-RBBKRZOGSA-N 352.603 7.325 0 1 FKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(C(C)C)=CC3=CC[C@@H]12 2356691640 RBSYKCMZHUVTOE-BPJRBCGYSA-N 370.577 6.631 0 1 FKAF CC(C)(C)[C@@H](c1nc2ccccc2[nH]1)n1c(-c2ccco2)nc2ccccc21 199229112 XYGNNYZFXGIYFR-HXUWFJFHSA-N 370.456 5.808 0 3 FKAF Fc1ccc([C@H](c2c[nH]cc2-c2ccccc2Cl)n2ccnc2)cc1 5974400 WFTCMOKXIZPGMX-HXUWFJFHSA-N 351.812 5.308 0 1 FKAF O=C(NCC=C(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1 13451890 ARRFUAAVWIBUKT-UHFFFAOYSA-N 363.460 5.702 0 1 FKAF CCOC(=O)c1ccc(NCCCc2c(Cl)cccc2Cl)cc1 29205877 DZSQCLIPLTXEBD-UHFFFAOYSA-N 352.261 5.215 0 1 FKAF CC[C@@H](C)c1cccc2c(C(=O)O)c(O)c(-c3ccc(Cl)cc3)nc12 35086959 RURLXZQEUHZJRR-LLVKDONJSA-N 355.821 5.473 0 1 FKAF CC[C@@H](C)Nc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2C)n1 82177586 SEEWAYBPJDKGCI-OAHLLOKOSA-N 374.513 5.939 0 1 FKAF O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c1 95590199 SOGZGKVEHPOJKV-UHFFFAOYSA-N 374.443 6.128 0 1 FKAF CC(C)(C)SC[C@H](C(=O)c1ccc(Cl)cc1)n1cnc2ccccc21 473108873 PHBRNQCTMVNKPM-GOSISDBHSA-N 372.921 5.645 0 1 FKAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 586918375 XSJOMXVAWNKDSS-HXOBKFHXSA-N 362.473 5.077 0 1 FKAF Fc1cc2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2cc1Cl 587084002 QTBSNAQICHOESY-UHFFFAOYSA-N 358.203 5.738 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](OC(C)C)C4)-c1ccccc1C2=O 587099431 IJSXXFYQXPADBX-HNNXBMFYSA-N 357.453 5.037 0 1 FKAF Cc1ccc2c3c(cc(/C=C/c4ccccc4O)nc13)-c1ccccc1C2=O 587101778 QCWXBXXFIXLQDN-VAWYXSNFSA-N 363.416 5.631 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC[C@H]4[C@H]1CCOC1)-c1ccccc1C2=O 587101902 REKJWWAMJBYJCB-HOTGVXAUSA-N 369.464 5.211 0 1 FKAF Cc1cc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cc1Cl 587167026 FNTXBCRLMGCPQN-KRWDZBQOSA-N 372.831 5.033 0 1 FKAF O=C(c1ccc(-c2nc3ccccc3s2)s1)c1coc2ccccc12 587280905 HRAXEXKTRPMSEE-UHFFFAOYSA-N 361.447 6.002 0 1 FKAF COc1cccc(-c2cc(CC(=O)CC(C)C)nc3c2oc2ccccc23)c1 587366117 RTXWKODLRKDVJT-UHFFFAOYSA-N 373.452 5.814 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccsc3)nc1)CC2=O 587497318 VJPSKGFWEHSDCC-HXUWFJFHSA-N 365.454 5.175 0 1 FKAF O=C1C[C@@H](CCc2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587510628 WOOSTEZPWWXPNJ-QGZVFWFLSA-N 374.402 5.551 0 1 FKAF C[C@@]1(c2ccc3cc(O)ccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531462 GNCUDYKARWDYLV-DEOSSOPVSA-N 358.437 5.305 0 1 FKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1SC 587531778 JNQSBXINPZQCHT-SFHVURJKSA-N 354.471 5.002 0 1 FKAF Cc1cccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546937 RMBDKLIWADYHML-GHTZIAJQSA-N 366.800 5.057 0 1 FKAF COc1cc(C)ccc1OCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587564183 MVESRYWDMROYJJ-UHFFFAOYSA-N 360.413 5.251 0 1 FKAF Cc1[nH]c2c(C(=O)O)cccc2c1-c1ccc(Cl)cc1Br 587636922 PSBZUQWPCAYUSM-UHFFFAOYSA-N 364.626 5.257 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cn3)c(CCC(=O)O)c2c1 587639649 BDEJLRFXYAWDMZ-LBPRGKRZSA-N 356.853 5.414 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCCC(F)(F)F)N1 587708994 GZHAPIPGORVELR-LKFCYVNXSA-N 368.212 5.070 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2C2CCCC2)N1 587818139 CBOFARBLFMRRPV-PEELUZDISA-N 366.318 5.308 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCCCCCCCC2)N1 587818604 RLBXINKCPMDGQC-AWEZNQCLSA-N 368.334 5.842 0 1 FKAF CC1=C(C)C[C@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587824452 WVPNGRWSWPPSQQ-DFHBCGBQSA-N 352.291 5.300 0 1 FKAF Cc1oc2ccccc2c1[C@@H]1NC2(CC2)Cc2ccc(Br)cc21 961613226 HCNOQCYCVOJOHS-LJQANCHMSA-N 368.274 5.271 0 1 FKAF Cc1cc(Oc2ccc3nc(COc4ccccc4)n(C)c3c2)cc(C)c1N 1857538302 WOKBMKSIQJDGLG-UHFFFAOYSA-N 373.456 5.144 0 1 FKAF Cc1ccc(NC(=S)Nc2ccc3c(c2)C(C)(C)CC(C)(C)S3)cc1 1857547859 BJIFBMZQLLAHIJ-UHFFFAOYSA-N 370.587 6.356 0 1 FKAF CCCCCC[C@@H](C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1 1911578216 BOBDBPUBEIEQBB-HSZRJFAPSA-N 367.533 5.564 0 1 FKAF COc1cc2c(cc1C(C)C)C(=O)C[C@@H]1C(C)(C)C[C@@H](OC(C)=O)C[C@@]21C 2356453492 ABEYRUZXTWMTSC-AECOYVPUSA-N 372.505 5.031 0 1 FKAF CC(=O)CC[C@@H]1C(C)(C)CCC[C@]1(C)C(=O)CCC(C)=CCOC(C)=O 2356685902 KHGRKRPUNMGKCC-KNQAVFIVSA-N 364.526 5.047 0 1 FKAF COC(=O)C[C@H](C)CC[C@@H]1[C@](C)(OC)C=C[C@@H]2C(C)(C)CCC[C@@]12C 2356725480 GLCPAKRBJQFMMZ-IYZCWLJXSA-N 350.543 5.390 0 1 FKAF O=C(c1ccccc1)c1oc2cc(O)ccc2c1-c1cccc2ccccc12 13818624 INPREZIKKOLEHM-UHFFFAOYSA-N 364.400 6.190 0 1 FKAF CCCCC(C)(C)OC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C 27844441 CMXSJLLPSSSELS-UHFFFAOYSA-N 361.526 5.774 0 1 FKAF Clc1cccc2c1CN[C@H](c1ccc(Br)cc1)c1cccn1-2 28461894 KETAZAJPNZAOBF-GOSISDBHSA-N 373.681 5.086 0 1 FKAF Cc1c(Cn2ccnc2)c2ccccc2n1Cc1cc(Cl)ccc1Cl 40835862 OOCOTNMITBZEDA-UHFFFAOYSA-N 370.283 5.550 0 1 FKAF CCCC[C@@H](CC)[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 59529649 KCOVIXLDRHLDSU-NOHSUOKDSA-N 366.542 5.140 0 1 FKAF Nc1sc2c(c1C(=O)c1ccccc1)-c1cc(C(F)(F)F)ccc1C2 64553895 JWXXYZXIMWWJKC-UHFFFAOYSA-N 359.372 5.151 0 1 FKAF c1ccc2c[n+](CCCCCCC[n+]3ccc4ccccc4c3)ccc2c1 66079888 WTEHSLBHHPNNTR-UHFFFAOYSA-N 356.513 5.219 0 1 FKAF c1cn(CCCCCCCCCCCCCCCCn2ccnc2)cn1 73167761 JXRJATDQMHMKBQ-UHFFFAOYSA-N 358.574 6.241 0 1 FKAF CC(/C=C/c1oc(=O)c2c(c1C)O[C@H](C)C2(C)C)=C\c1[nH]ccc1Cl 142317933 IMYZEZLKASQAKN-ZUSLKBAUSA-N 359.853 5.105 0 1 FKAF Cc1c(-c2cc(F)cc(F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987240 BYPYIDKGVMBKPO-UHFFFAOYSA-N 373.358 5.405 0 1 FKAF c1ccc2cc3[nH]c(-c4csc(-c5ccc6c(c5)CCO6)n4)nc3cc2c1 587017817 QBSRQNLSKCHZNO-UHFFFAOYSA-N 369.449 5.442 0 1 FKAF Cc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1F 587070826 HXSUWLDXUFECGD-UHFFFAOYSA-N 372.230 6.046 0 1 FKAF COc1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(Cl)n1 587083566 ARZXIZIYBRSQDA-UHFFFAOYSA-N 367.861 5.438 0 1 FKAF COc1cccc(O)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097912 PDOJGRWIQMUYKX-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF Fc1cc(Br)cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c12 587113228 PHVYYGYKWWGVJC-UHFFFAOYSA-N 359.120 5.150 0 1 FKAF CCCCC[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587206713 HCDMBDUORHGLRL-INIZCTEOSA-N 355.481 6.131 0 1 FKAF COc1cccc(-c2c(C)c(CCCC(C)C)nc3c2oc2ccccc23)c1 587364543 DHHCAVWVPUCQNX-UHFFFAOYSA-N 373.496 6.944 0 1 FKAF COc1cccc(-c2cc(C3CCCCCC3)nc3c2oc2ccccc23)c1 587365712 OGNXQGVYMKVAOQ-UHFFFAOYSA-N 371.480 7.094 0 1 FKAF CCOc1cc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587525105 PVSUBFRJKQOCCL-OAQYLSRUSA-N 350.458 5.287 0 1 FKAF CC[C@@]1(c2ccc3c(c2)CCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587535161 JAIRDYNVDZIXEL-DEOSSOPVSA-N 362.469 5.161 0 1 FKAF CC(C)(C)c1[nH]c2cccc(F)c2c1[C@@](O)(c1ccccc1)C(F)(F)F 587633581 GZOGNIAQFNBVAH-IBGZPJMESA-N 365.370 5.403 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(=O)O)c(-c3ccc(Cl)c(Cl)c3)c2c1 587640302 HASOBHQWNAWSQS-JTQLQIEISA-N 362.256 6.353 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(-c3cccnc3)c2c1 587642742 VECBGLNRYRYHIB-OAHLLOKOSA-N 360.888 7.064 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(F)c2)N1 587726563 XQYDVHGHWBIIAV-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)cc1OC 587928339 DGURTMVBJJCJRK-UHFFFAOYSA-N 366.367 5.192 0 1 FKAF COc1ccc(C2(c3nc4cc(F)c(F)cc4[nH]3)CC3(CCC3)C2)cc1 587936128 RYCRNEZMTQSBGP-UHFFFAOYSA-N 354.400 5.100 0 1 FKAF CCc1nc2ccccc2n1Cc1ccc2c(c1)CCc1ccccc1N2 653818612 IXJKKMJYSLPUHD-UHFFFAOYSA-N 353.469 5.489 0 1 FKAF COc1ccc2c(c1)[C@](C)(c1ccc(C(C)(C)C)cc1)N(C(C)C)CC2 962089419 IVGFNWQAPBNBFN-DEOSSOPVSA-N 351.534 5.523 0 1 FKAF COc1cccc2c3c(cnc12)CCN[C@@H]3[C@@H](C)[C@@H](C)CCC=C(C)C 963046497 JKNAEWOUNMDGAF-PNLZDCPESA-N 352.522 5.449 0 1 FKAF CCCCC[C@H](O)C=CC=CCCCC[C@@H](CCC(=O)O)CCC(C)C 2356600287 GXMYTVGZPABJDJ-YADHBBJMSA-N 366.586 6.518 0 1 FKAF CON(C)CCCCCCCCCCCCCCCC1=CC=CN(C)C1 2356873011 ZCPWJWMYSGZLIL-UHFFFAOYSA-N 364.618 6.327 0 1 FKAF COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C1(C)CCCCC1 5762247 SWIWERVMTLKNLQ-UHFFFAOYSA-N 374.480 6.435 0 1 FKAF COc1ccc(-c2cc(OC)c3c4c(c(OC)ccc24)CC[C@H]3OC)cc1 13480696 LHRSSYXWCZVPJH-HXUWFJFHSA-N 364.441 5.166 0 1 FKAF biogenic CCCN(C)C(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21 13491307 RWQLSDZMLCUREL-UHFFFAOYSA-N 374.440 5.174 0 1 FKAF CCC[C@@H](C)C(=O)Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 28455956 HUWWPFVDPYIAFM-CYBMUJFWSA-N 373.522 5.190 0 1 FKAF Cc1cccc(CC(=O)Nc2ccc(-c3csc4ccnc(N)c34)cc2)c1 28703816 NIHONILVXALYIH-UHFFFAOYSA-N 373.481 5.035 0 1 FKAF Fc1ccc(-c2[nH]cc(C3=CCN4CCCC[C@H]4C3)c2-c2ccncc2)cc1 33983768 XDGNTQXBOQQVHL-NRFANRHFSA-N 373.475 5.524 0 1 FKAF CCCCCC1=NN(C(=O)NCC2CCCCC2)C[C@H]1c1ccccc1 62225258 WURIOZZNHAKSDX-FQEVSTJZSA-N 355.526 5.312 0 1 FKAF O=C(Nc1c(F)cccc1F)c1ccc(-c2cc(Cl)ccc2Cl)o1 71341632 JFLDHLNYZITLLD-UHFFFAOYSA-N 368.166 5.784 0 1 FKAF Cc1ccc(NC2=NN=Cc3cc4ccc(Cl)c(C)c4nc3S2)cc1 98084154 LOHFAWIJYLZYJH-UHFFFAOYSA-N 366.877 5.413 0 1 FKAF Clc1ccc(CCN2[C@@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)cc1Cl 100753583 KQHWFSJEUGZFOE-JLTOFOAXSA-N 371.311 5.779 0 1 FKAF C[C@@H](NC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl)c1ccc(Cl)cc1 103293200 NVXNDEOFVXDGNT-SJKOYZFVSA-N 368.691 5.033 0 1 FKAF O=[N+]([O-])c1cccc(/C=C/c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)c1 164825666 ISWUVPOUIMHFBC-SNAWJCMRSA-N 359.360 5.448 0 1 FKAF Cc1cc2nc([C@H](C)SCc3ccccc3)[nH]c2cc1Br 586964050 TTWXRZQKHQGMQB-LBPRGKRZSA-N 361.308 5.628 0 1 FKAF Cc1c(-c2cccc(Cl)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987079 ZDLQGIMWHUPPGR-UHFFFAOYSA-N 371.823 5.781 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cnc(Cc5ccccc5)s4)[nH]c32)n1 587022337 YCRONWMZQNQAFB-UHFFFAOYSA-N 356.454 5.134 0 1 FKAF Cc1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1Br 587032414 KEKIKTCAPPWTLK-UHFFFAOYSA-N 359.248 5.221 0 1 FKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 587051541 TWLMSWKPPCGOAD-RNFRBKRXSA-N 373.070 5.843 0 1 FKAF Cc1c(Cl)ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c12 587145923 UYGDBABJRVLOBY-UHFFFAOYSA-N 354.787 6.137 0 1 FKAF CC(C)[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356726 RJYNWBOQDGCNIN-CZTZKLFOSA-N 354.421 5.085 0 1 FKAF CCn1nccc1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363795 OJDNCBLIEWPLQN-UHFFFAOYSA-N 369.424 5.540 0 1 FKAF COc1cc2c3c(c1)O[C@](Cc1cccc(Cl)c1)(CC(C)C)[C@@H](C2)C3=O 587421060 RMNLQRBPJWQRGO-AVRDEDQJSA-N 370.876 5.124 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(O)cc3)cc1)CC2=O 587486212 XFJFOXRZDZQXDK-HSZRJFAPSA-N 374.436 5.424 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(C)(C)C)c1O)CC2=O 587488955 LLDAROJQVAMSOI-IBGZPJMESA-N 354.446 5.054 0 1 FKAF COc1ccc2c(c1)[C@H](C)[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587524302 LUULNNWHKCFICW-IZHWHUGBSA-N 362.469 5.028 0 1 FKAF Cc1ccc([C@@]2(C3CCCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526139 RBQRWLHXHPJADO-SANMLTNESA-N 374.524 6.315 0 1 FKAF CCCCCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587526447 XQOCEDCEENTPST-QHCPKHFHSA-N 364.485 5.841 0 1 FKAF Cc1cccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546938 RMBDKLIWADYHML-NQIIRXRSSA-N 366.800 5.057 0 1 FKAF CCOC(=O)c1c(-c2ccc(F)c(Cl)c2)[nH]c2cc(Cl)c(F)cc12 587629243 GRLODDDXIDQIGV-UHFFFAOYSA-N 370.182 5.597 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)O)c2c1 587641488 JGQJJQOKNGVOCF-AWEZNQCLSA-N 353.437 5.895 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3nn(CC)cc3Cl)c(C(=O)OC)c2c1 587642865 WNLLOQCIYNSKAG-NSHDSACASA-N 359.857 5.005 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2Cl)N1 587716061 DFWDHSDHVJYGKR-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF CCOC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4OC)cc3)nc2c1 587931808 NBXJVSHNCXUEIG-UHFFFAOYSA-N 372.424 5.082 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4ccc(C(C)(C)C)nc4[nH]3)ccc2c1 587934644 LJKUGKXRNQDGTK-CQSZACIVSA-N 359.473 5.569 0 1 FKAF CC(=CCC[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C)CC[C@H]3C(C)=CC[C@H]12)CO 2356483207 FCDTYKFKWUCPPD-SVLCKSGWSA-N 356.594 6.840 0 1 FKAF C[C@H](CO)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4[C@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@@]12C 2356541260 HYDPQJPDIJUOEO-TVEBOHSVSA-N 372.593 5.789 0 1 FKAF CC1=CC[C@]2(C)CC[C@H]([C@H](C)C(=O)O)[C@@H]2CC=C(C)[C@@H]2CC[C@H](C)C2=CC1 2356644202 WKRVJDAEDJTSCC-RYFIYDMNSA-N 370.577 6.789 0 1 FKAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NC1CCCCC1 775481 IOTDGYKHIGUILU-UHFFFAOYSA-N 370.493 5.100 0 1 FKAF CC(C)[C@@H](C)NC(=O)c1c(C(C)(C)C)noc1-c1cccc2ccccc12 2483719 RWYCMWYTFWVEFH-OAHLLOKOSA-N 364.489 5.567 0 1 FKAF CCCC(=O)c1cnc2c(C)cccc2c1Nc1ccc(Cl)cc1C 26670004 FHSQCHUKQAOYEJ-UHFFFAOYSA-N 352.865 6.231 0 1 FKAF Cc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCCC3)n2)cc1 28470975 CFIYXEXLXAGUFK-UHFFFAOYSA-N 354.457 5.201 0 1 FKAF O=c1[nH]nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccc(Cl)cc1 29207260 NKUDGKUKVQRHRZ-UHFFFAOYSA-N 358.828 5.424 0 1 FKAF CCCCCCc1ccc(-c2nc3ccc(F)cc3c(C(=O)O)c2C)cc1 29321567 YBBNNEOYMVTAPW-UHFFFAOYSA-N 365.448 6.170 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC[C@@]21C 33820884 WWKFKTTWNZBSEM-VWSJZJABSA-N 370.533 5.556 0 1 FKAF Fc1ccc([C@H](CCn2ccnc2)Oc2cc(Cl)cc(Cl)c2)cc1 40393235 UCOKDVFXFIVZRO-SFHVURJKSA-N 365.235 5.539 0 1 FKAF CN(CCCNCc1coc(-c2cccc3ccccc23)n1)c1ccccc1 72182556 WLYSNAWIBRCDLE-UHFFFAOYSA-N 371.484 5.111 0 1 FKAF COc1ccc(Oc2cncc(NC3CCCCCC3)n2)c2ccccc12 82068648 FPUCWKIUJPATSB-UHFFFAOYSA-N 363.461 5.565 0 1 FKAF CCCCCOc1cc(OC)ccc1NC(=O)N[C@@H](C)c1ccccc1 95562169 LDANNHRXXPVJDL-INIZCTEOSA-N 356.466 5.147 0 1 FKAF CSc1cc(O)ccc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 167022918 JAOHKYAQQCWHRG-UHFFFAOYSA-N 372.453 5.201 0 1 FKAF COc1ccc([C@H]2C=C(c3ccccc3)N=C3CC(C)(C)CC(=O)[C@H]32)cc1 169723769 CEPMTRVPSYXKEX-XXBNENTESA-N 359.469 5.280 0 1 FKAF CCCCCNc1nccc(NCc2sc(-c3ccccc3)nc2C)n1 299863528 PIVCATIFNMKSAF-UHFFFAOYSA-N 367.522 5.123 0 1 FKAF CCc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586990403 DQEXDUJVHMBJSQ-UHFFFAOYSA-N 351.405 5.381 0 1 FKAF CC1=C(C)O[C@@](C)(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC1 586991697 PELHWPVXQQWQKC-XMMPIXPASA-N 371.436 5.471 0 1 FKAF FC(F)(F)Oc1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2c1 587023356 JIVICJNTECCCBB-UHFFFAOYSA-N 361.348 5.252 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1ccccc1NCC4)-c1ccccc1C2=O 587097067 OCTULQDCFYHKHY-UHFFFAOYSA-N 362.432 5.390 0 1 FKAF Cc1cc(Br)c(-c2nc3cc(Cl)c(F)cc3[nH]2)cc1F 587137633 DBLYAWNDUUHEFI-UHFFFAOYSA-N 357.585 5.232 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cccc(OC(F)(F)F)c3[nH]2)c1F 587149749 ARBJFCBPXMDFSX-VHSXEESVSA-N 354.278 5.011 0 1 FKAF CC(=O)CCCCCCCCCCCCc1cc2c3c(cccc3n1)CC2 587214141 PERPYVSPAQDDBK-UHFFFAOYSA-N 365.561 6.756 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)CC1(CCCCCCCCCCCCCC1)O2 587409469 VDZLGOJJRVCVIH-UHFFFAOYSA-N 371.565 6.756 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3ccc(C(C)C)cc31)CC2=O 587480380 JTTPUMVQHPBIMF-XMMPIXPASA-N 364.485 5.665 0 1 FKAF CCCOc1cccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)c1 587482595 PHEYQTVEDXMASS-QFIPXVFZSA-N 354.446 5.014 0 1 FKAF CCO[C@H](C)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521716 JIPDRINDQBSWQO-VOIUYBSRSA-N 364.485 5.544 0 1 FKAF COc1ccc(/C=C/Cc2nc3cc(Cl)c(Cl)cc3[nH]2)c(OC)c1 587929742 PIFGSCIVXBTRAQ-ONEGZZNKSA-N 363.244 5.143 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587951119 JHDXGQZQMZZAEO-NSHDSACASA-N 357.335 5.270 0 1 FKAF C[C@@H]1C[C@@H]2[C@H](C[C@@]13c1ccsc1CCN3C(N)=O)C(C)(C)CCC2(C)C 962710548 MFMOWXDEGAZEQI-SKGWCBBHSA-N 374.594 5.389 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2c(Cl)[nH]c3ccccc23)N1 962945889 HGIRAHKLEJWTEJ-WHEQGISXSA-N 363.892 5.490 0 1 FKAF Cc1ccncc1C1=CC=C2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1772614885 YSMWLKIEBIIILJ-VRPAFGSUSA-N 361.529 5.915 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOC[C@H](O)CO 2356457881 DOQOVRQWQQJATN-HSZRJFAPSA-N 364.570 5.502 0 1 FKAF CCCCn1c(-c2ccccc2C)nc2cc3[nH]c(=O)c(C(C)C)nc3cc21 15936197 YOMURRVRWJODEU-UHFFFAOYSA-N 374.488 5.172 0 3 FKAF Cc1ccc(-c2csc(NCSc3cccc4cccnc34)n2)cc1 4980057 SQVYIIPJCWBVED-UHFFFAOYSA-N 363.511 5.828 0 1 FKAF CCC[C@H](C)n1c(CC)nc2c(-c3ccc(OC(F)F)cc3C)nccc21 13479642 ZCRMOTFHGJWGFR-AWEZNQCLSA-N 373.447 5.932 0 1 FKAF CC1=CCCC(C)(C)[C@H]1CC/C(C)=C/CC[C@H](CO)CCCc1ccoc1 14515602 UJVZMYQCMKGVLL-FXRTWUCVSA-N 372.593 7.100 0 1 FKAF in-vivo CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26388115 UIRGBYWISWGYEM-KCBQLBBQSA-N 373.581 5.081 0 1 FKAF Cc1ccc(C(=Cc2ccc(S(C)(=O)=O)cc2)c2ccc(C)cc2)cc1 28118396 RAQUSUKRSYUEMK-UHFFFAOYSA-N 362.494 5.296 0 1 FKAF Cn1c(-c2ccccc2C(F)(F)F)nnc1-c1ccccc1C(F)(F)F 29042501 CKRIFUKNNIFAOQ-UHFFFAOYSA-N 371.284 5.187 0 1 FKAF COc1ccc2[nH]cc(/C=C3/c4ccccc4C(=O)c4ccsc43)c2c1 35080124 VIOQBXWCQZMISW-GRSHGNNSSA-N 357.434 5.371 0 1 FKAF CCC[C@]1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F 36487311 PRJKMVXKGQYDTK-SFHVURJKSA-N 366.358 5.279 0 1 FKAF O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2n1 43078738 HFANBJREPNSQPY-UHFFFAOYSA-N 369.264 5.503 0 1 FKAF CC(C)CCn1cnc(-c2ccccc2)c1-c1c[nH]c2cc(Cl)ccc12 84602998 KQWCRTLKSSPIOZ-UHFFFAOYSA-N 363.892 6.398 0 1 FKAF O=C(Nc1ccc(-c2nccc3c2[nH]c2ccccc23)cc1)c1cccs1 84654828 SAKJLBCZIRRPDZ-UHFFFAOYSA-N 369.449 5.697 0 1 FKAF Cc1ccc(SC[C@H](O)Cn2c(-c3ccccc3)cc3ccccc32)cc1 84689916 YQHLRFLYSBGOFE-OAQYLSRUSA-N 373.521 5.770 0 1 FKAF CCCCSCSC[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101174559 WQIBDBVSAJGYND-UDDPCNJXSA-N 372.596 5.205 0 1 FKAF CCN[C@H]1CC[C@@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc32)CC1 101509252 WKNJJZDFDCGVSZ-SHTZXODSSA-N 366.534 5.303 0 1 FKAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)CC(F)(F)F)ncc2c1 144362252 TYHAKAAXVXNVHX-UHFFFAOYSA-N 362.326 5.240 0 1 FKAF Cc1ncnc(C)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1Cl 144740631 LRIKQAGJPVUYIE-UHFFFAOYSA-N 350.809 5.082 0 1 FKAF CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@H](O)CO 238754233 QHNOMDOVTRGCDL-CWBXHPNXSA-N 372.634 5.822 0 1 FKAF O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1cc2ccccc2o1 299852718 WRGNPQZRNKVMJR-UHFFFAOYSA-N 373.252 5.723 0 1 FKAF CC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2c1 586879358 OSPBTLNBGVLQGW-UHFFFAOYSA-N 370.408 5.106 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc4cc[nH]c34)nc3ccc(O)c1c23 586989439 ITENDVWNLBFRLK-UHFFFAOYSA-N 362.388 5.300 0 1 FKAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2cnc3ccccc3c2[nH]1 587048733 JUDFAIPXHQSZSI-NWDGAFQWSA-N 354.240 5.689 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]3c1cccc(F)c1 587104324 SCTQIERONHASOH-GOSISDBHSA-N 351.380 5.273 0 1 FKAF CC(C)(C)Oc1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)c(N)cc1F 587135873 HBRKKZFTDXJMFZ-UHFFFAOYSA-N 353.441 5.007 0 1 FKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc3c(c2[nH]1)CCCC3 587150898 UPQKGOSZIKZGQM-HSZRJFAPSA-N 371.459 5.782 0 1 FKAF O=C(c1ccc(SC(F)(F)F)cc1)c1coc2ccc(Cl)cc12 587277830 FKVGHIQVGBWLCC-UHFFFAOYSA-N 356.752 5.929 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(Cl)ccc1OC)CC2=O 587461025 IVNDJAFSWODPEF-OAQYLSRUSA-N 374.864 5.277 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(CC)cc(CC)cc1CC)CC2=O 587479691 ITYXYPGVEDVCPS-QFIPXVFZSA-N 366.501 5.738 0 1 FKAF O=C1C[C@H](c2c[nH]c3cc(Cl)ccc23)Oc2c1ccc1c2CCCC1 587502078 STFYQVXHHKPSGF-HXUWFJFHSA-N 351.833 5.407 0 1 FKAF CC[C@H](C)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587527087 UQRVFNJKSHOJQI-WNSKOXEYSA-N 364.485 5.794 0 1 FKAF COc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587531895 IRMMKSBGCSIQLY-HSZRJFAPSA-N 374.436 5.541 0 1 FKAF Cc1ncn(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1C 587627672 HUALBOOMPCTTSQ-UHFFFAOYSA-N 361.289 5.316 0 1 FKAF Cc1ccc(-c2[nH]c3cc(F)ccc3c2C(=O)c2cccc(F)c2)c(O)c1 587634472 GKIUBSKPUBSBJT-UHFFFAOYSA-N 363.363 5.358 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(Cl)c2)N1 587729643 HVMGKSYGUVJSSE-VPTHRUTESA-N 372.640 5.004 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/C2CCCCC2)N1 587814042 FQIUTHLMKQWVDD-IEIIEHMNSA-N 366.318 5.474 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccccc2)N1 587816125 UQYWSSNAJDOGMR-QUEUSCEUSA-N 360.270 5.051 0 1 FKAF CCCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587817387 BQRLXVPDKJNYQO-BLVKFPJESA-N 362.286 5.164 0 1 FKAF Cc1ccc2c(c1)[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587818393 RIIYOQSIYZVLSQ-RNODOKPDSA-N 374.297 5.011 0 1 FKAF Cc1ccc([C@H](C)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587818745 JCIOTZXMZMRHBH-QHRIQVFBSA-N 362.286 5.276 0 1 FKAF Cc1ccc2oc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587833748 OUINNHRXNWWWFG-WYRIXSBYSA-N 374.253 5.266 0 1 FKAF CCC[C@]1(c2ccsc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587853069 KONPZYJBROSGIL-APPDUMDISA-N 368.315 5.228 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2c(CC)cccc2s1 587871762 BGIDFSMAGDYRTR-UHFFFAOYSA-N 367.449 5.249 0 1 FKAF Oc1ccc(-c2ccc(-c3nc(-c4cc(F)ccc4F)cs3)cc2)cc1 587922721 XTXRKXTZWMDDCC-UHFFFAOYSA-N 365.404 6.128 0 1 FKAF Cc1cc(OC(C)(C)C)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O 587943145 NOTODQPWFABBAH-UHFFFAOYSA-N 372.292 5.763 0 1 FKAF CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1 653712838 TVAUKYVCQKTZTD-UHFFFAOYSA-N 353.550 6.100 0 1 FKAF CC(C)c1ccc(-c2cc(CN3CCOCC3)nn2C2CCCCC2)cc1 1857585714 MOYZECYOSUOYQP-UHFFFAOYSA-N 367.537 5.011 0 1 FKAF CO[C@@H](C1CCCCC1)[C@@H](C)C=CCC(=O)OCCCc1ccccc1 1857623339 WFDPQRQYLWKFNQ-WMZHIEFXSA-N 358.522 5.340 0 1 FKAF CC1=CC[C@]2(C)CC[C@H]([C@H](C)CO)[C@@H]2CC=C(C)[C@@H]2CC[C@@H](C)C2=CC1 2356325951 RTSBHYOVQSBPLR-UBSFSKHRSA-N 356.594 6.696 0 1 FKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@]3(OC)CC[C@@]21C)C(C)C 2356473695 NXGGSWGPPXFCIU-KYPQIDAOSA-N 360.538 5.513 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO 2356595235 YHTCXUSSQJMLQD-UHFFFAOYSA-N 358.610 7.851 0 1 FKAF C[C@H]1C[C@@H](C)C[C@@]2(C)[C@H]1c1c(O)ncc(-c3ccc(O)cc3)c1O[C@@H]2C 2356874310 YUVRNJMVVICARN-MPSXPMQZSA-N 353.462 5.097 0 1 FKAF Cc1ccc2c(c1)C(C1=C[C@H](C)N(C)CC1)=Nc1cc(Cl)ccc1N2 2382224050 GZPZODMRVSFNMX-AWEZNQCLSA-N 351.881 5.477 0 1 FKAF Clc1ccc(-c2c[nH]cc2[C@@H](c2ccccc2)n2ccnc2)cc1Cl 5974693 OVOQXMFWIPCZMN-HXUWFJFHSA-N 368.267 5.823 0 1 FKAF CC(C)=CCC/C(C)=C/CCCCC[C@@H](P(=O)(O)O)[P@](C)(=O)O 13742065 SGHSEOAKCTYRFU-RBFDBLARSA-N 366.375 5.034 0 1 FKAF CCCc1cc2c(s1)CN(C)C[C@@H]2c1ccc(Br)cc1 38157570 MEBGJFJGTRYFQQ-MRXNPFEDSA-N 350.325 5.040 0 1 FKAF CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(C[C@H](C)C[C@H](C)O2)c2ccccc21 66136508 FCLSDSXDBAGLFT-GXVFSQJQSA-N 367.533 5.756 0 1 FKAF CC(=O)Oc1cc2c(cc1Cl)N(Cc1ccccc1)C(C)(C)C=C2C 66259342 VSXTYHFYVZDUBM-UHFFFAOYSA-N 355.865 5.467 0 1 FKAF CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1CC(CC)CC 72179412 BIWJITFTDIQXLE-UHFFFAOYSA-N 365.348 6.554 0 1 FKAF O=C(c1ccc2ccccc2c1)N(c1ccc(O)cc1)c1ccc(O)cc1 96173896 VZENDFWNJCXHBN-UHFFFAOYSA-N 355.393 5.230 0 1 FKAF Cc1ccccc1Nc1nnc(Nc2nc(-c3ccccc3)cs2)s1 103213751 SJNCWYVUWSDPTG-UHFFFAOYSA-N 365.487 5.457 0 1 FKAF CCCCCc1cc(OC)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)O 138684915 VAFRUJRAAHLCFZ-GHRIWEEISA-N 374.521 6.067 0 1 FKAF Cc1ccc(C(=O)Nc2ccc([C@H]3CC[C@@H](N4CCC[C@@H]4C)C3)cc2)cc1 147013990 ZTZCKWZWWFWOMI-AVCGJXAMSA-N 362.517 5.368 0 1 FKAF COc1ccc(-c2cc3cc(OC)ccc3nc2[C@H](O)c2ccccc2)cc1 169312329 QHCWUPHEMKOHNQ-XMMPIXPASA-N 371.436 5.001 0 1 FKAF CCN(c1ccc(OCC(C)C)c(C(C)C)c1)c1ccc(C(=O)O)cn1 208972471 QNFFQLHRCGJHHN-UHFFFAOYSA-N 356.466 5.096 0 1 FKAF CC(C)=CCc1cccc2c(C(C)(C)/C=C/c3cccc4cc[nH]c34)c[nH]c12 238741949 RPMTXMOMVGUPIS-FYWRMAATSA-N 368.524 7.149 0 1 FKAF CCCCC/C=C\C=C/CCCCCCCCc1cccc(O)c1C(=O)O 238751304 YEMBMEOYBBHCGI-JPDBVBESSA-N 372.549 7.056 0 1 FKAF C/C1=C\[C@H](OC(=O)/C=C/c2ccccc2)[C@H](C(C)C)CC/C(C)=C/CC1 238754271 WFXRZGNFMQPULF-XVHMNCGKSA-N 352.518 6.350 0 1 FKAF COc1ccc(-c2c[nH]c3ncc(-c4cc(F)cc(F)c4)cc23)cc1OC 299830394 VAZZPGDOXAXWLA-UHFFFAOYSA-N 366.367 5.192 0 1 FKAF FC(F)(F)Sc1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586885559 WJLMMBAHXAIGAA-BTIUKSQHSA-N 352.425 5.643 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(Cl)ccc4O)nc13)-c1ccccc1C2=O 586994363 ZFMDGEWABUFAHM-UHFFFAOYSA-N 371.823 5.781 0 1 FKAF CC(=O)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587015965 LKUOUTCYOLFKPE-UHFFFAOYSA-N 353.834 5.209 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587066505 OXCREQZVLFMLCT-SECBINFHSA-N 372.749 5.823 0 1 FKAF Cc1ccc2c3c(cc(Cc4c[nH]c5ccccc45)nc13)-c1ccccc1C2=O 587098394 XPNZSRUWGBDVBM-UHFFFAOYSA-N 374.443 5.827 0 1 FKAF CC(=O)[C@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)C(C)(C)C 587099360 FZVRNEPGTOQMAC-OAQYLSRUSA-N 357.453 5.473 0 1 FKAF Cc1ccc(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587101273 LOSFEYQUTULKDF-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF Cc1cccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c12 587129885 NFGGZLPNRVSAFZ-ZETCQYMHSA-N 360.742 5.206 0 1 FKAF Clc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Cl 587230807 ZWMNMDLMJSGQLJ-UHFFFAOYSA-N 369.255 5.544 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)cc1 587241771 ANSZIOUTVZPTDV-UHFFFAOYSA-N 352.397 5.227 0 1 FKAF O=C1c2ccc(O)cc2OC2(CCCCCCC2)[C@@H]1c1ccc(F)cc1 587356031 YHDAMMFLMFFVNJ-HXUWFJFHSA-N 354.421 5.373 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](OC2CCC2)C3)c1 587365615 MTTFJNOJRYOEHP-FQEVSTJZSA-N 371.436 5.823 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(Cl)cc1)O2 587376953 DYQRXHXKHROWGQ-QFIPXVFZSA-N 363.844 5.140 0 1 FKAF CCCCCN(C)c1ccc(F)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587385483 OJHWAVVGNBLENH-NRFANRHFSA-N 370.468 5.049 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1nc3c(s1)CC(C)(C)CC3)CC2=O 587496117 RQMMLBPOCCOFNK-QGZVFWFLSA-N 371.502 5.023 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCCC(F)(F)F)N1 587709145 ISBYZPLIZMDQCY-YMTOWFKASA-N 368.212 5.070 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C(F)F)N1 587718931 PEDVSSCTKVCMOX-ABKXIKBNSA-N 370.212 5.149 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2CCCCCC2)N1 587818197 GPUWGCPZRHANHV-KPZWWZAWSA-N 354.307 5.524 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](c3ccccc3)C2)N1 587819647 WFVVCRBXSQNXIR-AGKSTNPPSA-N 374.297 5.285 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccsc2)N1 587852800 JDZQFNUYIHMBEN-APPDUMDISA-N 368.315 5.032 0 1 FKAF O=C(c1ccccc1Oc1ccccc1)n1nc2cc1Oc1ccc(F)cc1-2 587874248 ZINDQGOJNNRCQK-UHFFFAOYSA-N 372.355 5.276 0 1 FKAF CCOC(=O)COc1cccc(-c2nc(-c3ccc(C)c(C)c3)cs2)c1 587921318 UKJBBIUGZYEKPE-UHFFFAOYSA-N 367.470 5.036 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(-c4ccccc4)cc3)n2)cc1 587924668 ICEOULSJDMYFEO-UHFFFAOYSA-N 359.519 6.866 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587955858 VHJGQDBQUOVWMD-UHFFFAOYSA-N 369.337 5.246 0 1 FKAF CCCCC[C@@]1(c2ccc(O)cc2)NCCc2c(OC)ccc(Cl)c21 963269261 HIDAGIFZSCEIGJ-NRFANRHFSA-N 359.897 5.024 0 1 FKAF CC(C)=CCC[C@]1(C)C[C@H](CC=C(C)C)[C@](C)(O)C(=O)[C@H]1C(=O)C(C)C 1772580117 BJOJGRRRDZLIFP-CSGUBPAMSA-N 362.554 5.277 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1ccco1 2356386976 CBZSGZRVUFWMHQ-UHFFFAOYSA-N 354.578 8.358 0 1 FKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OCC)[C@@]2(C)[C@@H]1C 2356493370 QVCCBGBILDRMPT-NUWCDWITSA-N 360.494 5.152 0 1 FKAF CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c2c3c(cc(=O)oc13)[C@@H](CC)O2 1650657 UIUQJKPWTIMLDM-SWLSCSKDSA-N 370.445 5.080 0 1 FKAF biogenic COc1cc(N[C@@H](C)CCCN)c2nccc(/C=C/C3CCCCC3)c2c1 5929397 ZLGJEKZBEBWUKB-DVQDXYAYSA-N 367.537 5.376 0 1 FKAF CCCCCC[S@@](=O)c1cc(-c2ccccc2)c(-c2ccccc2)nn1 13470397 GJWUBEJVSBCJLF-SANMLTNESA-N 364.514 5.499 0 1 FKAF Fc1ccc(-c2[nH]c(SCC3CCCCC3)nc2-c2ccncc2)cc1 27524350 CAXPCAMMJKMUGX-UHFFFAOYSA-N 367.493 5.950 0 1 FKAF O=Cc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 59246044 HNMKJAMNMBXVQK-UHFFFAOYSA-N 350.421 5.642 0 1 FKAF CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1CCN1CCCCC1 72122966 DHUUHEYALVQGSS-JOCHJYFZSA-N 367.924 5.281 0 1 FKAF Cc1ccccc1Nc1oc(-c2ccccc2)nc1/C=C\c1ccccc1 73057920 CXMOGNBPOSKCFY-MSUUIHNZSA-N 352.437 6.564 0 1 FKAF C[C@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 85554643 IMSLBKHRWPJCJZ-JILLZZLSSA-N 374.609 5.725 0 1 FKAF CCCCCc1c(C/C=C(\C)CCC=C(C)C)c(O)cc(O)c1C(=O)O 165959761 HTQPMCFHAWZLFU-FOWTUZBSSA-N 360.494 5.764 0 1 FKAF CC(C)CNC(=O)/C=C\CCCCCC/C=C\c1ccc2c(c1)OCO2 213244673 DOGZABSTLUIXJO-HWAYABPNSA-N 357.494 5.098 0 1 FKAF CCCNc1cc(NC(=O)c2c(F)cccc2F)cc(C(F)(F)F)c1 299838884 OOYSDFNECMAJEG-UHFFFAOYSA-N 358.310 5.058 0 1 FKAF Fc1cc(Cl)cc2nc(-c3cc(Br)ccc3Cl)[nH]c12 586980341 PLEDVFJXHJGXJX-UHFFFAOYSA-N 360.013 5.438 0 1 FKAF Brc1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587025045 FEFBNNDDLQZKBG-UHFFFAOYSA-N 355.260 5.721 0 1 FKAF COc1cc(/C=C/c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046671 JFRWYOFHIMJEMP-QPJJXVBHSA-N 374.843 5.569 0 1 FKAF Cc1c(Cl)ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587050485 PCHCOQHGQHCDTI-ZJUUUORDSA-N 351.664 6.103 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1ccoc1)CCC3 587205647 AVMFSMIIOZQMIE-HNNXBMFYSA-N 351.405 5.507 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CCC)([C@@H]1CCOC(C)(C)C1)CC2=O 587481955 NVCLMMMFXYWCTG-QRQCRPRQSA-N 360.494 5.054 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(SC)ccc31)CC2=O 587493971 VCSRITZJTPEBJZ-QFIPXVFZSA-N 368.498 5.264 0 1 FKAF Cc1c(F)ccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n(C)c12 587506523 UAFNFFYOXBDTEJ-NRFANRHFSA-N 363.432 5.211 0 1 FKAF Cc1cc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-n2cccn2)c1 587517841 WCMLKDKHHNLMFD-JOCHJYFZSA-N 372.468 5.074 0 1 FKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(C)C 587523707 OTBNZEZNMOPBAG-NRFANRHFSA-N 366.457 5.068 0 1 FKAF CC[C@H](C)Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525283 UKEDATLKRDLKCI-OYHNWAKOSA-N 350.458 5.449 0 1 FKAF O=C1C[C@H](c2cc(Br)cs2)Oc2c1ccc1c2CCCC1 587530754 HHKKVYFYEVSYSV-OAHLLOKOSA-N 363.276 5.096 0 1 FKAF Cc1ccc([C@]2(C3CCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587532288 KULRNKUTHRLUAE-HSZRJFAPSA-N 350.458 5.518 0 1 FKAF Cc1ccc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601453 GEGUANWBEDQBRL-ZJSXRUAMSA-N 374.436 5.054 0 1 FKAF Fc1cc(Br)cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 587969033 XXEOSPQXVJVPRM-UHFFFAOYSA-N 361.258 5.304 0 1 FKAF CSc1ccccc1[C@@]1(C2CCC2)c2ccc(F)cc2C[C@@H]2CCCN21 963115781 XOIORBCFCMWWNK-WMZHIEFXSA-N 367.533 5.612 0 1 FKAF CC(C)(C)c1nc(Nc2ccccc2)sc1Cc1ccc2c(c1)OCO2 1772605435 FCJHYKTXLSWXSF-UHFFFAOYSA-N 366.486 5.504 0 1 FKAF CCC(C)(C)c1ccc(OCCCCCCCN2CCC[C@@H](C)C2)cc1 1857538485 FWWPKYOBCUXAGM-OAQYLSRUSA-N 359.598 6.435 0 1 FKAF CC(C)=CCCC(C)=CCC[C@]1(C)Oc2cc(C)c(C=O)c(O)c2C[C@H]1O 2356325539 YKPVOJYAYMWOJZ-GGAORHGYSA-N 372.505 5.041 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C=C(OC5CCCC5)CC[C@@]43C)[C@H]1CC[C@@]2(C)O 2356452004 ZUBDXGHKAAMAAA-PROFCWERSA-N 370.577 6.153 0 1 FKAF O=C(O)CCCCCCCCCCCC=C[C@@H](O)C=C=CBr 2356751323 SDLIXPWBLXJLCF-RGUGMKFQSA-N 373.331 5.343 0 1 FKAF CC(C)Oc1cccc(Nc2nccc3c2cc(-c2ccccc2)n3C)c1 74387027 JMDCVCVHQQPQGD-UHFFFAOYSA-N 357.457 5.771 0 3 FKAF CCCCC[C@@H](C)OC(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C 1535433 MXQMBLGAVBSISP-MRXNPFEDSA-N 363.498 6.127 0 1 FKAF COc1cc2cc(CN[C@@H](C)c3cccc4ccccc34)[nH]c2cc1OC 27074866 QVBIXIVQVGEXLP-HNNXBMFYSA-N 360.457 5.189 0 1 FKAF CCC(=O)c1ccc2c(c1)[C@H](CCCN(C)C)c1cc(Cl)ccc1S2 27741853 QYEGBNZWFCEXLR-INIZCTEOSA-N 373.949 5.871 0 1 FKAF O=C(N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccncc1 27992202 IEQAMWGWNTXSEJ-UHFFFAOYSA-N 365.436 6.178 0 1 FKAF N=C(N)c1ccc2cc([C@@H]3C[C@@H]3c3ccccc3)cc(-c3ccoc3)c2c1 28353588 YWICPAXCVQQOLK-PKTZIBPZSA-N 352.437 5.655 0 1 FKAF Cc1c(-c2ccc(O)cc2)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12 28767632 QGVFEHIFVPHEPK-UHFFFAOYSA-N 363.844 5.730 0 1 FKAF Cc1cc[n+](CCCCCCCCCCCC[n+]2ccc(C)cc2)cc1 39114677 FIOKJPKMGGPBFQ-UHFFFAOYSA-N 354.582 5.480 0 1 FKAF C[C@@H](CNc1cc(-c2ccc(C(F)(F)F)cc2)ncn1)c1ccccc1 82161987 FWLIYAMVAWCXSN-AWEZNQCLSA-N 357.379 5.378 0 1 FKAF Oc1ccc(-c2noc(-c3ccc(O)cc3)c2/C=C\c2ccccc2)cc1 84706456 UESVJAKCJXHTKY-UUASQNMZSA-N 355.393 5.590 0 1 FKAF CCOc1cc2ncnc(Nc3ccc(Cl)c(C)c3)c2cc1OCC 84741302 FTVNPAIKBAHGAF-UHFFFAOYSA-N 357.841 5.133 0 1 FKAF CC(C)c1ccc(Nc2nc(N)nc3[nH]c4cccc(Cl)c4c23)cc1 95587485 UVJIXQFNEQVNDC-UHFFFAOYSA-N 351.841 5.214 0 1 FKAF Fc1ccc(COc2ccc([C@@H](C3CC3)n3cnc4ccccc43)cc2)cc1 96938215 RCKAOFXCUJVSBO-XMMPIXPASA-N 372.443 5.754 0 1 FKAF CC(=O)Oc1ccc(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@@H]32)c1 140336561 DRSPVCXBVVVLIJ-SVCSISOJSA-N 356.506 5.659 0 1 FKAF Cc1ncc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(C)c1Br 586978945 MCTYJEZRVSGVOE-UHFFFAOYSA-N 370.172 5.023 0 1 FKAF Cc1cccc(Cc2cnc3cccc4c3c2-c2ccccc2C4=O)c1F 587104283 RXJKSSZTYGRENY-UHFFFAOYSA-N 353.396 5.485 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)CCCC3 587114863 XYAUMOSYXKZMBG-CYBMUJFWSA-N 358.407 5.807 0 1 FKAF COc1c(F)cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1F 587135222 VOYDZTFVESECPW-UHFFFAOYSA-N 352.340 5.309 0 1 FKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cccc(C)c4[nH]3)cc2F)c1 587143740 YGFHSUHPUGVWCP-UHFFFAOYSA-N 366.823 6.006 0 1 FKAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc3ccccc3cc2[nH]1 587166823 APVDAXSYSMMOKH-HXUWFJFHSA-N 374.419 5.224 0 1 FKAF Cc1c(Br)cc2nc(-c3ccc4ccccc4c3N)[nH]c2c1C 587253649 FSCGJAKMJLHPMH-UHFFFAOYSA-N 366.262 5.345 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(=O)[C@@H](C)[C@@H]3C)c1 587365328 GTVPABALYGMGCU-STQMWFEESA-N 357.409 5.593 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(Cl)cc1Cl)CC2=O 587465595 IYANCRNNBGOTOP-QGZVFWFLSA-N 369.219 5.497 0 1 FKAF O=C1C[C@@H](c2cccc(CCCCF)c2)Oc2c1ccc1c2CCCC1 587502662 FWWYACIQLVUPMA-QFIPXVFZSA-N 352.449 5.564 0 1 FKAF O=C1C[C@@H](c2ccc3c4c(cccc24)CC3)Oc2c1ccc1c2CCCC1 587524139 KFXWFPJBVGRXKR-QHCPKHFHSA-N 354.449 5.524 0 1 FKAF O=C(c1c(-c2ccc3ccccc3c2)[nH]c2cccc(F)c12)C(F)(F)F 587633637 ILYROYUFMWEJRS-UHFFFAOYSA-N 357.306 5.872 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccccc2Cl)N1 587692580 BIQUFESAVXFJJJ-DYZYQPBXSA-N 368.677 5.060 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@H]2c2ccccc2)N1 587816133 URDKEYGAZHQLET-JNEVDQRJSA-N 374.297 5.141 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2-c2nccs2)N1 962943382 GRQHGMZNGGWQDS-VBKZILBWSA-N 359.498 5.305 0 1 FKAF Cc1c(F)ccc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1C(F)(F)F 963117588 XCUMOWYORNOWGX-ORAYPTAESA-N 367.361 5.402 0 1 FKAF COc1ccc2c(c1)[C@]1(CC[C@H]1C(C)C)N(Cc1ccc(F)cc1)CC2 963305383 XNBDCZRZTKNYMP-JTHBVZDNSA-N 353.481 5.154 0 1 FKAF Cc1cccc(CNc2ccc(-c3nc4nc(C)ccc4o3)cc2Cl)n1 1772622969 KYNREEGJWKNBIL-UHFFFAOYSA-N 364.836 5.167 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1cn(CO)nc1-2 1857619531 UEPPVRZAICCUMI-UHFFFAOYSA-N 372.509 5.081 0 1 FKAF Cc1cc(-c2nccc3c(Nc4cccc(Cl)c4F)c(N)oc23)ccn1 1857769932 BJHKLOYAHJVGCH-UHFFFAOYSA-N 368.799 5.317 0 1 FKAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(-c4ccsc4)nc3[C@H](C)[C@@H]21 2356519738 OEDBQTSAAZMVMA-PODAVGJHSA-N 373.543 5.125 0 1 FKAF CC1(C)OC[C@H]([C@]2(C)C=C3CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC2)O1 2356774883 FJZIWOWYBFGDBI-HZOWKKAVSA-N 362.554 5.078 0 1 FKAF COc1ccc(N2C(=S)N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 2382226559 RDNVAXRZOSLCCO-JOCHJYFZSA-N 372.493 5.421 0 1 FKAF O[C@@H](c1cccc(Cl)c1)c1nc(-c2csc3ccccc23)cs1 61930193 HLHMGKIBVYQCOH-KRWDZBQOSA-N 357.887 5.760 0 3 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNC(=O)CCO 13679524 FYLOWTBDBGDCHK-DOFZRALJSA-N 361.570 5.631 0 1 FKAF C[C@H]1CC=C[C@H]2[C@@H](c3ccc4ccccc4c3)N(Cc3ccccc3)C(=O)[C@H]12 13829856 RBOGTOKHHDCLPU-CMRTURKBSA-N 367.492 5.752 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCc1cc(O)cc(O)c1 34727281 RSALAWVRGTZYEZ-JLNKQSITSA-N 366.545 7.172 0 1 FKAF O=C(Nc1cccc(-c2ccc(CN3CCCC3)cc2)c1)c1cccc(F)c1 45202704 OVUOXCXVIOOTFL-UHFFFAOYSA-N 374.459 5.341 0 1 FKAF Clc1cccc(CN[C@@H]2CCCC[C@H]2NCc2cccc(Cl)c2)c1 66097632 GRZTZGHRHOSRLV-WOJBJXKFSA-N 363.332 5.184 0 1 FKAF CCCC(CCC)NCc1coc(-c2ccccc2Br)n1 72102843 ZNESYMTUQHKKKP-UHFFFAOYSA-N 351.288 5.163 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OCCCC)c(F)c2)n1 72184874 FIXONOIJEHMZAY-MRXNPFEDSA-N 362.489 5.718 0 1 FKAF COc1ccc(OC)c(NCc2coc(-c3ccc(C(C)(C)C)cc3)n2)c1 72186404 LQJBZQFZCQANAJ-UHFFFAOYSA-N 366.461 5.268 0 1 FKAF Cc1cnc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc(F)cc2)o1 82164159 XDGWVALTPSGQCU-UGSOOPFHSA-N 366.440 5.237 0 1 FKAF C[C@@H](N[C@H]1CC[C@@H](c2ccc(C(=O)O)cc2)C1)c1cccc2ccccc12 118165337 RVOJEPPTKATVSU-HBGVWJBISA-N 359.469 5.525 0 1 FKAF C[C@H](c1ccc(Cl)c(Cl)c1)n1cnc2cc3c(cc21)CC(C)(C)C3 147127698 CKQDMLAIFBUVML-GFCCVEGCSA-N 359.300 6.077 0 1 FKAF CC1(C)OC[C@@H]([C@@]2(C)CC[C@@]3(C)[C@@H](CC=C4[C@@H]3CCC[C@@]4(C)CO)C2)O1 238747591 NHRGVCNVNSXKEO-YZKULWDZSA-N 362.554 5.079 0 1 FKAF Fc1ccc(O[C@H](CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1F 299839427 RPBPOTIIGUEQSZ-QGZVFWFLSA-N 358.215 5.001 0 1 FKAF Fc1cc(-c2ccsc2)cn2c(Cc3ccc4ncccc4c3)cnc12 473128037 YAKWNNPRZYJPDP-UHFFFAOYSA-N 359.429 5.341 0 1 FKAF c1cc2c(cc1-c1nc(-c3nc4ccc5c(c4[nH]3)CCCC5)cs1)CCO2 587018150 XLPWSEGHDDATDK-UHFFFAOYSA-N 373.481 5.167 0 1 FKAF CC(C)Oc1cc2nc(/C=C/c3ccsc3)[nH]c2cc1Br 587026668 WOKKVLWSFHCWCJ-ONEGZZNKSA-N 363.280 5.345 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(C(F)(F)F)cc2[nH]1 587066864 TWZGYAHGOUZSNE-SNVBAGLBSA-N 354.759 5.684 0 1 FKAF Cc1cc(C)c2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071820 SJLGNRAAKAPQTC-UHFFFAOYSA-N 362.860 6.079 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587171042 XKYRYLBNKVVSOZ-SECBINFHSA-N 372.362 5.756 0 1 FKAF O=C(O)CCc1c(-c2ccc(Cl)c(Cl)c2)nc2cccc3c2c1CC3 587209515 QMAHUKWTMKHZOK-UHFFFAOYSA-N 372.251 5.324 0 1 FKAF COc1c(Cl)cc(C(=O)c2coc3ccc(Cl)cc23)cc1Cl 587278678 QYXRWTXQRNDKRK-UHFFFAOYSA-N 355.604 5.633 0 1 FKAF CC[C@H](C)[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353162 OAKCJEHDYJBFHI-IAJRUTPKSA-N 368.448 5.475 0 1 FKAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc1C 587359788 ZRHVUJKWOXXKBO-RBBKRZOGSA-N 366.388 5.015 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)c(C)cc1OC)CC2=O 587459349 HZYHFFKSORUKRS-NRFANRHFSA-N 374.864 5.196 0 1 FKAF O=C1C[C@]2(CC=C(c3ccc(F)cc3)CC2)Oc2c1ccc1c2CCCC1 587508540 PTRQAKWPGBRBSM-XMMPIXPASA-N 362.444 5.676 0 1 FKAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1ccc(F)cc12 587510797 WSVMCERCZQWGDR-RUZDIDTESA-N 370.423 5.594 0 1 FKAF CC(C)=C1NCCc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587528269 YLAVBDLJOWNLPH-QHCPKHFHSA-N 373.496 5.169 0 1 FKAF Cc1cc(C)c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587603222 ODLHRFFSWNUQAW-URXFXBBRSA-N 374.436 5.329 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(-c3nc4ccccc4[nH]3)c2c1 587643161 ZELMFIVNJXYILQ-NSHDSACASA-N 357.379 6.244 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccsc2)N1 587851166 BDICSNUJUFUVDU-PIGZYNQJSA-N 368.315 5.032 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C)c(F)c1 587856523 XMINKNQRPSDREF-UHFFFAOYSA-N 365.235 5.692 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cc(C(C)=O)ccc4[nH]3)cc2)cc1OC 587928786 LOWPZPFJIXUUAX-UHFFFAOYSA-N 372.424 5.117 0 1 FKAF CC/C(=C/c1nc2cc(C)cc(Br)c2[nH]1)c1ccc(C)cc1 587967979 QVEDFDNWNSTRDT-KAMYIIQDSA-N 355.279 5.893 0 1 FKAF CCCCCC(=O)C[C@]1(c2ccccc2)NCCc2cc(C)c(F)cc21 962091592 LBKNIKAUNGGINX-HSZRJFAPSA-N 353.481 5.063 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2OC)(C2CCCC2)N1 962942573 FWLOVRDAGHKZHS-CJAUYULYSA-N 374.528 5.535 0 1 FKAF Cc1ccc2c(c1)N=C(C1=C[C@H](C)N(C)CC1)c1cc(Cl)ccc1N2 2382232254 BVWADVPUSLVRJC-AWEZNQCLSA-N 351.881 5.477 0 1 FKAF CC(C)c1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccccc4)ccnc3O2)cc1 61925900 MDFGWNMOAJUKJO-XMMPIXPASA-N 372.468 5.204 0 3 FKAF COc1ccc(-c2c(-c3ccc4c(c3)OCO4)c3ccccc3n2C)cc1 61969124 QACUFOFHQYYCCS-UHFFFAOYSA-N 357.409 5.250 0 3 FKAF Clc1ccc(Cn2c(SCc3ccccc3)nc3ccccc32)cc1 5238750 GCXJQZIJYZOYJU-UHFFFAOYSA-N 364.901 6.030 0 1 FKAF COc1cccc2c1-c1ccc3c(c1[C@@H](CC(C)C)O2)C(C)=CC(C)(C)N3 13470796 LUJGLEQFDNFEOE-HXUWFJFHSA-N 363.501 6.449 0 1 FKAF Fc1ccccc1O[C@@H](CCN1CCc2ccccc2C1)c1ccccc1 13530610 QKURRGIUBRBIHH-QHCPKHFHSA-N 361.460 5.394 0 1 FKAF CNCC[C@H](Oc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1 13588069 WGXGFDYUAPSJDQ-IBGZPJMESA-N 359.391 5.588 0 1 FKAF C[C@H](C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(F)(F)F 13672520 PZXYWNSQNSTWRQ-VIFPVBQESA-N 362.269 5.579 0 1 FKAF CON(C)CCCCCCCCCCCCCCCc1ccc[n+](C)c1 14885517 UCGOBIVMMZGWNF-UHFFFAOYSA-N 363.610 5.618 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1CO 28758635 PXIUKNZZVMKJHV-UHFFFAOYSA-N 369.549 5.713 0 1 FKAF Cc1cc2c(cc1C(=C1CC1)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 28758990 BZJCZXWWMFFDGB-UHFFFAOYSA-N 374.524 6.638 0 1 FKAF Cc1cc2cccc(-c3cc(C)c4c(c3Cl)[C@H](C)CC(C)(C)N4)c2[nH]1 29043489 ZCTMUXCBNPHOEP-CYBMUJFWSA-N 352.909 6.803 0 1 FKAF c1ccc(-c2cc3ccc(N4CCCCC4)nc3nc2N2CCCCC2)cc1 32063625 YOPBVCXFTIASAK-UHFFFAOYSA-N 372.516 5.277 0 1 FKAF Cc1cc(Nc2nc(Sc3ccc(Cl)cc3)nc3ccccc23)n[nH]1 34282508 KTRJFPLINHVYDK-UHFFFAOYSA-N 367.865 5.210 0 1 FKAF CC(C)(C)c1ccc(CSc2nc(N)cc(Cc3ccccc3)n2)cc1 49050512 ZSSOITXPGLBKOV-UHFFFAOYSA-N 363.530 5.239 0 1 FKAF CSc1ccc([C@H]2CC(c3cccc(N)c3)=NN2c2ccccc2)cc1 49088384 KJLFAFDSRDXKAB-JOCHJYFZSA-N 359.498 5.346 0 1 FKAF FC(F)(F)c1ccc(-c2cc(-c3ccccc3-c3ccccc3)n[nH]2)cc1 49113129 FAXNWHVSJJAJRI-UHFFFAOYSA-N 364.370 6.430 0 1 FKAF Cc1cc(O)c2c(c1C=O)OCC(CC[C@H]1[C@@H](C)CCCC1(C)C)=CC2 66079936 WMYGPGWEPCFRQM-YWZLYKJASA-N 356.506 5.617 0 1 FKAF CC(C)Oc1ccc(-c2nc(CNC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)co2)cc1 72182162 RZEWEFDONDUPGK-WFXMLNOXSA-N 368.521 5.291 0 1 FKAF COc1ccc(Cl)cc1-c1cc(N[C@H](C)c2ccc(F)cc2)ncn1 82162379 RXYVUTLCTBKPKT-GFCCVEGCSA-N 357.816 5.118 0 1 FKAF NCCS[C@](Cc1ccccc1)(c1ccccc1)c1cccc(Cl)c1 84653105 SDPXBXLXBUVGPF-JOCHJYFZSA-N 367.945 5.518 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)nc(-c3ccc(Cl)cc3)c2)c1 95553079 WSKFEYHWVUVYMQ-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF COc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(CN)c2cc1OC 95561281 ORUOZVJXYNYAMD-UHFFFAOYSA-N 370.452 5.045 0 1 FKAF O=C(O)CCCCCCCCCCC[C@@H]1C[C@H]2[C@H]1[C@H]1[C@H]2[C@@H]2[C@@H]3CC[C@@H]3[C@@H]12 102184855 ZPDCFDULRXOVLT-UQASEUKMSA-N 358.566 6.146 0 1 FKAF Cc1noc(C)c1-c1ccc2c(c1)ncn2Cc1ccc(Cl)c(Cl)c1 169322619 YSMXQHJOVJYEPD-UHFFFAOYSA-N 372.255 5.663 0 1 FKAF Cc1c(Br)cnc2[nH]c([C@H](C)SCc3ccccc3)nc12 586963600 PDEYRKFARUYDPO-NSHDSACASA-N 362.296 5.023 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CCCC[C@@H]1CC3 586989721 CXXXKHXOERAVBV-ZIAGYGMSSA-N 355.437 5.372 0 1 FKAF Cc1ccc2c3c(cc(C(=O)c4ccc(F)cc4)nc13)-c1ccccc1C2=O 586994704 COGGQPLTHBVQAI-UHFFFAOYSA-N 367.379 5.125 0 1 FKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)s1 587014033 GIYJHFFYOUUVLZ-QMMMGPOBSA-N 373.375 5.250 0 1 FKAF Brc1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2n1 587024801 CXNAGRCZYXWSGX-UHFFFAOYSA-N 356.248 5.116 0 1 FKAF Cc1nccc2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc12 587048545 XDERVNFQWOVCID-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2cncnc2[nH]1 587051631 QLCQBPFLWCMEHL-UHFFFAOYSA-N 356.816 5.494 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H](c1ccoc1)CCC4)-c1ccccc1C2=O 587101390 MTBPNXULYCVSBB-MRXNPFEDSA-N 365.432 5.816 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 587163911 NRTWRVASZDXDSG-UHFFFAOYSA-N 364.779 6.029 0 1 FKAF Cc1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166035 KYGJRPAJCJOBCM-UHFFFAOYSA-N 374.341 5.097 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)c1 587235894 RSHGMCFMNUGJSZ-UHFFFAOYSA-N 369.255 5.640 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C2CC2)CC3)c1 587365338 GUALFNKBBRCJTK-QGZVFWFLSA-N 355.437 6.096 0 1 FKAF CC[C@@]1(c2ccc(F)cc2C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 587381219 HSCFEPSYSZLZKU-SFHVURJKSA-N 367.342 5.006 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(SC4CCCCC4)o1)[C@@H](C2)C3=O 587451043 IQBNMXLZMZSRNZ-BTYIYWSLSA-N 370.470 5.202 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1sc4scc(C)c4c1C)[C@@H](C2)C3=O 587454189 VNWZLDUBYWUANX-SJCJKPOMSA-N 356.468 5.077 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(F)c(Cl)c1)CC2=O 587468924 ZMJANPJWZBEGKS-INIZCTEOSA-N 369.219 5.497 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CC[C@@H]1C(C)C 587484495 SJQCLJUFURMFES-DVECYGJZSA-N 364.485 5.424 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@H](C)CC)cc1)CC2=O 587484817 NRVDXXLIJHOILY-SPLOXXLWSA-N 354.446 5.229 0 1 FKAF COc1ccc2c(c1)C(C)(C)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587522807 HSSFXZUXIQVFCV-XMMPIXPASA-N 362.469 5.116 0 1 FKAF CCOC(=O)C[C@@]1(CCCC(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587524954 OOKNPMMJKKYMLN-HSZRJFAPSA-N 372.505 5.049 0 1 FKAF CCSc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533234 RNAFXYCBJJPHLK-JOCHJYFZSA-N 352.499 5.558 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2Cl)N1 587696051 KPPFAYLYGPRKHR-BTDLBPIBSA-N 368.677 5.039 0 1 FKAF CCCOc1cccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587778046 GDGCTNRAZGPDAR-UHFFFAOYSA-N 368.786 5.615 0 1 FKAF CC(C)CC[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587817786 BAJUNQJXWHMGGN-RFUYNDQBSA-N 368.334 5.554 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](c3ccccc3)C2)N1 587819649 WFVVCRBXSQNXIR-KPHUOKFYSA-N 374.297 5.285 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCC2CCCCC2)N1 587820781 RAWWZBYEWMXDCV-BLLLJJGKSA-N 354.307 5.524 0 1 FKAF CCCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587849794 VNMNFCKHEMQGHQ-BMLIUANNSA-N 368.315 5.226 0 1 FKAF CC(C)(C)Sc1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 587922443 QXIJGPQBAWEMSW-UHFFFAOYSA-N 361.482 6.646 0 1 FKAF Fc1ccc(-c2csc(-c3ccc(OC(F)(F)F)cc3)n2)cc1F 587922453 RGQBDDGWZTVOKV-UHFFFAOYSA-N 357.303 5.654 0 1 FKAF Cc1cc2ncn(CCc3nc(-c4ccc(F)c(F)c4)cs3)c2cc1C 587922696 WMTWVIAOHPKSMT-UHFFFAOYSA-N 369.440 5.298 0 1 FKAF CN1CCC[C@@H](c2ccc3c(c2)CC[C@H]3N(C)Cc2ccc(Cl)cc2)C1 653805856 UOBRTKRGDGOYCS-NFBKMPQASA-N 368.952 5.269 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(C)(C)C)c1ccnc(Cl)c1 963241586 NAQMHUOSPVERTR-GAJHUEQPSA-N 370.968 6.071 0 1 FKAF CC1=CC[C@H](C(C)C)c2cc(C)c(OC(=O)c3ccc(Cl)cc3)cc21 1772602527 KEDPSSLUXXTESQ-GOSISDBHSA-N 354.877 6.414 0 1 FKAF C[C@@H](Nc1ccccc1-c1cccc2c1[nH]c1ccccc12)C(F)(F)F 1857758088 DPDLGRPNFVPIHU-CYBMUJFWSA-N 354.375 6.351 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCc1c(C)[nH]c2ccccc2c1=O 2356415387 JHMLNOXMSHURLQ-UHFFFAOYSA-N 363.545 6.798 0 1 FKAF C[C@@H](O)CCCCCCCCCCCCCc1cccc(O)c1C(=O)O 2356855165 RADCIILJHZXQTQ-GOSISDBHSA-N 364.526 5.695 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)CC(c2ccncc2)=NO1 12725648 SDFXQTNMVAOIEY-LJQANCHMSA-N 369.877 5.207 0 3 FKAF Fc1cccc(Cl)c1[C@H]1SCc2nc3cc4ccccc4cc3n21 1649641 XFDWUSABMXHHMJ-LJQANCHMSA-N 354.837 5.776 0 1 FKAF O=C(C[C@@H](C(=O)c1cccs1)c1ccsc1)c1ccc(Cl)s1 6513115 ZGXNMTVHFWADMX-LLVKDONJSA-N 366.916 5.764 0 1 FKAF C1=C(CCN2CCOCC2)c2ccccc2/C1=C\c1cccc2ccccc12 13782398 RTRAPBQOJODDGH-NKFKGCMQSA-N 367.492 5.500 0 1 FKAF C[C@@H]1CC=C([C@@H](Oc2ccc(Br)cc2)c2ccccc2)CC1 26848671 JPPODZMGZNOWLX-QRWLVFNGSA-N 357.291 6.316 0 1 FKAF O=C(Nc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1)c1ccccc1 28562825 AFPFMBSXFJWYCF-UHFFFAOYSA-N 374.223 5.744 0 1 FKAF CCOC(=O)c1ccc(NCCCc2ccc(Cl)c(Cl)c2)cc1 29203657 FHNJHCCLLBQZPA-UHFFFAOYSA-N 352.261 5.215 0 1 FKAF CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CCc1ccccc1)CC3 40640798 ILPOFDRRJCJAHC-SKBVVQJISA-N 373.540 5.190 0 1 FKAF C/C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 59440297 VQPMXTYBBIBWJS-NCELDCMTSA-N 373.496 5.312 0 1 FKAF Cc1cccc(C)c1-c1cccc(COc2ccc([C@H](C)CC(=O)O)cc2)c1 66104949 BBONBXQNPVADJZ-LJQANCHMSA-N 374.480 6.128 0 1 FKAF CCCCCCCCCCCCCC(=O)C1=C(O)CC(C)(C)CC1=O 70672649 DNKVICZZPBUMRD-UHFFFAOYSA-N 350.543 6.458 0 1 FKAF biogenic Cc1ccc(Oc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1C 72177568 MSTNVDHTLOFNSC-UHFFFAOYSA-N 367.663 5.866 0 1 FKAF C=C[C@@H]1CSC(C[C@H](C)[C@H](C)C[C@H](C)CCN(C)C(=O)[C@@H](C)CC)=N1 85955726 PHYRFZDJEDWWKT-MTHXSQLBSA-N 366.615 5.269 0 1 FKAF biogenic Fc1ccc(C(F)(F)F)cc1-c1csc(Nc2ccccc2Cl)n1 103229194 IHOYHRARIZBTIC-UHFFFAOYSA-N 372.774 6.365 0 1 FKAF CC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc2c1 586880482 ZQKZVRMXXPDQFC-UHFFFAOYSA-N 370.408 5.106 0 1 FKAF CCc1oc2ccccc2c1-c1nc2cc(C)cc(Br)c2[nH]1 586903974 OVKZTHDQYKKEQH-UHFFFAOYSA-N 355.235 5.609 0 1 FKAF CSc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586994586 XSSLJNINFZMLNJ-UHFFFAOYSA-N 369.445 5.541 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](c1ccccc1)CC3 587206674 GMOQHVWOBMOREQ-QGZVFWFLSA-N 361.444 5.719 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2)c1 587232906 DXDXWCVWKNFXBO-UHFFFAOYSA-N 353.469 5.817 0 1 FKAF O=C(c1cccc(Br)c1F)c1coc2ccc(Cl)cc12 587279185 XYGLRUQCGZOAEW-UHFFFAOYSA-N 353.574 5.219 0 1 FKAF COc1cccc(-c2cc(-c3cccc(C)c3)nc3c2oc2ccccc23)c1 587365633 MXYVHPCMLUCLCF-UHFFFAOYSA-N 365.432 6.632 0 1 FKAF Cc1ccc(C(F)(F)F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509948 UMLYHFLHJPUDOI-LJQANCHMSA-N 360.375 5.599 0 1 FKAF O=C1C[C@@](c2cccs2)(C2CCCC2)Oc2c1ccc1c2CCCC1 587531959 NVUKRCGZCMVFKQ-QFIPXVFZSA-N 352.499 5.678 0 1 FKAF O=C1CC(c2cccs2)(c2cccs2)Oc2c1ccc1c2CCCC1 587533002 SVTJZXKOABVFHT-UHFFFAOYSA-N 366.507 5.597 0 1 FKAF Fc1ccc(SCc2c(-c3ccc(F)cc3)[nH]c3cc(F)ccc23)cc1 587634681 OZQVQUCXCQBWQY-UHFFFAOYSA-N 369.411 6.545 0 1 FKAF CCN(c1ccccc1C)c1c(Cc2ccccc2)[nH]c2cccc(F)c12 587635760 REKJRWYEUIONOZ-UHFFFAOYSA-N 358.460 6.364 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2cccs2)N1 587853722 QZXYRCNJUHRQIF-ZLJOVENESA-N 366.299 5.113 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C)c(F)c1 587861068 LPABZIVHSUOLAB-UHFFFAOYSA-N 350.315 5.014 0 1 FKAF CCCC/C=C/c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587965339 KGKKBNKCHRAYCL-BQYQJAHWSA-N 365.315 5.954 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(C3CCCCC3)cc2)N1 962962402 VIPUDLZFVDXYAL-QFQXNSOFSA-N 372.556 6.403 0 1 FKAF CCCCN1C(=O)c2cccc3c(-c4nc5ccccc5o4)ccc(c23)C1=O 1772608556 HMSAODYKVNSYIL-UHFFFAOYSA-N 370.408 5.044 0 1 FKAF CC1=CC[C@]2(C)CC[C@]3(C)CCC(C)(C)[C@H](O)[C@@H]3[C@H]2CCC(C)=CCC1 2356378050 ULDBXMRKZUJJOC-SXNDVHNNSA-N 358.610 7.063 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@@H]3CCC4=C(C=CN(CC(=O)O)C4)[C@@]3(C)CC[C@H]12 2356867281 WPVQCRNUKYZBFW-DAVBRLECSA-N 357.538 5.240 0 1 FKAF CCCCc1c(-c2ccccc2OC)ncn1Cc1ccccc1Cl 198627352 ZKFGLNMOSAMFTL-UHFFFAOYSA-N 354.881 5.603 0 3 FKAF O[C@@H](C1CCCCCCCCCC1)[C@H](O)C1CCCCCCCCCC1 18024861 XELVUFDGJNSXOP-PSWAGMNNSA-N 366.630 6.770 0 1 FKAF Cc1cc2c(cc1N(C)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 34470559 SWCQTVCQUBENGO-UHFFFAOYSA-N 351.490 5.810 0 1 FKAF CC(=O)CCCc1c(-c2ccncc2)oc2ccc3c(c12)CCC(C)(C)O3 43011610 XHSOYGXESLYAMA-UHFFFAOYSA-N 363.457 5.510 0 1 FKAF Clc1cc(Cl)c(Cl)c(O[C@@H](c2cccnc2)C2CCNCC2)c1 43077353 JPUDXOCAZQSFHB-QGZVFWFLSA-N 371.695 5.162 0 1 FKAF CCCCO[C@@H](Cc1ccc(Cl)nc1)c1ccc(Cl)cc1Cl 72101340 HPSFUECREMYCFF-INIZCTEOSA-N 358.696 6.142 0 1 FKAF CCCCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccco1 104005120 DWGQXBQCSHXYKK-JOCHJYFZSA-N 364.445 5.626 0 1 FKAF c1ccc2c(CNc3nc(N4CCCCC4)nc4ccccc34)cccc2c1 140538062 XZOUWKIVHSWQGW-UHFFFAOYSA-N 368.484 5.385 0 1 FKAF Cc1cc(C)c2nc(-c3noc(C)c3COc3ccccc3Cl)[nH]c2c1 587062884 CBQMNBACBBIPBM-UHFFFAOYSA-N 367.836 5.376 0 1 FKAF Cc1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1C 587070819 HTGVFKQXRPUNAR-UHFFFAOYSA-N 368.267 6.216 0 1 FKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(O)cc4[nH]3)cc2F)c1 587143223 MMGUGWPPHQCMEO-UHFFFAOYSA-N 368.795 5.404 0 1 FKAF CCc1ccc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587206445 KYVVKNVKWUUOCU-UHFFFAOYSA-N 351.405 5.381 0 1 FKAF COc1cccc(-c2c(C3CCN(C)CC3)cnc3c2oc2ccccc23)c1 587364259 RYXUTXXSSWQDML-UHFFFAOYSA-N 372.468 5.466 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(C)c(C)cc1C)O2 587405945 OLDHRBQDYMEYND-VWLOTQADSA-N 371.480 5.411 0 1 FKAF CCCc1cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)ccc1OCC 587481808 SHLUTXRTQFYKRG-QFIPXVFZSA-N 368.473 5.402 0 1 FKAF CC(C)C[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604531 UTZKANKRCOKUHK-YBVWCTEOSA-N 366.457 5.329 0 1 FKAF CC(C)[C@]1(C)CC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587819166 GYNGHYMVXWJTBT-NXOUGTEYSA-N 354.307 5.164 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2c2ccccc2)N1 587824850 ZFWQBCIWADHDQW-JOTOCRJQSA-N 374.297 5.285 0 1 FKAF CC[C@]1(c2ccc(C)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 587846190 HBDRDIBQEJCMKQ-QGHHPUGFSA-N 368.315 5.146 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Cl)cn1 587855157 KIBZFRBLXGBXCW-UHFFFAOYSA-N 368.651 5.293 0 1 FKAF c1ccc2c(-c3cc(CNC45CC6CC(CC(C6)C4)C5)no3)cccc2c1 1772579155 CCCLLSWIHPQCCQ-UHFFFAOYSA-N 358.485 5.553 0 1 FKAF COc1ccccc1-c1ccc2c(C)nc3oc(-c4ccccc4)nc3c2n1 1857560267 BEEWXSPCIMUVLG-UHFFFAOYSA-N 367.408 5.422 0 1 FKAF FC(F)(F)Oc1ccc(Oc2ccc(CN3CCCCC3)cc2)cc1 1857655546 YVSONPHOLBEUAY-UHFFFAOYSA-N 351.368 5.363 0 1 FKAF O=C(Oc1ccccc1)N1CCC(CCCn2ccc3ccccc32)CC1 1857749451 FVHSUCMPAUNFAQ-UHFFFAOYSA-N 362.473 5.333 0 1 FKAF CCO[C@]1(C)C[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)COC(C)=O)[C@@H]2C=C[C@H]1C3 2356485667 OWUYFGXZDKBJRR-MBJDOQEGSA-N 374.565 5.534 0 1 FKAF COc1cc(C(=O)O[C@H]2CC=C(C)CCCC(C)(C)CC=C2C)ccc1O 2356573896 DXFUHPQQBUICFH-FQEVSTJZSA-N 372.505 5.809 0 1 FKAF Cc1ccc(-c2ccc(F)cc2OCc2ccc(CCC(=O)O)cc2)cc1 2382257879 SAZGEAQJANHKPT-UHFFFAOYSA-N 364.416 5.397 0 1 FKAF CC(C)CCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)O 14489867 NNLYJQNQENRGBO-JOCHJYFZSA-N 370.618 7.110 0 1 FKAF biogenic CC(C)c1cccc(CN2CCC(CCCC(=O)c3ncco3)CC2)c1 29126379 NFPIJCNXUVBLSI-UHFFFAOYSA-N 354.494 5.063 0 1 FKAF CN(C(=S)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCC1 29346812 AWLSTJIFCIWJST-RTBURBONSA-N 372.603 5.110 0 1 FKAF CCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1ccccc1 36294588 PTIAQHRJOQEMCO-UHFFFAOYSA-N 353.465 6.339 0 1 FKAF in-vivo Fc1cc(-c2nnc(COc3ccc(Cl)cc3)o2)c(Cl)cc1Cl 38987807 FRYPWUYDPUBMRU-UHFFFAOYSA-N 373.598 5.415 0 1 FKAF CCC/C=C(\C)CSC[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 40526245 OISADBQASBHBLJ-IHZWGNTOSA-N 366.567 5.461 0 1 FKAF C[C@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1 43010992 HZNTWQAMIOKCMC-VGSWGCGISA-N 369.530 5.166 0 1 FKAF COc1ccc2c(NCCc3ccccc3)cc(-c3ccccc3)nc2c1 45168581 NQTSFNIRFGNOCM-UHFFFAOYSA-N 354.453 5.565 0 1 FKAF Cc1ccc(N[C@H](C(=O)CCc2ccncc2)c2ccccc2C)c(F)c1 52594993 YGOJLLDUOTYDMI-QHCPKHFHSA-N 362.448 5.193 0 1 FKAF CCc1ccc(CN[C@H]2CCCC[C@H]2NCc2ccc(CC)cc2)cc1 66073805 NDWMCVVDVTVOAE-PSWAGMNNSA-N 350.550 5.002 0 1 FKAF COc1cccc(N(CCCCCC2CCCCC2)c2ccc[n+](C)c2)c1 66156671 CHTFVVYDVMCKAA-UHFFFAOYSA-N 367.557 5.799 0 1 FKAF CN(CC1CCCCC1)[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 72103382 UCTIAVHYLKOPAF-IBGZPJMESA-N 363.427 5.097 0 1 FKAF C[C@@]12C=C(/C=C\CCc3ccco3)[C@@](C)(C1)[C@H](CCc1ccco1)CC2=O 73072949 HSYVZZKTEPXIFY-XYTUYBIGSA-N 364.485 5.926 0 1 FKAF Cc1ccc(/C=C/C2=C[C@]3(C)C[C@]2(C)[C@H](c2ccc(C)cc2)CC3=O)cc1 102428476 VNDABGLWEBDVEO-IXFITZPWSA-N 356.509 6.416 0 1 FKAF CSc1ccc(CN2CCC[C@H](Nc3cccc4cnccc34)C2)cc1 114335518 DMQNUCUGOVADJT-IBGZPJMESA-N 363.530 5.033 0 1 FKAF CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc2ccccc12 115765010 UCKWJWXEQSMEBE-UHFFFAOYSA-N 363.848 5.544 0 1 FKAF C1=C(c2ccccc2Cc2ccccc2)CCN(CCc2ccccc2)C1 166283259 SNGHXZAISZIRSZ-UHFFFAOYSA-N 353.509 5.609 0 1 FKAF COc1cccc(N[C@H](C(=O)c2c[nH]c3ccc(F)cc23)c2ccccc2)c1 218316891 OPLOFBVAOKHSFC-QFIPXVFZSA-N 374.415 5.352 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(OC)nccc4[nH]3)cc2)CC1 586879636 HDWSRVLYVLSVJG-QAQDUYKDSA-N 363.505 6.098 0 1 FKAF Clc1c(Br)cnc2nc(-c3ccc(C4CCC4)cc3)[nH]c12 586880011 KEWAFVBQMXMROM-UHFFFAOYSA-N 362.658 5.308 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cncc(Cl)c2[nH]1 587014809 RCDSBGIXOAFMSG-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF Cc1cc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2cc1F 587063202 HWSAZBVCFCHNCD-UHFFFAOYSA-N 371.799 5.206 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(F)c(F)cc2[nH]1 587073352 CNSAQRISSGOUHJ-UHFFFAOYSA-N 354.787 6.137 0 1 FKAF Cc1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cc1F 587158196 GZOZBPGPMOEEBM-UHFFFAOYSA-N 360.367 5.155 0 1 FKAF COc1cc2nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c2cc1Cl 587236713 GKQHQENSEGLWKV-UHFFFAOYSA-N 355.869 5.415 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(C)(C)C)(c1ccc(Cl)cc1)O2 587379073 RXHYRYOTEXBZEF-OAQYLSRUSA-N 357.881 5.528 0 1 FKAF CCC[C@@]1(c2c(C)c3ccccc3n2C)CC(=O)c2cc(C)cc(N)c2O1 587391191 QBPFUWMKIZWPBH-QHCPKHFHSA-N 362.473 5.038 0 1 FKAF Cc1oc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615795 HNOBDYGUCGFFNO-NZQKXSOJSA-N 372.376 5.150 0 1 FKAF Cc1c([C@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2c(C)cc(Cl)cc12 587627119 OHHPMELUDDVTDM-MRXNPFEDSA-N 362.901 5.900 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)Nc1ccc(Cl)cc1Cl 587627839 BJIOVPFDJNIIKZ-UHFFFAOYSA-N 371.626 5.828 0 1 FKAF COc1cccc(OCc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)c1 587781110 PPNDGRWRESFPOU-UHFFFAOYSA-N 366.367 5.096 0 1 FKAF C[C@H](C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)CC(C)(C)C 587818548 IMSDJIYLPAKCPB-PSTGCABASA-N 356.323 5.626 0 1 FKAF CC1=C(C)C[C@](C)([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587821775 XOTCENPHHOUBBU-MJXNMMHHSA-N 366.318 5.690 0 1 FKAF FC(F)(F)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587949459 HGJAYIDUXNDWTF-UHFFFAOYSA-N 368.358 5.965 0 1 FKAF COc1ccc2c(c1)[C@@]1(CCC[C@H](c3ncccc3C)C1)N(C(C)C)CC2 962090763 MUHDPXRYEGZQQO-RDPSFJRHSA-N 364.533 5.218 0 1 FKAF c1ccc(-c2cccc3c2[C@H](c2cc(-c4cccs4)cs2)NCC3)cc1 962666597 KTLDHSSKSWVCSL-QHCPKHFHSA-N 373.546 6.379 0 1 FKAF CC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356381731 XFQZMLHHLMNCGB-NUDIJZITSA-N 362.554 5.102 0 1 FKAF CC1=CCC(C)(C)C=CCC(COC(=O)C=Cc2ccc(C)cc2)=CCC1 2356515083 ZWLXFBYSDMETNJ-UHFFFAOYSA-N 364.529 6.581 0 1 FKAF c1ccc(C[C@H]2CN=C(Nc3ccccc3)N2CC2CCCCCC2)cc1 61959464 UMXXFLCPGWNWRY-QHCPKHFHSA-N 361.533 5.352 0 3 FKAF CCCC[C@H]1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 1546562 HKKAPCOJXICOAX-HXUWFJFHSA-N 351.465 6.724 0 1 FKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C3CCCCC3)cc1OC2(C)C 13553595 SPHIFQKOTUSPPQ-WOJBJXKFSA-N 368.561 6.861 0 1 FKAF C[C@]12CCCC[C@@]1(c1cccc(O)c1)CCN(CCCc1ccccc1)C2 13677950 YVASRVQRZZSUCP-RPBOFIJWSA-N 363.545 5.549 0 1 FKAF O=C(CCCN1[C@H]2CC[C@@H]1CC(c1ccccc1)C2)c1ccc(F)cc1 13766725 LECUUDCCVOYUHG-XDNSSPFJSA-N 351.465 5.199 0 1 FKAF O=C(O)c1csc(Cc2cc(Cl)ccc2OCc2ccccc2)c1 29128621 QRNSLYKJQIPBQH-UHFFFAOYSA-N 358.846 5.270 0 1 FKAF COc1ccc(COc2c3ccccc3cc3sccc23)cc1OC 35080130 OLAKUVJZOFMFSH-UHFFFAOYSA-N 350.439 5.651 0 1 FKAF Cc1ccc(C)c(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1 35858918 PALCXSSPRKLOQR-UHFFFAOYSA-N 368.484 5.978 0 1 FKAF CC(C)=CCN1CC[C@]2(CC=C(C)C)c3ccccc3N(CC=C(C)C)[C@H]12 58528551 QXNSFPSGHIXUGR-LOSJGSFVSA-N 364.577 6.065 0 1 FKAF CCc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C 66112208 HREKDLNKESWDHN-UHFFFAOYSA-N 371.843 5.463 0 1 FKAF CCCCN(Cc1ccccc1)Cc1coc(-c2ccc(OC)cc2)n1 72100912 ULDVJUARFJQXQG-UHFFFAOYSA-N 350.462 5.153 0 1 FKAF CC1(C)[C@H]2CC[C@@H](CNCc3coc(-c4sccc4Cl)n3)[C@@H]1C2 72102058 OZYGUVVLCHHXCA-OBJOEFQTSA-N 350.915 5.218 0 1 FKAF Cc1ccc(C(C)C)c(NC(=O)CCCCCCCc2ccccc2)c1 84741989 ZIJWWPDYSCPZJK-UHFFFAOYSA-N 351.534 6.640 0 1 FKAF CCCCCOc1ccc(OC)cc1NC(=O)N[C@@H](C)c1ccccc1 95563854 MMLFGENPHHILBU-INIZCTEOSA-N 356.466 5.147 0 1 FKAF COc1cc2ncnc(Nc3cccc(-c4ccccc4)c3)c2cc1OC 95589959 QSNRYLKZJBIXOJ-UHFFFAOYSA-N 357.413 5.058 0 1 FKAF CC1=C(CCc2nnn[nH]2)c2ccccc2/C1=C\c1ccc(C(C)C)cc1 98209060 QSWFMFNUTKAURC-HMAPJEAMSA-N 356.473 5.284 0 1 FKAF in-vitro Cc1csc(SCc2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)n1 587019999 BHIDKUGMVRAPTO-UHFFFAOYSA-N 371.918 5.941 0 1 FKAF Cc1cnc(Cl)c2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc12 587124059 IABOUVQXRRSNPM-QPJJXVBHSA-N 369.799 5.702 0 1 FKAF Fc1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587152802 RCXNZPKAVYIGDW-NXEZZACHSA-N 367.168 5.014 0 1 FKAF CC(C)(C)c1cc(-c2cc3c4c(cccc4n2)CC3)c2c(c1)C(C)(C)CC2 587212455 AHIBZOVDGQFLGU-UHFFFAOYSA-N 355.525 6.522 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3ccccc3)o1)O2 587409102 GPXUJUHVACZQDD-GOSISDBHSA-N 351.427 5.028 0 1 FKAF CCOc1ccc(CC)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522327 HEFPAKZRJOAHJL-QFIPXVFZSA-N 350.458 5.233 0 1 FKAF Cc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)CC(=O)c2ccc3c(c2O1)CCCC3 587525697 PBNJZWRVNPKOMX-RUZDIDTESA-N 371.480 5.248 0 1 FKAF CC[C@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 587526680 WTIHPCSGMYXAQC-UIPSMAFQSA-N 364.529 5.896 0 1 FKAF CCc1c(-c2ccc(Br)c(C)c2)[nH]c2ccc([C@@H](C)CC)cc12 587638949 KNGKFGYROWWERR-ZDUSSCGKSA-N 370.334 6.982 0 1 FKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(Cl)c(F)cc2[nH]1 587782192 HZYZYWWBNZTAKO-UHFFFAOYSA-N 368.795 5.307 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C=C2CCCCC2)N1 587816253 VWINIXYMUOYVMR-SGTLLEGYSA-N 352.291 5.228 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C)CC2CCCCC2)N1 587821440 VAUBSBBGRJENDO-VPZZIHKRSA-N 368.334 5.770 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cccc2ccccc12 587870762 QUDOOVKMOKQGEN-UHFFFAOYSA-N 374.415 5.124 0 1 FKAF Cc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2)c(Cl)c1 653733807 ZJXFJHDVMUUPDS-UHFFFAOYSA-N 352.821 5.014 0 1 FKAF Cc1c(F)ccc2c1[C@@](CCc1cc(F)cc(Cl)c1)(C1CC1)NCC2 962087024 COMBYPYHLFWEAH-OAQYLSRUSA-N 361.863 5.310 0 1 FKAF COc1ccc2c(c1)[C@@H](c1c(C)[nH]c3c(Cl)cccc13)N(C(C)C)CC2 962089375 ICOSJTUMWRNMNG-QFIPXVFZSA-N 368.908 5.494 0 1 FKAF Cc1cc2c(cc1F)[C@@](c1ccc(Br)s1)(C(C)C)NCC2 962147779 QJDTYEONVSHULI-QGZVFWFLSA-N 368.315 5.003 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCc3[nH]c4ccc(F)cc4c32)N1 962954053 XERDKOLEEIOWJT-OWJWWREXSA-N 373.475 5.293 0 1 FKAF O=C(O)CCCOc1ccc(-c2cc(OC(F)(F)F)ccc2Cl)cc1 1772642272 FGXVJHYCASUBMZ-UHFFFAOYSA-N 374.742 5.149 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3F)nc3c2Cc2ccc(O)cc2-3)c1 1857614201 DWARURGSGPHTLV-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CCC[C@H](C)Oc1c(-c2ccc(OC)c(OC)c2)oc2ccccc2c1=O 1857775100 GFZKMCWHCDNALC-AWEZNQCLSA-N 368.429 5.045 0 1 FKAF O=C(CNc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1 2382249423 FOHJALUDXUYGRI-UHFFFAOYSA-N 359.454 5.014 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC[C@@H]1n1cncn1 13586645 DKCNCYZDFCXFMT-NLUQSVONSA-N 367.493 5.045 0 1 FKAF CCCN(CCCc1ccccc1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 13741768 YXESVSAQXNVTIV-JOCHJYFZSA-N 374.528 5.183 0 1 FKAF COc1cccc2c(Nc3ccccc3C)nc(Nc3ccccc3C)nc12 13742285 NRNFZLGTTZCKCI-UHFFFAOYSA-N 370.456 5.742 0 1 FKAF COc1ccc2c(C(=O)Nc3ccccc3)cc(-c3ccccc3)nc2c1 13762333 HPFJPWCIWYYUNO-UHFFFAOYSA-N 354.409 5.163 0 1 FKAF Cc1ccsc1-c1cc(-c2ccco2)cc(-c2ccccc2Cl)n1 45367860 WOEIBXBXLISJFQ-UHFFFAOYSA-N 351.858 6.699 0 1 FKAF Cc1ccc(CC2c3c(Cl)cccc3C(=O)c3cccc(Cl)c32)cc1 64436881 BKSUNRVXZKESKP-UHFFFAOYSA-N 367.275 6.221 0 1 FKAF Fc1cccc(Cl)c1-c1nc(-c2ccc(Cc3ccccc3)cc2)c[nH]1 64550078 QYJAWUPQJQNQMO-UHFFFAOYSA-N 362.835 6.127 0 1 FKAF Clc1ccccc1Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12 72180152 CZUQONJYTHGFCD-UHFFFAOYSA-N 374.054 5.902 0 1 FKAF Fc1ccccc1Oc1cncc(NC2CCCCCCCCCCC2)n1 82068800 LSPRXWFWWSXENC-UHFFFAOYSA-N 371.500 6.493 0 1 FKAF Fc1cc(F)cc(CNc2cc(-c3cccc(-c4ccccc4)c3)ncn2)c1 82161055 BNXDBFNLPNSYRI-UHFFFAOYSA-N 373.406 5.701 0 1 FKAF O=C1CC[C@@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N1CC1CC1 95577052 DPTQNKRWFNZOCQ-FPOVZHCZSA-N 374.311 5.851 0 1 FKAF O=C(Nc1ccccc1)Oc1ccc([C@H]2CC(=O)c3ccccc3O2)cc1 98082364 QIZOOAIDPINZAA-OAQYLSRUSA-N 359.381 5.004 0 1 FKAF CC1=C2CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O 141070654 LWWBEZGYTBIWMC-YVSOFDAESA-N 363.545 5.789 0 1 FKAF Clc1cccc(NCc2cccc(CNc3cccc(Cl)c3)n2)c1 147323905 XETZZKULGUSCOM-UHFFFAOYSA-N 358.272 5.613 0 1 FKAF Cc1ccc2c(c1)N[C@@H](c1ccccc1F)[C@H]1C(=O)CC(C)(C)CC1=N2 169722123 ZSBMMHHNMNYYCN-RTWAWAEBSA-N 350.437 5.379 0 1 FKAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccc(C)cc2)c1 218322454 OYRBPRHHJZDZPM-HSZRJFAPSA-N 370.452 5.521 0 1 FKAF COC(=O)c1ccc(O)c(C[C@]2(C)[C@@H](C)CC[C@H]3C(C)=CCC[C@@]32C)c1 238769901 KDAMGOAZTHXKIC-GJYWDZNJSA-N 356.506 5.520 0 1 FKAF CCNC(=O)NCCCCCCCCCCCCCCCCCC(=O)O 299834648 UZPKKUKPHAPZGQ-UHFFFAOYSA-N 370.578 5.632 0 1 FKAF Clc1ccc(CC/C(=C/c2nc3ncc[nH]c-3n2)c2ccccc2)cc1 587074580 ZPNQGMAWTQZBNU-VKAVYKQESA-N 360.848 5.131 0 1 FKAF Cc1ccc2c3c(cc(-c4n[nH]c5ccccc45)nc13)-c1ccccc1C2=O 587095908 CZYRXXSPRSTSDR-UHFFFAOYSA-N 361.404 5.298 0 1 FKAF CC(C)=CCC[C@@H](C)c1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587099414 HSQOOKCNQSBPGT-MRXNPFEDSA-N 355.481 6.605 0 1 FKAF CN(C)c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587104313 QAOOGSVCXURBQR-UHFFFAOYSA-N 350.421 5.179 0 1 FKAF COc1c(C)cccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106208 HAKQGLOLFASMPJ-UHFFFAOYSA-N 351.405 5.430 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 587163844 LXMXKNDAUMMDJA-UHFFFAOYSA-N 363.244 6.404 0 1 FKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(Cl)nc2[nH]1 587247519 NLCKRYDTDUZDBY-UHFFFAOYSA-N 364.836 5.026 0 1 FKAF O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1coc2ccccc12 587281140 XXBQLFWWSBMHSB-UHFFFAOYSA-N 358.237 5.701 0 1 FKAF C[C@@]1(CC2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356473 QNGFZIKEPILMKT-UNMCSNQZSA-N 354.421 5.229 0 1 FKAF C[C@@]1(CCSc2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504191 GNESSHCEMFHBOO-JOCHJYFZSA-N 370.489 5.611 0 1 FKAF CC[C@@]1(c2ccc(OC(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523677 OFSHUMFJMJGKKY-DEOSSOPVSA-N 364.485 5.623 0 1 FKAF Cc1ccc(SC(C)(C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531782 JRDTVAXARYQYQB-OAQYLSRUSA-N 366.526 5.779 0 1 FKAF O=C1C[C@H](c2ccccc2C2CCOCC2)Oc2c1ccc1c2CCCC1 587535629 MJMFJEJLKJPLSV-HSZRJFAPSA-N 362.469 5.166 0 1 FKAF C[C@]1(Cc2nc3ccccc3s2)CC(=O)c2ccc3c(c2O1)CCCC3 587535674 NOZCMVOYASSLHS-JOCHJYFZSA-N 363.482 5.142 0 1 FKAF CC[C@@]1(CCCC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598587 BRBJVWBVOLESJY-UGKGYDQZSA-N 354.446 5.329 0 1 FKAF Cc1cccc2c1[C@H](C)C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604973 WLAHCLCVVRGBCJ-YFMCZXFPSA-N 372.420 5.065 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC2CC2)(c2ccccc2)N1 587816205 VEYHJTRGSIMRCK-XCLFUZPHSA-N 374.297 5.166 0 1 FKAF CC(C)c1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587820102 OVTQRTAYUMQICB-BUXKBTBVSA-N 362.286 5.335 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccccc1F 587853996 CULAFGOSEHOYML-UHFFFAOYSA-N 351.208 5.384 0 1 FKAF COc1cc(OC)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 587949426 GIBQVKSQTKWTMJ-OUKQBFOZSA-N 372.424 5.543 0 1 FKAF FC(F)(F)c1cccc(Oc2nc(-c3ccccc3)nc3ccccc23)c1 1857604387 UURLHJCMTOHEFA-UHFFFAOYSA-N 366.342 6.108 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2[C@H]3O)c1 1857629825 MTPITHWVIYYQME-XMMPIXPASA-N 351.405 5.183 0 1 FKAF Fc1ccc(-c2nnc(-c3ccc(-c4nc5ccccc5s4)cc3)o2)cc1 1911570878 SDJKXIIUSHOEGR-UHFFFAOYSA-N 373.412 5.819 0 1 FKAF CC(C)c1ccc(NC(=O)OC2CCN(Cc3ccccc3)CC2)cc1 2382247547 RUFCJFOENLCATM-UHFFFAOYSA-N 352.478 5.023 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)nc2ccccc12 6829858 JNJOVFCNMUJKJQ-UHFFFAOYSA-N 365.742 5.551 0 1 FKAF COc1ccc2cc(CC(=N)N3CCC(c4ccccc4)CC3)ccc2c1 29467945 WMAUTXIZCGJGQY-UHFFFAOYSA-N 358.485 5.248 0 1 FKAF CCCCCS[C@@H]([C@@H](OCC)c1ccc(Cl)cc1)n1ccnc1 45372866 VQBLRBCMOWIRGB-ROUUACIJSA-N 352.931 5.736 0 1 FKAF Cn1ccc2c(N(c3ccccc3)C3CCCCC3)cc3c(c21)[C@H]1CC[C@@H]3O1 72136887 ZDRFIANKQIHINK-XZOQPEGZSA-N 372.512 6.555 0 1 FKAF CCCOc1cccc([C@H](C)NC(=O)c2ccc(-c3ccncc3)cc2)c1 73352291 VAMDLIMJLAPZGX-KRWDZBQOSA-N 360.457 5.028 0 1 FKAF O=C1C[C@@H](c2cccs2)Sc2ccccc2N1C(=O)c1ccccc1 95591511 AALWXVPCUDHQST-SFHVURJKSA-N 365.479 5.159 0 1 FKAF Cn1c(O)c(-c2[nH]c3ccccc3c2N=O)c2cccc(Br)c21 96900287 RQGLDKGZSNDMAT-UHFFFAOYSA-N 370.206 5.193 0 1 FKAF Cc1ccc2nc3c(cc2c1)C=NN=C(Nc1ccccc1Cl)S3 98082722 ZJJSAWDHFNEYNY-UHFFFAOYSA-N 352.850 5.104 0 1 FKAF O=c1c2c(oc(O)c1[C@@H](c1ccccc1)C1CC1)CCCCCCCC2 100808305 AMQQAQXRRHSJHR-FQEVSTJZSA-N 352.474 5.327 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CCC4=C[C@](C)(O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 141062609 PZBDXNOZZSGXRZ-ZEJZDXSBSA-N 363.545 5.789 0 1 FKAF C[C@@]12C=C(/C=C/C=C/c3ccco3)[C@](C)(C1)[C@@H](/C=C/c1ccco1)CC2=O 169298021 UQMOFGNDJAVHLT-OZHQHMIJSA-N 360.453 6.087 0 1 FKAF COc1cc2cc(OC)c1OCCCCCCOc1ccc(cc1)/C=C/2 169363801 STSSIWRFUUGZRO-BQYQJAHWSA-N 354.446 5.206 0 1 FKAF CC1(C)CC(=O)[C@@H]2C(=NC(c3ccccc3)=C[C@@H]2c2ccc(Cl)cc2)C1 169723758 FCDCXWUZDFYLGR-GCJKJVERSA-N 363.888 5.925 0 1 FKAF CCCCCCc1c2c(c(C)c3c1Oc1ccccc1O3)C(=O)SC2 216908770 GAFSSDYBQJKTEJ-UHFFFAOYSA-N 354.471 6.403 0 1 FKAF Cc1c(-c2cc(F)ccc2F)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586996297 RBSRHLUDJMSHEY-UHFFFAOYSA-N 371.386 6.008 0 1 FKAF Fc1cnc(Cl)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc12 587062600 HIUASYSUXDQULY-UHFFFAOYSA-N 372.230 5.662 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc4c3NCCC4)nc3cccc1c23 587108187 WVXBSTURIRYTHO-UHFFFAOYSA-N 362.432 5.471 0 1 FKAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc3ccccc3cc2[nH]1)C1CCCC1 587224855 HVXMXGCZAWHLGG-LJQANCHMSA-N 365.477 5.472 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2cncc(Cl)c2[nH]1 587240557 FSQVJZCLBYEKLB-UHFFFAOYSA-N 350.809 5.031 0 1 FKAF COc1cccc(-c2c(C)c(-c3ccn(C)n3)nc3c2oc2ccccc23)c1 587363467 OGMSCPNIXWIVLM-UHFFFAOYSA-N 369.424 5.366 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(Cl)cc3)s1)O2 587410102 KWYMLIWGVOOWIF-QGZVFWFLSA-N 369.873 5.666 0 1 FKAF Cc1cc(C)n(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)n1 587515939 PLMCQFFCJPOLQH-HSZRJFAPSA-N 372.468 5.074 0 1 FKAF O=C1C[C@H](c2ccc([C@@H]3CCCCO3)o2)Oc2c1ccc1c2CCCC1 587534622 WVMNSDICRZNYBX-GHTZIAJQSA-N 352.430 5.107 0 1 FKAF Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587603862 RXJNBDUOYMEPDG-NFBKMPQASA-N 360.409 5.020 0 1 FKAF CCC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608996 AWNZHJDYYHVZJY-RXVVDRJESA-N 366.438 5.111 0 1 FKAF O=C(c1ccc(Cl)cc1)c1c(C(F)F)[nH]c2ccc(F)c(Cl)c12 587629696 XRIGHKSZGWWVCY-UHFFFAOYSA-N 358.146 5.782 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3Cl)c2c1 587640673 ICSZPCRAZMWPNS-INIZCTEOSA-N 359.900 7.669 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(Cl)c3)c(C(=O)C(=O)OC)c2c1 587643027 YHYLUTYWJMDXTP-LBPRGKRZSA-N 369.848 5.358 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCCC(F)(F)F)N1 587709143 ISBYZPLIZMDQCY-OTYXRUKQSA-N 368.212 5.070 0 1 FKAF Cc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1Cl 587950047 OTJBOOJGJVVSIG-VAWYXSNFSA-N 360.844 6.487 0 1 FKAF Cc1cccc(-c2cccc(-c3noc(Cc4c[nH]c5ccccc45)n3)n2)c1 653710206 NIZGDQLLMPUUHP-UHFFFAOYSA-N 366.424 5.179 0 1 FKAF CCCC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 653859637 CDBWBPNYNQEJME-OEMFJLHTSA-N 355.566 5.737 0 1 FKAF Brc1ccc2[nH]cc(-c3nc4ccccc4c4cc[nH]c34)c2c1 1857749408 SUFIBRNXDZLMHU-UHFFFAOYSA-N 362.230 5.627 0 1 FKAF 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]3C=C[C@]12C 2356861216 UGOMTIBMXXAAHQ-YMBIMESLSA-N 372.549 5.059 0 1 FKAF Nc1ccccc1Nc1ccc(C(=O)c2ccccc2Br)cc1 13531288 MSGGRRJXKDUMOF-UHFFFAOYSA-N 367.246 5.006 0 1 FKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@]1(C)[C@@H](O)c1ccccc1 16891832 IUZXDEIEFTZAQM-ZJSPYRCASA-N 362.557 6.554 0 1 FKAF biogenic CCCCCOC(=O)c1cc(OC)c(-c2cc(C)cc(C)c2)c(OC)c1 28706790 CTRBVHCPNSITHF-UHFFFAOYSA-N 356.462 5.335 0 1 FKAF CCC(=O)C(CC/C(=C/CCc1ccc(C(=O)OC)cc1)CC)C(=O)CC 34075047 XFLXZQGRFWSYRN-RQZCQDPDSA-N 372.505 5.097 0 1 FKAF Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)C(C)C)[C@@H]3c1c[nH]c2ccccc12 49803216 ULMFDNAJIHOEAQ-HSZRJFAPSA-N 371.484 5.088 0 1 FKAF Cc1cccc(-c2nc(CNc3ccc(Oc4ccccc4)cc3)co2)c1 72102679 WLLLMRIZQRSMFA-UHFFFAOYSA-N 356.425 6.054 0 1 FKAF OC1=C2Sc3cc(Cl)ccc3N=C2C[C@H](c2ccc(Cl)cc2)C1 100796267 AJKWYZPUXPKHPZ-NSHDSACASA-N 362.281 6.519 0 1 FKAF CCCCC[C@@H](CC)CNc1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 100867610 NCFZGLGFTBPAMI-QGZVFWFLSA-N 350.510 5.903 0 1 FKAF Cc1ccc(/C=C/C2=C[C@@]3(C)C[C@@]2(C)[C@H](c2ccc(C)cc2)CC3=O)cc1 102428483 VNDABGLWEBDVEO-XVVVTTTBSA-N 356.509 6.416 0 1 FKAF Cc1nc([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)co1 118922710 MCSQKDICBVZIBS-MTMZYOSNSA-N 355.522 5.390 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C=CCC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21 136487790 SPEDTVSELPTCNP-HKGZJRCASA-N 370.540 6.616 0 1 FKAF Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccccc2)cc1 169339866 CIJLUVAUSQPNEG-UHFFFAOYSA-N 364.832 5.153 0 1 FKAF CC[C@@]1(C)C[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586888886 JYHPMXJCBYZXHA-UHLUBPPHSA-N 363.177 5.128 0 1 FKAF Cc1cc(C)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 587040779 QJVFKZKFNJOFJA-UHFFFAOYSA-N 371.509 6.025 0 1 FKAF Clc1cccc(/C=C\c2nc3ccnc(Br)c3[nH]2)c1Cl 587053264 ARHNTAGDYHJERE-PLNGDYQASA-N 369.049 5.198 0 1 FKAF Cc1ccc(CCc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587099833 VMAIGPQOTZRBJU-UHFFFAOYSA-N 363.460 5.848 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587113489 LAMACJCFKHRAFD-MRVPVSSYSA-N 374.193 5.630 0 1 FKAF Fc1ccc(S)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587141760 WIIRTBADNSWQBN-UHFFFAOYSA-N 362.735 5.210 0 1 FKAF CC(C)(C)C1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356731 RLMPTOOSUJTRBX-IBGZPJMESA-N 370.464 5.721 0 1 FKAF Cc1cc(Cl)c(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587497654 JRKDEKBGIGRCHG-SFHVURJKSA-N 356.849 5.248 0 1 FKAF O=C1C[C@]2(CCc3cccc(Cl)c3C2)Oc2c1ccc1c2CCCC1 587497711 GBAIBGZHOGPQSW-JOCHJYFZSA-N 352.861 5.112 0 1 FKAF CC[C@@]1(c2cc(Cl)ccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587503499 UZGGCRLUSACYIC-QFIPXVFZSA-N 370.876 5.498 0 1 FKAF C[C@@]1(C23CCC(CC2)CC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603020 MKHOZVVMPPJZTG-OYONTBJBSA-N 364.441 5.083 0 1 FKAF CC(C)[C@H]1CC[C@H](C)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603093 KXIBBLGOUODVPA-FOMKBEIMSA-N 366.457 5.185 0 1 FKAF O=CNc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625206 BSAZQLAMESNYIZ-UHFFFAOYSA-N 372.268 5.441 0 1 FKAF CCc1c(-c2ncccc2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627592 DXVKNAAMRYRULG-UHFFFAOYSA-N 372.312 6.138 0 1 FKAF CC(C)c1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820057 OIUWWWDTQOJKBP-BLVKFPJESA-N 362.286 5.335 0 1 FKAF CC[C@H](C)[C@@H]1CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587820355 ZWIPDMYWUCHFGV-NMFBSDBYSA-N 354.307 5.164 0 1 FKAF Fc1cc(-c2nc(-c3cccc(Cl)c3)cs2)ccc1C(F)(F)F 587920327 HOMAICPFUXKVDG-UHFFFAOYSA-N 357.759 6.288 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cc(C)cc(C)c4[nH]3)c(O)c2)cc1OC 587926470 HQQHYZSXYVKGNY-UHFFFAOYSA-N 374.440 5.237 0 1 FKAF Cc1cc(OCCn2c(O)ccc2OC(C)(C)C)c(C(C)C)cc1Cl 587943351 XOZLKPBEAGRBNM-UHFFFAOYSA-N 365.901 5.535 0 1 FKAF CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(COC(=O)C=Cc3ccccc3)=C[C@H]21 2356374981 LSWGCBZTDVMNJK-QBTGUUFSSA-N 368.517 5.013 0 1 FKAF Cc1c(-c2ccc(O)cc2)cnc(O)c1[C@H]1[C@H](C)[C@](C)(O)C[C@@H](C)C[C@H]1C 2356709948 CVKLZCJJHAKETK-DHDUKAISSA-N 369.505 5.005 0 1 FKAF CC(C)Oc1ccc([C@H](C)c2ccc3c(c2)Nc2ccccc2S3)cc1 2382230418 DLPAWDLQKLNSHQ-INIZCTEOSA-N 361.510 6.834 0 1 FKAF CC(C)C[C@H](N)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 61898395 PGWYCSBUYVMIIM-SFHVURJKSA-N 365.502 5.164 0 3 FKAF CCCN[C@@H](CCC)Cc1ccc(OC)c(OCCc2ccccc2)c1 1544091 ICGIQSVJOURFOI-NRFANRHFSA-N 355.522 5.028 0 1 FKAF CC(C)c1ccc(C2=Nc3cc(F)ccc3NC(c3ccncc3)=N2)cc1 6743695 WEPWHLKAUIJPOG-UHFFFAOYSA-N 358.420 5.295 0 1 FKAF CC(C)=CC[C@H](OC(=O)C=C(C)C)c1coc(-c2cc(O)ccc2O)c1 13432863 MIIXCJKPPPUPOJ-IBGZPJMESA-N 356.418 5.265 0 1 FKAF biogenic COc1ccc(C2=CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1 13728595 KKBZGGCJLOKSKV-UHFFFAOYSA-N 360.501 5.289 0 1 FKAF CN1CCn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccccc21 36350471 YCBFEQBVMXZCRE-UHFFFAOYSA-N 374.484 5.504 0 1 FKAF Cc1ccc(-c2cc(Cl)cc3c2O[C@H](C(F)(F)F)C(C(=O)O)=C3)cc1 66103678 FKRGMKAZITYKGR-INIZCTEOSA-N 368.738 5.107 0 1 FKAF COc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(C)c2cc1OC 95562559 LCBHASAHBKJACJ-UHFFFAOYSA-N 355.437 5.894 0 1 FKAF Cc1ccc2c(c1)CN1c3ccc(C)cc3CN2C1N(C)c1ccccc1 200621987 SQDYIYCHGSKESX-UHFFFAOYSA-N 355.485 5.064 0 1 FKAF CC(C)(C)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2n1 587016286 UIOCNWSOGFFELE-UHFFFAOYSA-N 368.893 5.699 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)n1 587020230 IWCBSZWYZQKBGG-UHFFFAOYSA-N 371.918 5.941 0 1 FKAF COc1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2n1 587047152 CRCZYNYKPVQHKY-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF Fc1c(Cl)cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1F 587050037 OCVGGBSRUQSZGN-RNFRBKRXSA-N 373.617 6.072 0 1 FKAF Cc1ccc(C)c2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc12 587122964 PTBOBHMXTRISDP-UHFFFAOYSA-N 366.408 5.512 0 1 FKAF CCOc1cc(/C=C\c2nc3c(C)ccc(C)c3[nH]2)ccc1OC(F)F 587130463 MSAROXJTSUEBFE-NTMALXAHSA-N 358.388 5.350 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cccc(O)c4[nH]3)c(Cl)c2)cc1F 587146093 ZEDVEVFAFYPWSM-UHFFFAOYSA-N 352.796 5.703 0 1 FKAF Cc1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2n1 587159942 YZECOSGVAGQVKP-GOSISDBHSA-N 367.811 5.227 0 1 FKAF C[C@@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502667 FXRKTIQJHFUKKZ-NRFANRHFSA-N 358.384 5.047 0 1 FKAF Cc1cc(C)c(-n2cccn2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587516255 BOXCAIYPXQGNAS-JOCHJYFZSA-N 372.468 5.074 0 1 FKAF COc1c(C)cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587524933 NPSSOFCRERJACY-QHCPKHFHSA-N 350.458 5.071 0 1 FKAF O=C1C[C@@]2(CCC[C@@H](Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587528261 ZVRCWIZBLRSRBK-DFBJGRDBSA-N 360.497 5.702 0 1 FKAF CCCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600241 AJXSCKYMKIQMRW-OFNKIYASSA-N 360.409 5.048 0 1 FKAF C[C@H](CC1CCCCC1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602991 MBFSRLFSDRHVPB-ZFUCPZCZSA-N 366.457 5.329 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2sccc2c1 587616915 HFOGBOCVFKBDFL-KNQAVFIVSA-N 374.417 5.310 0 1 FKAF Cc1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2ccc(F)c(Cl)c12 587631951 NKDDMMQWVWDQKK-UHFFFAOYSA-N 366.864 5.383 0 1 FKAF COc1ccc(-c2[nH]c3cc(F)ccc3c2-c2ccc(Cl)cc2)cc1 587633415 CVDOTFOOWVWBBH-UHFFFAOYSA-N 351.808 6.303 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3F)c(C(=O)C(F)(F)F)c2c1 587640213 GKJRZUKPJOIXSV-LLVKDONJSA-N 363.354 6.233 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Cl)c2)N1 587696155 CVGLMJPDVKETET-DYZYQPBXSA-N 368.677 5.039 0 1 FKAF Clc1ccnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 587783768 HCUYOUPDHQBWSM-FLIBITNWSA-N 361.832 5.361 0 1 FKAF CC/C=C/CC/C=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820030 NWJCGHLIYLDQQG-TXLPMMHGSA-N 352.291 5.466 0 1 FKAF Cc1ccc(-c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1C 587920021 AARIZHDBGDHQEF-UHFFFAOYSA-N 372.534 5.541 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(Br)cc2[nH]1 587951143 SEIIVBKMYSKKCK-FFSVYQOJSA-N 351.288 5.372 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1CCP(=O)(OCC)OCC 963235074 FOYIFNIBIPOUJB-LPHOPBHVSA-N 353.443 5.041 0 1 FKAF O=C(O)CCc1nc(-c2cc(Cl)cc(Cl)c2)c(-c2ccccc2)o1 1857547614 QVACAVHVLFVJTI-UHFFFAOYSA-N 362.212 5.333 0 1 FKAF O=C(c1ccccc1)N1C[C@H](c2cccc3ccccc23)Oc2ccccc21 1857639795 QAQNIHQLRYWVPN-XMMPIXPASA-N 365.432 5.620 0 1 FKAF CC(=CC=C[C@@H](C)CCC=C(C)C[C@@H](O)C(=O)O)CCCc1ccoc1 2356313133 SVMYQJZZVIQHRV-DYESRHJHSA-N 360.494 5.303 0 1 FKAF CCCCC[C@@H]1O[C@H](CCCCCCCCCCC(=O)OC)[C@H](C)[C@H]1C 2356428401 KIBWZJMHKVHAES-YUMYIRISSA-N 368.602 6.680 0 1 FKAF O=C(O)CCCCCCCCCCC=CC[C@H](O)C=C=CBr 2356477304 RBYYPRIJRZKHRI-TYJDENFWSA-N 373.331 5.343 0 1 FKAF COC(=O)C[C@@H](C)CCC=C(C)CCCc1coc(Cc2ccoc2)c1 2356665418 GOGZLXLTQRESLM-SFHVURJKSA-N 358.478 5.712 0 1 FKAF CC(C)=CC[C@@]1(C)C=Cc2c(c(-c3ccc(C)cc3)c(Cl)[nH]c2=O)O1 2382240559 NGTCXVOTXAKPER-NRFANRHFSA-N 355.865 5.524 0 1 FKAF O[C@@H](c1ccc(-c2ccccc2)cc1)c1nc(-c2ccccc2Cl)c[nH]1 61928651 JICDBMADQLHTRE-NRFANRHFSA-N 360.844 5.479 0 3 FKAF O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1 13586447 GQFWFPVBIHHTGX-UHFFFAOYSA-N 351.409 5.063 0 1 FKAF in-vivo CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cc(F)cc(F)c1 26660310 YOCZJCBJFXUHTO-UHFFFAOYSA-N 356.372 5.248 0 1 FKAF Cc1cc(-c2cc(F)cc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@H]2C 29043404 DSMDXILQYZQPHU-GFCCVEGCSA-N 356.872 6.634 0 1 FKAF CC(C)(C)c1ccc(O[C@H](CCn2ccnc2)c2ccc(Cl)cc2)cc1 40394166 VLYIUHXNZRTVBU-OAQYLSRUSA-N 368.908 6.044 0 1 FKAF c1ccc2sc(-c3ccc(Nc4ncnc5ccsc45)cc3)nc2c1 40409177 ZCGDFAQAYLXLJV-UHFFFAOYSA-N 360.467 5.712 0 1 FKAF CCS(=O)(=O)c1ccc(-c2coc3ccc(-c4ccc(C)o4)cc23)cc1 45302976 BQTJRYNLKIVLQR-UHFFFAOYSA-N 366.438 5.462 0 1 FKAF CC(C)=CCn1c2ccccc2c2c3c(ccc21)CN(c1ccccc1)CO3 49808673 YWMWEFKVIYTVCC-UHFFFAOYSA-N 368.480 6.117 0 1 FKAF CC1(C)[C@H]2CC[C@@H](CNCc3coc(-c4cccc5ccccc45)n3)[C@@H]1C2 72183974 RBEDTSIKRUPOHU-SPEDKVCISA-N 360.501 5.657 0 1 FKAF O=C(O)CCCCCCCCCCC[C@@H]1C[C@H]2[C@H]1[C@H]1[C@H]2[C@@H]2[C@H]3CC[C@H]3[C@@H]12 102184856 ZPDCFDULRXOVLT-OHXUGJDHSA-N 358.566 6.146 0 1 FKAF Cc1ccc2c3c(ccc2n1)N=C1CCCC(O)=C1[C@@H]3c1ccccc1C 104106270 OFDLYOSMSUDKTC-HSZRJFAPSA-N 354.453 6.066 0 1 FKAF CC1(C)[C@H]2CC[C@@H](CNc3cc(Oc4ccccc4Cl)ncn3)[C@H]1C2 299887455 YWMBVCXILUAJCY-SOUVJXGZSA-N 357.885 5.407 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586894843 FITGTVQQMUASAH-UHFFFAOYSA-N 356.469 5.687 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@H]4c1cccc(F)c1)-c1ccccc1C2=O 586994666 BFGJADWXCOHJMB-IBGZPJMESA-N 365.407 5.582 0 1 FKAF CCc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587063211 IJDDWHBLQFJEAQ-UHFFFAOYSA-N 362.860 6.025 0 1 FKAF Cc1ccc2c3c(cc(/C=C/c4cccs4)nc13)-c1ccccc1C2=O 587101962 KGFOIVRZEVVARS-MDZDMXLPSA-N 353.446 5.987 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(F)cc2[nH]1 587114688 XIEYMXVGVZFKLL-SECBINFHSA-N 356.750 5.720 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cc(Br)ncc3[nH]2)c1 587152595 AQDJCYGKYXAKML-UHFFFAOYSA-N 368.209 5.194 0 1 FKAF CCC[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352455 JHJWLVAHNUYZNE-RBQRDFNRSA-N 354.421 5.229 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)=CC(C)(C)C3)c1 587365180 FJDFGNYEERFIFM-UHFFFAOYSA-N 369.464 6.642 0 1 FKAF Cc1ccsc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587379513 YOYINSHSMTWEEK-GHTZIAJQSA-N 368.429 5.176 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)cc1C(F)(F)F)CC2=O 587463303 WHSLVYQVUHDANE-QGZVFWFLSA-N 368.326 5.209 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)ccc(Cl)c1F)CC2=O 587466059 JGVRHQNKABIXCO-LJQANCHMSA-N 366.791 5.157 0 1 FKAF O=C1C[C@H](c2cccnc2-c2ccsc2)Oc2c1ccc1c2CCCC1 587535350 KJDSSPAYIFVWSC-HXUWFJFHSA-N 361.466 5.395 0 1 FKAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)sc2ccccc12 587536261 TWKYNBPHLPCFMA-HSZRJFAPSA-N 362.494 5.969 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1CCCCCCC1 587602894 JSWRSGAQTNDXEU-SIKLNZKXSA-N 352.430 5.083 0 1 FKAF Fc1ccc(-c2c(CCCCC3OCCO3)[nH]c3cc(F)ccc23)cc1 587634918 VBPSUTARVVJQLP-UHFFFAOYSA-N 357.400 5.199 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(C)c(Cl)cc4[nH]3)c2)cc1O 587787918 ZPWLSVBAUYSSKI-UHFFFAOYSA-N 364.832 5.573 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(C)(C)C)(C2CC2)N1 587815783 QEZODDRFJRMHIL-ADLMAVQZSA-N 354.307 5.164 0 1 FKAF Clc1ccccc1-c1cc(-c2ccccc2)c2oc3ccccc3c2n1 1772652352 KJXGHKKVHUOPKE-UHFFFAOYSA-N 355.824 6.968 0 1 FKAF Cc1ccc2c([C@H](CC3CC3)CC(F)(F)F)c(-c3ccccc3)[nH]c2c1 1857599947 JNUWNUTZXLEZED-QGZVFWFLSA-N 357.419 6.979 0 1 FKAF Oc1nc2c(Cl)ccc(Cl)c2c2c1Sc1cc(Cl)ccc1N2 1857759883 CFGNMAXCWKFGTN-UHFFFAOYSA-N 369.660 6.109 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356495019 BKWBRNDZAJHCMT-NROBUGHJSA-N 370.621 6.775 0 1 FKAF CC(C)Cc1ccc([C@H](C)C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 2382225633 UYYZKLNIASJRFD-HNNXBMFYSA-N 363.423 5.324 0 1 FKAF CCCCN(C=O)c1c(CC)nc2c(OCCC3CCCCC3)cccn12 61905541 RZXBDBMMCTUKHU-UHFFFAOYSA-N 371.525 5.009 0 3 FKAF Fc1ccc(-c2[nH]cc(C3=C[C@@H]4CCCN4CC3)c2-c2ccncc2)cc1 590353 KVBWUPVGVUIAIX-FQEVSTJZSA-N 359.448 5.134 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCS1 3610642 PZDFHHSXZRIAEF-GJZGRUSLSA-N 360.563 6.731 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)(C)C 13761103 HZJPXXDVTLCBKG-SNPVRQPZSA-N 359.598 7.047 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(C)c1 28759642 BPQDRDSDQFNWOU-UHFFFAOYSA-N 353.550 6.529 0 1 FKAF COc1ccc(Cn2c3c(c4ccccc4c2=O)[C@H](C)c2ccccc2-3)cc1 29129430 HIDMGQGKIDJCNR-MRXNPFEDSA-N 367.448 5.191 0 1 FKAF CC[C@H](/C=C/c1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl 43511368 DRBCUSLIQWBAJB-ABZNLYFFSA-N 359.218 7.219 0 1 FKAF C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CC1 45317645 BNACLTNZCKWBBX-ACIOBRDBSA-N 366.480 5.054 0 1 FKAF CC(C)=CCn1cc(CN2CCOCC2)c2cc(-c3cccc(C)c3)ccc21 64540588 AAVHENSTMKZIIH-UHFFFAOYSA-N 374.528 5.415 0 1 FKAF c1ccc(Oc2cccc(-c3ccc4nnc(-c5cccnc5)n4c3)c2)cc1 82083266 MEWGRGJQSSILHS-UHFFFAOYSA-N 364.408 5.251 0 1 FKAF CC[C@H](C)Cn1c(C(C)C)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188715 CWERRRAGKSRBFJ-IRXDYDNUSA-N 365.525 5.211 0 1 FKAF CC(C)c1ccc(Nc2nc(-c3c(Cl)cccc3Cl)cs2)cc1 103278999 BDZNKBPXONNHFW-UHFFFAOYSA-N 363.313 6.984 0 1 FKAF CO[C@@H]1CCC[C@@H](c2cc(O)c3c(c2)OC(C)(C)C2=C3C[C@@H](C)CC2)C1 169323072 XGSFJDGYMAHCQS-ZMSDIMECSA-N 356.506 5.809 0 1 FKAF CSc1cccc(N=c2[nH]c(-c3ccc4sccc4c3)cs2)c1 473087455 KBZCPLFRJNAHIV-UHFFFAOYSA-N 354.525 5.912 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)CC1 586880512 LTINDLXVGVMGLP-WKILWMFISA-N 368.471 6.972 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4ncc(Br)c(C)c4[nH]3)cc2)o1 586902563 GCRSRUWASYEKFW-UHFFFAOYSA-N 368.234 5.264 0 1 FKAF Cc1nc(-c2c[nH]cc2-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cs1 587020479 AKAJVZJJYOYERR-UHFFFAOYSA-N 366.343 5.148 0 1 FKAF CNc1cc(Cl)ccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587066579 NSKVGJOKQGBOSX-UHFFFAOYSA-N 363.848 5.504 0 1 FKAF Cc1nccc2[nH]c([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587071327 KBXHPTWFEPBUDA-ZPGCQJFOSA-N 372.299 5.939 0 1 FKAF CCc1ccc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)cc1 587099136 BFCZPXZIMKDQIL-UHFFFAOYSA-N 363.460 6.292 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 587153469 RYVQUWVVZMRGNF-UHFFFAOYSA-N 356.322 6.055 0 1 FKAF O=C1C[C@@]2(CCc3c(F)ccc(Cl)c32)Oc2c1ccc1c2CCCC1 587506444 JZHGATWDWBIXPN-OAQYLSRUSA-N 356.824 5.165 0 1 FKAF CC[C@@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600981 DMAAQJBURUVODV-URXFXBBRSA-N 374.436 5.276 0 1 FKAF CC(C)=CC[C@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815757 PUDZARLNERBEMR-ORAYPTAESA-N 366.318 5.474 0 1 FKAF Cc1c([C@H]2NCCc3c(Cl)cc(Cl)cc32)[nH]c2ccc(Cl)cc12 963111506 OKPAUJYAPDHFIM-SFHVURJKSA-N 365.691 5.672 0 1 FKAF CCCN1[C@@H](c2ccc(-c3ccccc3OC)cc2)c2ccccc2C[C@H]1C 963240562 KOXYHEKUOUTAGN-BCHFMIIMSA-N 371.524 6.108 0 1 FKAF CCCCC[C@@]1(c2ccnc(Cl)c2)c2ccccc2C[C@@H](C)N1CCC 963241214 MQACLYRDDCTBGQ-WZONZLPQSA-N 370.968 6.216 0 1 FKAF CCCCCC(=O)c1c(O)cc(O)c(C/C=C(\C)CCC=C(C)C)c1O 1857617023 IYTDHFRXSFXLOD-FOWTUZBSSA-N 360.494 5.802 0 1 FKAF CCCCOc1ccc2c(Nc3cccc(Br)c3)ccnc2c1 1857620147 WNAHBTOVXVZAJV-UHFFFAOYSA-N 371.278 5.920 0 1 FKAF CCC[C@@H](C)Oc1c(-c2ccc(OC)c(OC)c2)oc2ccccc2c1=O 1857775101 GFZKMCWHCDNALC-CQSZACIVSA-N 368.429 5.045 0 1 FKAF CCO[C@]1(C)C[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)COC(C)=O)[C@H]2C=C[C@H]1C3 2356485669 OWUYFGXZDKBJRR-UGOMCUSSSA-N 374.565 5.534 0 1 FKAF C[C@@](O)(c1cccc(F)c1)c1nc(-c2csc3ccccc23)cs1 61905471 DBVOCAZNWPRQLS-LJQANCHMSA-N 355.459 5.420 0 3 FKAF CCCC[C@H](C(=O)N(C)c1ccccc1)[C@@H](O)c1ccc2ccccc2c1 201480719 PDRAVDBWDXSZKM-GOTSBHOMSA-N 361.485 5.343 0 3 FKAF Clc1ccc(Cc2nc3ccccc3nc2-c2cccc(Cl)c2)cc1 1662702 NIUZKKOEEBSSMF-UHFFFAOYSA-N 365.263 6.194 0 1 FKAF Cc1ccc(-c2cnc(NC(=O)c3ccc(Br)cc3)s2)cc1 13704313 JEDKLZGNCRZYND-UHFFFAOYSA-N 373.275 5.133 0 1 FKAF Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)c(C)c1 13781360 MFHBPLPHXUAKAX-UHFFFAOYSA-N 353.425 5.166 0 1 FKAF CCCCOc1ccc([C@@H](CC(=O)O)c2ccc(C(F)(F)F)cc2)cc1 14978889 SPMBUCIBACVSHX-SFHVURJKSA-N 366.379 5.491 0 1 FKAF CCOC1=CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@H](OC(=O)CC)CC[C@H]34)[C@@]2(C)CC1 17328030 NULCEDVSYYAIBD-KXNGWZAWSA-N 372.549 5.801 0 1 FKAF biogenic COCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21 40847710 MTCHOHNOFYFQIN-UHFFFAOYSA-N 353.462 5.235 0 1 FKAF CC(=O)CCCc1c(-c2cccnc2)oc2ccc3c(c12)CCC(C)(C)O3 43013514 YPUHYTZSBQDSIQ-UHFFFAOYSA-N 363.457 5.510 0 1 FKAF Clc1ccc(/C=C/c2nc3cc(Br)ccc3[nH]2)c(Cl)c1 45285618 ZCYHJULJSXNMMZ-QHHAFSJGSA-N 368.061 5.803 0 1 FKAF Fc1ccc(-c2nc3cc(Cl)c(Cl)cc3nc2-c2ccncc2)cc1 45301550 LVQXSFOUILYXEJ-UHFFFAOYSA-N 370.214 5.805 0 1 FKAF CN1CCN([C@H]2C[C@@H](c3ccccc3F)c3ccc(Cl)cc32)CC1(C)C 58504798 BEJFETGIBLFMPS-NQIIRXRSSA-N 372.915 5.082 0 1 FKAF C[C@H](NCc1coc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCCC1 72103149 YBPLZZNMALCPBO-ZDUSSCGKSA-N 352.400 5.419 0 1 FKAF CC[C@H](C)NC(=O)c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1 84688370 ZUIBEJUGHHQBGW-NSHDSACASA-N 374.271 5.132 0 1 FKAF COc1cc(-c2nc(C)sc2-c2ccc(C)cc2)cc(OC)c1OC 95561300 RPVADCQXXXEOOB-UHFFFAOYSA-N 355.459 5.120 0 1 FKAF Clc1ccc(-c2cc(-c3nnc(Nc4ccccc4)s3)no2)cc1 103293955 WNSRHTHEQQNZFN-UHFFFAOYSA-N 354.822 5.257 0 1 FKAF Clc1ccc2sc(-c3ccccc3)c/c(=N\CCN3CCCC3)c2c1 169316305 WAEZMCCFFXSNBX-FCDQGJHFSA-N 368.933 5.218 0 1 FKAF COc1ccccc1[C@@H]1Nc2cc(C)ccc2N=C2CC(C)(C)CC(=O)[C@H]21 169722119 LJYJLZQYZZZOOL-VXKWHMMOSA-N 362.473 5.248 0 1 FKAF CC1(C)CC(=O)[C@@H]2C(=NC(c3ccccc3)=C[C@H]2c2ccc(Cl)cc2)C1 169723760 FCDCXWUZDFYLGR-AVRDEDQJSA-N 363.888 5.925 0 1 FKAF O=C(Nc1cccc(F)c1)Nc1ncccc1OCc1cccc(Cl)c1 206947483 YZVJRZKHKIUJHV-UHFFFAOYSA-N 371.799 5.097 0 1 FKAF O=C(c1ccc(Br)cc1C(F)(F)F)c1coc2ccccc12 404262916 BRLBADOXKMZUPK-UHFFFAOYSA-N 369.136 5.445 0 1 FKAF CC(C)c1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(O)c(C(C)C)c1 586895901 BOXIMMQVVVGDLP-UHFFFAOYSA-N 363.383 5.596 0 1 FKAF CCc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990381 CKOALAXSFVEQJM-UHFFFAOYSA-N 351.405 5.381 0 1 FKAF Clc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587041284 MLVIKWMPEZOSIY-UHFFFAOYSA-N 362.907 5.274 0 1 FKAF Cc1ccc(F)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1F 587104602 ZEVKZOJVFBRATC-UHFFFAOYSA-N 357.359 5.700 0 1 FKAF Cc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1C 587116355 UYNJWDUJUBHENV-UHFFFAOYSA-N 370.172 5.023 0 1 FKAF C[C@@H](c1nc2ccc(F)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130525 TXMWKTJSAUUYGB-YFKPBYRVSA-N 364.705 5.036 0 1 FKAF C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587354474 QRRSEIMGOPMLQO-QQFWFLOESA-N 374.411 5.293 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc(Cl)c1Cl)O2 587374113 GNJZAFPPXPHDGA-AWEZNQCLSA-N 356.636 5.244 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1OC)(C(C)(C)C)CC2=O 587475532 AMKMUTMXMJJCRJ-HSZRJFAPSA-N 368.473 5.260 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C3CCCCC3)s1)CC2=O 587494450 LVUARTNUFAUSSF-IBGZPJMESA-N 370.514 6.160 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1[C@H]1CCCN1C(=O)OC(C)(C)C 587631944 NDXGAOOYIKFDNZ-CYBMUJFWSA-N 352.837 5.341 0 1 FKAF Cc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587818210 GRSKEHHBKFKDFA-YJYMSZOUSA-N 362.286 5.137 0 1 FKAF FC(F)(F)Oc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 587920864 OVKXOHHXUMRWJI-UHFFFAOYSA-N 355.768 6.029 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cccc(Br)c2[nH]1 587951752 ZWEOHBVKFXNIHR-XUJVJEKNSA-N 351.288 5.372 0 1 FKAF C[C@H]1Cc2ccc(Cl)cc2[C@@]12NCCc1c(Cl)cc(Cl)cc12 963115192 ZXGBGTZAKZMNLS-YPMLDQLKSA-N 352.692 5.228 0 1 FKAF COc1cc(CC=C(C)CC[C@@]2(C)C(C)=CCC[C@H]2C)c(O)c(OC)c1 2356391633 WFPNAXCDJWECFJ-JPYJTQIMSA-N 358.522 6.061 0 1 FKAF CC(C)C=C[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 2356636528 LLZNEPOHLDVAHJ-VOCLXHTQSA-N 370.621 7.063 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)C5=C(CC[C@H]4C3=CC[C@@H]12)COC5=O 2356795827 MMTHWGHPMFCUNV-CSNWYRLESA-N 354.534 5.829 0 1 FKAF Cc1ccc(S[C@@H](CCN2CC[C@H](C)CCC2=O)c2ccccc2)cc1 15935155 VROJWMAZCIQDLO-KNQAVFIVSA-N 367.558 5.867 0 3 FKAF Cn1ccc2cc(-c3ccc4ncnc(NCc5cccs5)c4c3)ccc21 36380611 CYPORQUKMUAFNK-UHFFFAOYSA-N 370.481 5.462 0 3 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]1(O)Oc2cc(O)ccc2C1=O 15118136 RYTFXRQJSOROHC-ZLXFKPGASA-N 370.489 5.465 0 1 FKAF CC/C=C/CCSC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28091776 YDJGESKTURUXSO-KYUOCLJZSA-N 352.540 5.071 0 1 FKAF CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C2(CCC1(C)C)CC2 28235798 MXRBWFXNNUQGPW-KRGCFESGSA-N 354.534 6.471 0 1 FKAF Oc1ccc(-c2ccc(F)cc2F)cc1-c1nnc(Nc2ccccc2)o1 28712854 YORXCGCBPXUCJJ-UHFFFAOYSA-N 365.339 5.131 0 1 FKAF CCCCCOC(=O)[C@@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)cc1 28757443 CVFZEEPNRYAKLM-RTWAWAEBSA-N 356.462 5.109 0 1 FKAF Cc1ccccc1[C@@](O)(CCCN1[C@@H](C)CCC[C@@H]1C)c1ccccc1 29551112 CSEFBNLLZLOJNN-AWRGLXIESA-N 351.534 5.274 0 1 FKAF Fc1ccc(-c2[nH]cc(CCCN3CCCCC3)c2-c2ccncc2)cc1 42967082 FVIJMQOLCRAIBU-UHFFFAOYSA-N 363.480 5.301 0 1 FKAF COc1ccc(C(=O)N2c3ccccc3Oc3ccc(Cl)cc32)cc1O 72107915 AKPZHHOHBHOKKR-UHFFFAOYSA-N 367.788 5.138 0 1 FKAF CCOC(=O)/C(=C\Nc1cc(Cl)cc(Cl)c1)c1ccc(OC)cc1 101427231 VBVGAJAPIJGBLU-BOPFTXTBSA-N 366.244 5.018 0 1 FKAF C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1 103272450 WGLCKRKVHNBWOJ-FYZMTGAWSA-N 371.609 5.282 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C\Cc1c(O)c2ccccc2oc1=O 105509067 NJJDBBUWWOAOLD-ILUNCUQESA-N 366.501 6.460 0 1 FKAF C/C=C(/C)C(=O)O[C@@H]1C/C=C(/C)CCCC(C)(C)[C@@H](OC(C)=O)/C=C\1C 144130632 DJZAMDRFIUQAJH-CLOYPDJZSA-N 362.510 5.289 0 1 FKAF CC(=O)O[C@]1(C)CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC[C@@H](C)CC(=O)O 504550542 UUVHOZKAPKYWRN-WVIAUDPISA-N 366.542 5.442 0 1 FKAF biogenic Cc1c(Br)cc2[nH]c(-c3ccc(C4CCC4)cc3)nc2c1C 586878770 AOJCCKXGMZQADP-UHFFFAOYSA-N 355.279 5.877 0 1 FKAF Cc1cc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1Br 586975836 GIUMDAYVYPGGGB-UHFFFAOYSA-N 370.077 5.531 0 1 FKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cccnc2[nH]1 586982824 QLHBOILFKLLWER-CQSZACIVSA-N 358.283 5.093 0 1 FKAF Nc1cc(Cl)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987085 ZNJBRMRRRFZKBF-UHFFFAOYSA-N 372.811 5.054 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C=C[C@H](C(F)(F)F)C4)-c1ccccc1C2=O 586996843 SYYHMNAKTKUFMW-LBPRGKRZSA-N 365.354 5.502 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)nccc4[nH]3)c21 587030917 MMCIBFDLSGMCKC-LLVKDONJSA-N 368.893 5.570 0 1 FKAF COc1cc(Cl)ccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587066661 QDMYZAHJXQVVII-UHFFFAOYSA-N 364.832 5.471 0 1 FKAF Cc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1Cl 587091154 FZYHJGUJFHQJJG-UHFFFAOYSA-N 357.788 5.241 0 1 FKAF Cc1ccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1C(F)(F)F 587095018 MQHRIQICRGHRBG-UHFFFAOYSA-N 360.166 5.183 0 1 FKAF Cc1cc(O)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587101596 ORXURTJMILALOC-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)c1 587107469 TXQIPQLKTFFJTP-UHFFFAOYSA-N 351.405 5.430 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4c(Cl)cnc(Cl)c4[nH]3)C2)c1 587131306 DCQIGZPWRFLPTN-UHFFFAOYSA-N 354.187 5.146 0 1 FKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(Cl)cc(F)c2[nH]1 587162246 FXMXZNFNUUTHTK-UHFFFAOYSA-N 368.770 5.393 0 1 FKAF CC(C)(C)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587163816 UJNHHEASZIVWCT-UHFFFAOYSA-N 372.443 5.898 0 1 FKAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc3ccccc3cc2[nH]1 587166822 APVDAXSYSMMOKH-FQEVSTJZSA-N 374.419 5.224 0 1 FKAF Fc1ccc2[nH]c(-c3nc4cccc(Br)c4[nH]3)c(Cl)c2c1 587173557 DVCLXHPPVCVOJR-UHFFFAOYSA-N 364.605 5.266 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1ccccc1Cl)O2 587377923 KZYDVRUITFGYNA-NRFANRHFSA-N 363.844 5.604 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccc(C)c(C)c3nc1Cl)O2 587379806 KZYHXRQKVRIVHY-GOSISDBHSA-N 366.848 5.102 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4F)s1)[C@@H](C2)C3=O 587426427 NMSYEAYPELPWJG-QKKBWIMNSA-N 366.413 5.052 0 1 FKAF Cc1cccc(OCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1C 587564511 USVHUPXYHPECSR-UHFFFAOYSA-N 354.759 5.431 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 587565034 UVFLUCDXUOYTKR-UHFFFAOYSA-N 364.276 5.531 0 1 FKAF CC1=CC[C@H](C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587600961 DGLQKCIJNJCSSJ-UIAACRFSSA-N 364.441 5.105 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(Cl)cc1Br 587627539 BFDPVMKCFWRYFT-UHFFFAOYSA-N 373.052 6.352 0 1 FKAF COCCCc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587922530 DZEXABRGPOVIMU-UHFFFAOYSA-N 366.461 5.677 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3cc(Cl)cc(F)c3[nH]2)cc1 587960084 VOUNLFYSRIMVQB-UHFFFAOYSA-N 350.824 5.922 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(Cl)c(F)c2)n1 653684782 YQNNPZJLAVTFRJ-LJQANCHMSA-N 367.855 5.734 0 1 FKAF Oc1ccc(-c2nc(-c3ccc(Oc4ccccc4)c(Cl)c3)no2)cc1 653771396 OAACCAGKCRIXFY-UHFFFAOYSA-N 364.788 5.555 0 1 FKAF CC[C@@]1(c2ccc(C(C)C)cc2)c2cccc(Br)c2CCN1C 963269204 GANHJHVCCXQHGU-OAQYLSRUSA-N 372.350 5.714 0 1 FKAF CC(=O)OCC[C@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C 2356411002 GOELMEMIXUGWKT-VFRYCMGASA-N 350.543 5.126 0 1 FKAF CC[C@H](O)C(=O)C[C@@H](C)CCCC(C)=CC=C[C@@]1(C)CCCc2ccoc21 2356539921 GHGXPVQCIKVWSW-PTLVVNQVSA-N 372.549 5.913 0 1 FKAF COc1ccc(C(=O)O[C@@H]2CC(C)=CCCC(C)=C[C@H]3[C@@H]2C3(C)C)cc1 2356784696 PSEUVXLMKIAASF-HBMCJLEFSA-N 354.490 5.569 0 1 FKAF CNCCc1csc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1 2382245540 KAFFAOBFSHWWAA-UHFFFAOYSA-N 352.547 5.040 0 1 FKAF C[C@]1(c2nnc(-c3ccc(Cl)cc3)o2)CC(c2cccc(Cl)c2)=NO1 13660342 RLYSLGHKLJDRSQ-GOSISDBHSA-N 374.227 5.083 0 3 FKAF CCCCOc1ccc(C2=Nc3ccccc3NC(c3ccncc3)=N2)cc1 6743636 IGKAWLGFSRXOIC-UHFFFAOYSA-N 370.456 5.211 0 1 FKAF CC(=C/C(=O)O)/C=C/[C@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C 8656249 BOOOLEGQBVUTKC-ZILRWILESA-N 352.518 5.900 0 1 FKAF CC1(C)CCC(C)(C)c2cc([C@H]3O[C@H]3c3ccc(C(=O)O)cc3)ccc21 40802052 RQPFFBDHHKQKFQ-VQTJNVASSA-N 350.458 5.546 0 1 FKAF O=C(NC1(c2ccccc2)CC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1 45245804 BTADUAVKUSTEPV-WOJBJXKFSA-N 372.468 5.031 0 1 FKAF C[C@@H](NCc1coc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCCC1 72103150 YBPLZZNMALCPBO-CYBMUJFWSA-N 352.400 5.419 0 1 FKAF Clc1ccc(-c2nc(Cn3ccnc3-c3ccccc3)co2)c(Cl)c1 72184849 YTXWRHJPUACHQX-UHFFFAOYSA-N 370.239 5.560 0 1 FKAF Fc1ccc(CNc2cc(-c3cccc(-c4ccccc4)c3)ncn2)cc1 82160869 UQMBFFBUBLTHBY-UHFFFAOYSA-N 355.416 5.562 0 1 FKAF CCCCN(Cc1ccc(Cl)cc1)c1nnc(-c2cccnc2)s1 84602101 CBWDUPRQQMYDBZ-UHFFFAOYSA-N 358.898 5.060 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)c2)cc1 95554857 PVEPINOFXQZSDJ-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF CC/C=C\CC[C@@H](O)C/C(C)=C(/C)CCCCCCCCCC(=O)O 95635848 XTJZWXWDOCJQTN-YPMNLZFTSA-N 352.559 6.416 0 1 FKAF in-vitro Cc1ccc([C@H]2CC(c3cccc(O)c3)=Nc3ccccc3S2)c(C)c1 169345012 PKSIWYZTULQELZ-HSZRJFAPSA-N 359.494 6.367 0 1 FKAF CO[C@@H](C1CCCCC1)[C@@H](C)/C=C\CC(=O)OCCCc1ccccc1 169357022 WFDPQRQYLWKFNQ-JFSYIKCKSA-N 358.522 5.340 0 1 FKAF O=C1c2ccccc2N[C@@H](c2cc3ccccc3s2)N1c1ccccc1 206843600 SLYARHVBSJWIKR-OAQYLSRUSA-N 356.450 5.672 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H]1C[C@H](c2ccccc2)CCC1=O 504197493 CBLGISWYJDCLIC-ZEWLQOSNSA-N 371.521 5.079 0 1 FKAF biogenic O=C1c2ccccc2-c2cc(/C=C/C3CCCCC3)nc3ccc(O)c1c23 586992700 XZCGLNTXTNITLV-ZHACJKMWSA-N 355.437 5.745 0 1 FKAF Cc1c(Cl)ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587016616 ZNHYYRCRGVSJHY-UHFFFAOYSA-N 367.861 5.250 0 1 FKAF COc1cc(OC)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587106677 KSBFNVKHDLOEBU-UHFFFAOYSA-N 367.404 5.130 0 1 FKAF Fc1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1Br 587106710 KXPZDWZPISHIQI-UHFFFAOYSA-N 373.147 5.074 0 1 FKAF CC[C@H](C)Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl 587420365 IGOCHRXFTLAARG-OCMWWKOBSA-N 372.848 5.015 0 1 FKAF CCOc1cc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587525104 PVSUBFRJKQOCCL-NRFANRHFSA-N 350.458 5.287 0 1 FKAF CC(C)c1c(Cc2ccc(Cl)cc2Cl)[nH]c2cc(Cl)c(F)cc12 587628980 XAMLGQUGZGBKDS-UHFFFAOYSA-N 370.682 6.981 0 1 FKAF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)cc1C 587629155 WPDKYSCNDRBIPI-UHFFFAOYSA-N 369.745 5.989 0 1 FKAF Cc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2cc(F)ccc12 587632841 SAOIGEZYYPOYBZ-UHFFFAOYSA-N 359.615 5.163 0 1 FKAF CC[C@]1(c2cccc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587814767 VNOITBCCCQDBLE-BFUOFWGJSA-N 362.286 5.084 0 1 FKAF CC(C)=C1CC[C@H](C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587817122 IVWQCKDYWOTSQZ-JMERFSKESA-N 366.318 5.474 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)s2)N1 587845799 FUGBFYMWAOBLSB-VXJOIVPMSA-N 374.706 5.101 0 1 FKAF CC[C@@H](C)c1ccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873669 KBOVGDSNZLOUSI-CYBMUJFWSA-N 366.392 5.028 0 1 FKAF C[C@]1(c2cc3cc(Cl)ccc3o2)c2ccc(F)cc2C[C@@H]2CCCN21 963110102 QKRNREFYODLNOT-LAUBAEHRSA-N 355.840 5.509 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(OC2CCCCC2)nc1 963230851 BEFWESQXXJBGRI-MHECFPHRSA-N 364.533 5.539 0 1 FKAF Cc1cccc(CCCc2ccc([C@@H]3CC=CC(=O)O3)c3ccccc23)c1 1772583947 XEGYCRNJWACZCN-DEOSSOPVSA-N 356.465 5.868 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccc(F)cc2F)s1 1857618095 BIRXGLNJESDGTF-UHFFFAOYSA-N 364.804 5.991 0 1 FKAF Cc1cccc(-c2nn3c(c2-c2ccnc(Cl)c2)[C@@H](C)C(C)(C)C3)n1 1857655069 PCMSASXVEFDJKB-CYBMUJFWSA-N 352.869 5.112 0 1 FKAF CC=C(C)C(=O)O[C@@H]1CC=C(C)CC[C@H](C(C)C)[C@H](OC(C)=O)C=C1C 2356663966 BNIDKQNFOZHCRT-NJDAHSKKSA-N 362.510 5.145 0 1 FKAF CC(=O)N[C@@](C)(c1ccccc1)c1nc(-c2ccc(F)c(Cl)c2)cs1 61929935 PSXSRQALCBGSQS-IBGZPJMESA-N 374.868 5.002 0 3 FKAF O=C1CCCCCCCCCCOC(=O)CCCCCCCCCCO1 5566842 NZFJRMSIUKQTOC-UHFFFAOYSA-N 368.558 6.108 0 1 FKAF CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3c(Cl)cccc32)CC1(C)C 22938065 NXUBPNABLKWHGY-AZUAARDMSA-N 372.915 5.082 0 1 FKAF CC(C)(C)c1cc(/C=C(/C(=O)O)c2cccs2)cc2c1OCC2(C)C 27099554 DEHXSWQWOAMUSO-NTEUORMPSA-N 356.487 5.341 0 1 FKAF N=C(N)c1ccc2cc([C@H]3C[C@@H]3c3ccccc3)cc(-c3ccoc3)c2c1 28353596 YWICPAXCVQQOLK-DHIUTWEWSA-N 352.437 5.655 0 1 FKAF CCN(CC)CC[C@@H]1C(c2ccccc2)=NN(C)[C@H]1c1ccc(Cl)cc1 28520240 KATLIWHBKOOPTD-IRLDBZIGSA-N 369.940 5.079 0 1 FKAF O=c1[nH]c(-c2ccc(-c3cccs3)s2)nc2sc3c(c12)CCCC3 28521490 GDTMXVALODSRAC-UHFFFAOYSA-N 370.524 5.320 0 1 FKAF CC(C)(C)OC(=O)n1c(-c2ccc(CCC(=O)O)cc2)cc2ccccc21 28822988 MKCFFUAMLVRSKU-UHFFFAOYSA-N 365.429 5.109 0 1 FKAF CCN(CC)CCCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 29338429 BVRWIJLLKORPHL-UHFFFAOYSA-N 374.937 5.591 0 1 FKAF CCCCN(CCCC)CCCOc1ccc(-c2csc(C)n2)cc1 29471262 GMDLWVJTPJGBGV-UHFFFAOYSA-N 360.567 5.790 0 1 FKAF CC(C)(C)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 38986875 SLOFBKMZOOTTDZ-WCZGSDDISA-N 356.506 5.206 0 1 FKAF CCO[C@H](c1cc(Cl)cc(Cl)c1)[C@H](SC(C)(C)C)n1ccnc1 45357641 TXBNGJUWIZRYNB-CVEARBPZSA-N 373.349 5.998 0 1 FKAF COc1ccc(C2c3c(Cl)cccc3C(=O)c3cccc(Cl)c32)cc1 64446869 RHIYIOUVMVDLQP-UHFFFAOYSA-N 369.247 5.727 0 1 FKAF CC1(C)C[C@](CC(=O)Nc2cccc(Cl)c2)(c2ccccc2)CCO1 72112158 XFPGARTWKWFLIZ-NRFANRHFSA-N 357.881 5.196 0 1 FKAF CCc1nc(NC(CC)CC)c(C)nc1-c1ccc(Cl)cc1Cl 72177183 JSNDUPYHVNEBAN-UHFFFAOYSA-N 352.309 5.922 0 1 FKAF Nc1c2c(nc3c1cc(-c1ccc(Cl)cc1)n3-c1ccccc1)CCCC2 73168252 IXVKGSLDYZAHMJ-UHFFFAOYSA-N 373.887 5.807 0 1 FKAF FC(F)(F)C1(Cl)[C@](Cl)(c2ccccc2)[C@]1(Cl)c1ccccc1 73243002 JHECBPQLNLDWBJ-YIONKMFJSA-N 365.609 5.809 0 1 FKAF CC[C@H](C)Nc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2F)n1 82175965 YQAYNQSFPYUMCB-NSHDSACASA-N 356.470 5.233 0 1 FKAF CCc1cnc(-c2cnc(NC3CCCC3)nc2-c2ccccc2C)s1 82177110 MSZWWEJNCXAIBQ-UHFFFAOYSA-N 364.518 5.492 0 1 FKAF O=C(Cc1cc(Cl)cc(Cl)c1)c1cc(Oc2cccnc2)ccn1 96178138 IIZWKYPODLAQRE-UHFFFAOYSA-N 359.212 5.001 0 1 FKAF CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 142595434 XMKGJJDWZVKHBI-MEDUHNTESA-N 370.251 5.167 0 1 FKAF OCCCCCCCCCCCc1nc2cccc(OC(F)(F)F)c2[nH]1 586894673 QFPKAOIHJTZRLG-UHFFFAOYSA-N 372.431 5.507 0 1 FKAF Cc1ccc(SCc2nc3ccc(Br)c(F)c3[nH]2)c(C)c1 586962786 APEINOPOCRUAJJ-UHFFFAOYSA-N 365.271 5.374 0 1 FKAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnc1Cl 586987186 UJRJMBVQBMZBPG-UHFFFAOYSA-N 372.811 5.176 0 1 FKAF CC(C)=C1CC[C@H](C)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991423 UTPLNNUXURNXNX-ZDUSSCGKSA-N 355.437 5.843 0 1 FKAF Cc1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2cc1C 587068045 WTFUFXUWDUOQBL-UHFFFAOYSA-N 362.860 5.659 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccccc2[nH]1 587071756 MYUVBQDEEJSKNA-NAVKMHBDSA-N 357.284 6.236 0 1 FKAF Cc1cc(F)c2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2c1 587076029 HHMMCSDXGRRTDT-UHFFFAOYSA-N 353.784 5.098 0 1 FKAF COc1ccc(C)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096784 HCRKEAQDXPQOGU-UHFFFAOYSA-N 365.432 5.739 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H]4C1CCCC1)-c1ccccc1C2=O 587100781 OPYRWODGHSXBIB-MRXNPFEDSA-N 353.465 5.975 0 1 FKAF O=C1c2ccccc2-c2cc(/C=C/c3cccc(Cl)c3)nc3cccc1c23 587104657 WBFUGNDJABIDNK-VAWYXSNFSA-N 367.835 6.270 0 1 FKAF Cc1c(Br)cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1C 587161714 QAUNUKFKPOXCOK-KGLIPLIRSA-N 359.242 5.352 0 1 FKAF CCCCc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587206541 NNCYGROEJMWZON-UHFFFAOYSA-N 363.460 6.456 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(OCC)cc1C)CC2=O 587478133 IAZWUDVBIXZCHX-HXUWFJFHSA-N 354.446 5.067 0 1 FKAF COc1ccc(Cl)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587504285 WGDIOPOOFSPHPK-OAQYLSRUSA-N 356.849 5.108 0 1 FKAF Cc1ccc(-c2ncc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)o1 587536151 SFJSDNPUOIKKDR-GOSISDBHSA-N 365.454 5.297 0 1 FKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cnc3ccccc3c2[nH]1 587782183 HLTNGFGRTYHECE-UHFFFAOYSA-N 367.408 5.063 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ccccc1F 587853980 CGTVZHPDPFEMEP-UHFFFAOYSA-N 365.235 5.443 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(C)c(Cl)cc3[nH]2)cc1 587931593 BJRPXCDZRISPGV-NRFANRHFSA-N 362.860 5.714 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 587932552 PWOYLVHLDUUJHZ-UHFFFAOYSA-N 369.346 5.319 0 1 FKAF CC/C(=C/c1nc2cc(F)cc(Br)c2[nH]1)c1ccc(C)cc1 587968045 SJXJXBZNOTXVJX-WQLSENKSSA-N 359.242 5.724 0 1 FKAF Cc1ccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)s2)c(C)c1 653737407 PQIFUTSPGPCIKR-UHFFFAOYSA-N 350.274 5.872 0 1 FKAF CC(C)c1nn(C)c2c1[C@](c1cccc(Cl)c1)(C1CCCCC1)NCC2 962919989 QHFLOZKKBYTLPI-JOCHJYFZSA-N 371.956 5.167 0 1 FKAF C/C(=C\CN1CCC(Cc2ccccc2)CC1)c1ccc2cc(O)ccc2c1 1772580314 XMODZSWNFXBYQN-RGVLZGJSSA-N 371.524 5.903 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(Cl)c3)cc(-c3cccc(O)c3)n2)c1 1772654029 PYBFFZJGDMSNSK-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF O=C(O)C=Cc1ccc(-c2ccc(C3C4CC5CC(C4)CC3C5)c(O)c2)cc1 2356283032 AHCOVQLXKPNEDG-UHFFFAOYSA-N 374.480 5.697 0 1 FKAF CC1(C)CCC[C@]2(CO)[C@@H]1CC[C@]1(C)[C@@H]3CCc4cocc4[C@]3(C)CC[C@@H]21 2356426919 KGLSSBJCYUTCKF-OOVHHANWSA-N 370.577 6.115 0 1 FKAF CC[P@@](=O)(OC)c1ccc2oc(-c3cccc(C(F)F)c3)nc2c1 2382252997 CVTIBCMNXPQIRG-XMMPIXPASA-N 351.289 5.002 0 1 FKAF C=C=CC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 13760812 VZAQUYXHGWCNAK-MIMUCIECSA-N 370.577 5.697 0 1 FKAF CC(C)(C)C(=O)Sc1c(F)cccc1NC(=O)C1(C)CCCCC1 26576827 ODVWJJDXHIZTHN-UHFFFAOYSA-N 351.487 5.399 0 1 FKAF CO[C@H]1CCCN(CCCCOc2ccccc2/C=C/c2ccccc2)C1 27716962 CYRVZFFNUKLYMJ-TVXVBNPNSA-N 365.517 5.127 0 1 FKAF CCC[C@H](CC)Oc1c(OC)cc(N[C@@H](C)CCCN)c2ncc(C)cc12 28221343 DNWITSZJVUGCBR-IRXDYDNUSA-N 373.541 5.049 0 1 FKAF CC(C)=C(c1ccccc1OCc1ccc(Cl)cc1Cl)n1ccnc1 28765190 BRTGQURUOZPPCN-UHFFFAOYSA-N 373.283 6.068 0 1 FKAF CCCCC[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 32288916 VIEGBWJBDLNCHK-QEDSVCCZSA-N 356.550 5.894 0 1 FKAF CC(C)(C)c1cnc(CSc2cnc(NCC3CCCCC3)s2)o1 40430983 GAWLYGKVBBQKJR-UHFFFAOYSA-N 365.568 5.713 0 1 FKAF CN1CCc2cc(Cl)c(O)cc2[C@@H]1Cc1ccc(Cl)cc1Cl 45257608 ANSPOQSLVFCMFC-INIZCTEOSA-N 356.680 5.124 0 1 FKAF Fc1cc(C(F)(F)F)cc2c1N[C@@H](c1ccccc1)[C@@H]1CCCO[C@H]21 49013815 TVVSAVABKGRZOD-OWQGQXMQSA-N 351.343 5.479 0 1 FKAF CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1(C)C 58504658 PUQPKVFFZKBJLD-CTNGQTDRSA-N 372.915 5.082 0 1 FKAF CCCc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1C[C@H](C)CC 82185239 KUCGREDZGCCDKV-CQSZACIVSA-N 371.916 5.090 0 1 FKAF CO[C@@]1(c2ccc(F)cc2)C=CC(C2CCCCC2)(C2CCCCC2)OC1 103215729 WVBYAKBIQIYTJT-QHCPKHFHSA-N 372.524 6.153 0 1 FKAF CC[C@@H](O)c1ccc(Br)c(Oc2cccc(Cl)c2)c1OC 169329368 TUIQKYUDKDMHMZ-CQSZACIVSA-N 371.658 5.347 0 1 FKAF CCC1=CC2=N/C1=C/c1ccc([nH]1)CCCCCCCCCc1ccc2[nH]1 169692413 IWCZUNJQRMEDCV-HAVVHWLPSA-N 361.533 6.352 0 1 FKAF CC(=O)OC[C@@H](C)CCC[C@@H](C)[C@H]1CC[C@H](C)[C@@]12CC=C(C)[C@@H](O)C2 238761302 PHWZKSVZUYICPH-CBOKZWGASA-N 350.543 5.126 0 1 FKAF CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC/C(C)=C/C(=O)O)C(C)=CC[C@H]2C1(C)C 238770176 JAOSZJFNMXPMLX-BULWIKRESA-N 362.510 5.138 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@](C)(O)[C@H]1C[C@H]4C1(C)C)-c1ccccc1C2=O 587101357 MMYLGCCHTRDIEZ-YPBQGGFRSA-N 369.464 5.105 0 1 FKAF COC(=O)CCCC[C@H](C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106111 IEZCRYISTVUEKZ-HNNXBMFYSA-N 373.452 5.283 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cccc(Cl)c3[nH]2)c1 587157763 GBQIQTFUYJOEFL-UHFFFAOYSA-N 366.823 5.622 0 1 FKAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cccc(Cl)c3[nH]2)c1 587159290 OYZKQTRXOTYRTQ-UHFFFAOYSA-N 362.795 5.361 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587170009 HRIDSHSZNCBYOG-VIFPVBQESA-N 355.360 5.012 0 1 FKAF CC[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349630 GHTBFOQDCVASHU-RBQRDFNRSA-N 354.421 5.229 0 1 FKAF CC(C)C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354826 OVGUWOGGBNPYQV-RBBKRZOGSA-N 356.437 5.331 0 1 FKAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1Cl)(C(C)(C)C)[C@@H](C2)C3=O 587428439 ZKBVEIIERWGNMK-BTYIYWSLSA-N 374.839 5.177 0 1 FKAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCC[C@H](C(F)(F)F)C1)CC2=O 587463992 FVERMHOCPMCTMK-PEBVRCNWSA-N 356.384 5.047 0 1 FKAF O=C1C[C@@H](c2ccc(C(F)(F)F)s2)Oc2c1ccc1c2CCCC1 587508319 ONTBSVJLQJXCKG-AWEZNQCLSA-N 352.377 5.352 0 1 FKAF CCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2c(C)cc(Cl)cc12 587623994 CVMGRJGCVFOSAI-UHFFFAOYSA-N 353.771 6.258 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)cc2)N1 587695692 CPEYRVXPIMZTIA-QGHHPUGFSA-N 368.677 5.039 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2cccc(Cl)c2)N1 587705231 XVXFKHYKQYQEOB-DYZYQPBXSA-N 368.677 5.060 0 1 FKAF COc1ccc2c(c1)[C@H](C)[C@@]1(CC2)c2ccc(C(F)(F)F)c3c2CCN31 962698397 HFWZDKBHRMGYGR-YUNKPMOVSA-N 359.391 5.035 0 1 FKAF COc1ccc(Cl)c2c1CCN[C@]2(CC(C)C)c1ccc(Cl)cc1 963260464 WYGGFWGALJYUGP-HXUWFJFHSA-N 364.316 5.437 0 1 FKAF O=C1CCCC2=Nc3ccc4ccccc4c3[C@@H](c3ccc(F)cc3F)[C@H]12 1857579637 BDSQEWOLDRMDTE-PKTZIBPZSA-N 361.391 5.705 0 1 FKAF CC(C)=CCCC(C)=CCN1C(=O)[C@]2(OCCC=C[C@@H]2C)c2ccccc21 1857623143 BBKUPXVFOVUPDN-GBXCKJPGSA-N 365.517 5.534 0 1 FKAF O=C(C=CCCCCCCC=Cc1ccc2c(c1)OCO2)N1CCCCC1 2356577393 CHOLQJRIMZGPNC-UHFFFAOYSA-N 369.505 5.338 0 1 FKAF COC(=O)C(C)=CCCC(C)=CCC[C@]1(C)CCc2c(C)cc(O)cc2O1 2356672915 BPXVQJXAZDTYFP-HSZRJFAPSA-N 372.505 5.410 0 1 FKAF COc1ccc2c(c1)C(C1=C[C@H](C)N(C)CC1)=Nc1cc(Cl)ccc1N2 2382234354 ZWNNGKIBLRYSNC-ZDUSSCGKSA-N 367.880 5.177 0 1 FKAF CCCCc1c(-c2ccc(Cl)cc2)ncn1CCc1ccccc1OC 95565533 BLPSXAULCWNZGZ-UHFFFAOYSA-N 368.908 5.797 0 3 FKAF O=P(/C=C1\OCc2ccccc21)(Oc1ccccc1)Oc1ccccc1 95604914 CSLRMHUQLCDPEM-PGMHBOJBSA-N 364.337 5.866 0 3 FKAF O=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 597843 MHVQZSQFNIXABK-UHFFFAOYSA-N 360.284 5.356 0 1 FKAF O=C(O)CCCCCCc1csc(CCCc2ccc(Cl)cc2)c1 13726616 FKMBIKUSMNUQPZ-UHFFFAOYSA-N 364.938 6.154 0 1 FKAF Cc1noc(C)c1-c1ccc2ncnc(N[C@H]3CCCc4ccccc43)c2c1 13828598 QTOXZTTWEGOZBI-NRFANRHFSA-N 370.456 5.391 0 1 FKAF CCC[C@@H](C)CCCCCCCCCCCCCCOC[C@@H](O)CO 15261835 UZBZUESMKWXVBH-YADHBBJMSA-N 358.607 5.864 0 1 FKAF biogenic CCCO[C@H]1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 26994026 PDCKFSAAPNNPMC-NRFANRHFSA-N 353.437 5.918 0 1 FKAF O=C1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 40575581 HTTRVPAJFFVJTE-SCEDHHNCSA-N 359.513 5.162 0 1 FKAF Cc1ccc([C@@H](CCN(C)C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 45286298 PKZUKNKGFLPJNY-XMMPIXPASA-N 372.512 5.085 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cnc(C)c1 45358621 LIQHJFUFDAHGIS-IAGOWNOFSA-N 352.931 5.653 0 1 FKAF CCN(CC)C(=S)S[C@H](CC(=O)c1ccccc1)c1ccc(C)cc1 49588973 QNWQXMLBJCQZQG-HXUWFJFHSA-N 371.571 5.669 0 1 FKAF COc1c(C(C)(C)C)cc(/C=C/c2cc(O)cc(O)c2)cc1C(C)(C)C 66252443 MCLUTQURDBHYQQ-CMDGGOBGSA-N 354.490 5.872 0 1 FKAF O=C(O)CCCCCCCCCCC[C@@H]1C[C@H]2[C@H]1[C@H]1[C@H]2[C@@H]2[C@@H]3CC[C@H]3[C@@H]12 102184848 ZPDCFDULRXOVLT-VSSAGFFRSA-N 358.566 6.146 0 1 FKAF [18F]CCCC[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 102898171 JJMQPXXODDTMDK-RFFBRQACSA-N 352.484 5.389 0 1 FKAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3ccc4ncccc4c32)cc1 104052126 HQEJDBGGJWFDHG-OAQYLSRUSA-N 356.425 5.457 0 1 FKAF C=Cc1cnc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn12 146874460 CXEKOMMCTXDDHB-UHFFFAOYSA-N 366.468 5.044 0 1 FKAF Cc1noc(C)c1-c1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c2c1 169322617 ZUJXHMIFKGFLRK-UHFFFAOYSA-N 372.255 5.663 0 1 FKAF CN1[C@@H]2CC[C@@H]1[C@H](c1nc3ccccc3s1)[C@@H](c1ccc(Cl)cc1)C2 169371675 VNCQCMIYVRPIMZ-QQTQMKHKSA-N 368.933 5.684 0 1 FKAF C[C@@H](N=O)c1ccc(Sc2cc([C@@]3(C)COC(C)(C)O3)cs2)cc1 169713707 KADXHSAARFZZMI-KZULUSFZSA-N 363.504 5.725 0 1 FKAF C[C@@H](N=O)c1cccc(C(C)(C)NC(=O)Nc2ccc3cccnc3c2)c1 169728273 PESDOJUUKFOYAA-CQSZACIVSA-N 362.433 5.119 0 1 FKAF CC1=CCC(C)(C)C[C@@H](OC(=O)/C=C/c2ccc(O)cc2)CC(C)=CCC1 253679271 SPBVSJHMHZCQRT-NFNUGXLNSA-N 368.517 6.200 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587068902 FRPKDDMFHGXLSP-QMMMGPOBSA-N 368.651 5.295 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(O)cc2[nH]1 587071431 KRHQTUURSOCMAP-YRHSSUKESA-N 373.283 5.941 0 1 FKAF CCc1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 587072422 WFQSXGSJZYBBFN-UHFFFAOYSA-N 368.267 6.161 0 1 FKAF Cc1cc(Cl)cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135394 YZAVUQLVMXEJGI-IHWYPQMZSA-N 358.697 5.391 0 1 FKAF Cc1ccc(/C=C\c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1F 587146884 ZQXGTSVUBPNREF-PLNGDYQASA-N 371.284 5.230 0 1 FKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(F)c(F)c3[nH]2)cc1F 587151568 RQNKJDTXEHPHBT-LJQANCHMSA-N 372.321 5.288 0 1 FKAF Cc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1Cl 587164781 XEIRZZYFNIXCAG-XNTDXEJSSA-N 368.864 6.314 0 1 FKAF Cc1ccc(-c2ccc(O[C@@H](C)c3cc4c5c(cccc5n3)CC4)cc2)cc1 587211909 MNNILVUWHPFZFC-SFHVURJKSA-N 365.476 6.449 0 1 FKAF COc1cccc(-c2cc(-c3cn(C)c(C)n3)nc3c2oc2ccccc23)c1 587362683 JHGHCIOGJUAEJW-UHFFFAOYSA-N 369.424 5.366 0 1 FKAF Cc1cc(C)cc(Oc2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587402703 GMVRDEOSJLSUNA-QHCPKHFHSA-N 373.452 5.693 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ncccc3F)o2)Oc2c1ccc1c2CCCC1 587500281 AYBUFTWAWLKPKN-FQEVSTJZSA-N 363.388 5.066 0 1 FKAF CC(C)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587601749 GXRWEHLAFDSSNN-REWPJTCUSA-N 360.409 5.219 0 1 FKAF CCOc1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1C 587779271 ZVBOBSXMOLOLLH-UHFFFAOYSA-N 358.441 5.516 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C=C2CCCCC2)N1 587815666 OMRUCGFCHXDEII-XIKOKIGWSA-N 352.291 5.228 0 1 FKAF CSc1ccccc1[C@@]1(c2ccsc2)NCCc2ccc(F)c(C)c21 962093001 OHHXKYMSEPNBEH-OAQYLSRUSA-N 369.530 5.355 0 1 FKAF Cc1c(F)ccc2c1[C@H](c1ccc(SCc3ccccc3)o1)NCC2 962373029 IITJIJTYJHLARH-NRFANRHFSA-N 353.462 5.255 0 1 FKAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc([C@H]4CCCCO4)cc3)c(F)c12 1772577229 BSXVXZNQNRLKOC-MRXNPFEDSA-N 373.811 5.567 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@]34C)C1=CC=C2c1cccnc1 1772585168 FFRRMTGITZKOSB-ORQVCOOVSA-N 363.545 5.789 0 1 FKAF CC1=C(/C=C/C(=C/C=C/C(=C/CN)C(C)(C)C)C(C)(C)C)C(C)(C)CCC1 1857559386 WWFMBBPWAFXMFU-PQOCCUSGSA-N 369.637 7.529 0 1 FKAF Cn1ccc2cc(-c3cnc4cnc(-c5ccccc5Cl)cn34)ccc21 1857616242 FZACFLHRFXZSKI-UHFFFAOYSA-N 358.832 5.208 0 1 FKAF COc1cc(/C=C/c2ccccc2C)c(C(=O)O)c(O)c1CC=C(C)C 2382227057 WILGOMJARKTZEF-ZHACJKMWSA-N 352.430 5.087 0 1 FKAF O=C(CSc1nc2cc(Cl)ccc2s1)N1CCCc2ccccc21 804790 LDBPOROUSOKIAD-UHFFFAOYSA-N 374.918 5.021 0 3 FKAF COc1ccc([C@@H]2C[C@@](O)(c3ccccc3)Oc3c(C)ccc(C)c32)cc1 13661758 WYYQQTXSEYRJPH-URXFXBBRSA-N 360.453 5.072 0 3 FKAF Fc1ccc(CN(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 3639497 WUHJWXFYWWCLJI-UHFFFAOYSA-N 357.432 5.028 0 1 FKAF C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccc(OC)cc1 13218775 VUGPMUJMIOGVIF-UHFFFAOYSA-N 365.436 5.491 0 1 FKAF Sc1nc(-c2ccc(Cl)cc2Cl)nn1Cc1ccc(Cl)cc1 13536893 DGRVFDNWWKFZTG-UHFFFAOYSA-N 370.692 5.242 0 1 FKAF CCCCC[C@@](C)(O)/C=C/[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C/C=C\CCCC(=O)O 27558178 ZVXFCSQGGXYOEG-WZYUWGSRSA-N 362.554 5.737 0 1 FKAF CC(=O)c1c(Nc2ccc(C(C)(C)C)cc2)[nH]c2c(F)ccc(F)c2c1=O 40950180 SUVKDTBENLRJBS-UHFFFAOYSA-N 370.399 5.050 0 1 FKAF N=C1C(=S)N(c2ccc(Cl)cc2)C(=O)N1c1cccc2ccccc12 45318713 AXODPIIUISHRCL-UHFFFAOYSA-N 365.845 5.244 0 1 FKAF CCCCCCc1cn([C@@H](C)c2ccc3sc4ccccc4c3c2)nn1 84671531 BKOJITXYEKIXDQ-INIZCTEOSA-N 363.530 6.378 0 1 FKAF COc1cccc2c1CCc1cc(Nc3ccc(F)cc3F)ccc1C2=O 95572999 LOONNPLXFHJQBY-UHFFFAOYSA-N 365.379 5.047 0 1 FKAF c1csc(C2(c3cccs3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)c1 100729130 LLQIOVDBZFGPAS-UGKGYDQZSA-N 372.538 5.522 0 1 FKAF CCC[C@H](C(=O)O)c1c(C)nc2ccc3c(c2c1-c1ccc(C)cc1)CCC3 140322688 MNMDSGXKGOEYSF-FQEVSTJZSA-N 373.496 5.976 0 1 FKAF Cc1ccc(C2=NN(c3nc(O)cs3)[C@H](c3ccc(Cl)cc3)C2)cc1 169726243 PUNQXALVACTHRP-KRWDZBQOSA-N 369.877 5.166 0 1 FKAF C[C@H]1CC[C@@]2(C)[C@H](C)C(=O)CC[C@@H]2[C@]1(C)COc1ccc2c(c1)OCC=C2 238765509 UXUTZFNIXIHZJK-SBWRPUSSSA-N 368.517 5.529 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cc(Br)ccc4Cl)[nH]c32)n1 586979864 DRJRQFNWPRVLKD-UHFFFAOYSA-N 372.653 5.502 0 1 FKAF Fc1cc(Br)c2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 587027984 KMJGNBINFQGWFG-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF Cc1cc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c(C)n1 587041124 VTAJUGNMESOYLB-UHFFFAOYSA-N 372.497 5.420 0 1 FKAF O=C(Nc1ccccc1Cl)c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 587060973 XSCVCKJXUBHWLG-UHFFFAOYSA-N 374.149 5.141 0 1 FKAF Clc1ccccc1-c1nc(-c2nc3ccc(Br)cc3[nH]2)co1 587062161 CYAAOKFWPGVFKM-UHFFFAOYSA-N 374.625 5.301 0 1 FKAF Cc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1C 587064715 NUENGKCDEAOVBI-UHFFFAOYSA-N 352.821 5.672 0 1 FKAF Cc1ccc2c(ccc3[nH]c(-c4cc(-c5cccc(Cl)c5)[nH]n4)nc32)n1 587068332 QWLGCRPBCUTLSA-UHFFFAOYSA-N 359.820 5.130 0 1 FKAF Clc1ccc(C2(c3nc4ccc(Oc5ccccc5)cc4[nH]3)CCC2)cc1 587074218 SWKOWYPGRHSPKV-UHFFFAOYSA-N 374.871 6.479 0 1 FKAF CC(C)(C)c1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587093339 LKSBJLXLTVIFFH-UHFFFAOYSA-N 365.424 5.577 0 1 FKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(Cl)cnc3[nH]2)c1 587093995 XYCIUCHKNUGDEH-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF Cc1nc2c(C)ccc3c2c(c1[C@H]1C[C@H]2CC[C@H]1C2)-c1ccccc1C3=O 587099587 NTUMPCLFYVFJNC-FTRWYGJKSA-N 353.465 5.967 0 1 FKAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587169049 RIOPCNIFNIHPAC-VIFPVBQESA-N 356.344 5.454 0 1 FKAF c1ccc(COc2ccccc2[C@H]2Cc3c2nc2cccc4c2c3CC4)cc1 587215044 ZKPBVYZZNNCDDK-OAQYLSRUSA-N 363.460 5.600 0 1 FKAF CC[C@H](C)[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353167 OAKCJEHDYJBFHI-YANVNDTPSA-N 368.448 5.475 0 1 FKAF COc1cccc(-c2cc(-c3ccncc3)nc3c2oc2ccccc23)c1 587364034 WAEGJCSKTSYWQU-UHFFFAOYSA-N 352.393 5.719 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(C(C)C)cccc31)CC2=O 587484716 HVGRCENKJKJQJI-HSZRJFAPSA-N 366.457 5.111 0 1 FKAF C[C@]1(c2ccc(Cl)nc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587503032 WCQJTUBTBCHGRF-LJQANCHMSA-N 362.256 5.148 0 1 FKAF CC(C)Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587515696 OLPAXYPYZVFYOX-QFIPXVFZSA-N 374.484 5.278 0 1 FKAF O=C1CC(C2CCCCC2)(C2CCCCC2)Oc2c1ccc1c2CCCC1 587526801 SPNARCNBSVXIJZ-UHFFFAOYSA-N 366.545 6.430 0 1 FKAF O=C1C[C@@]2(CCc3ccc4ccccc4c32)Oc2c1ccc1c2CCCC1 587526808 STFINKNSHYTTGY-RUZDIDTESA-N 354.449 5.526 0 1 FKAF O=C(O)Cc1c(-c2cc(Cl)ccc2Cl)[nH]c2cc(Cl)c(F)cc12 587628065 GRZYNEKMTVWYTJ-UHFFFAOYSA-N 372.610 5.561 0 1 FKAF CCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2ccc([C@H](C)CC)cc12 587643872 XVPHDRKEXCIFCO-CYBMUJFWSA-N 361.407 6.809 0 1 FKAF Cc1ccc2[nH]c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587802101 JTCDYOZUPQSCFT-WLRWDXFRSA-N 373.269 5.002 0 1 FKAF CCCCC/C=C/[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814429 HTFMVUCJKARQIS-CVCPUKRESA-N 354.307 5.474 0 1 FKAF CC(C)C[C@@H]1CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587818372 RBIZMDMKFDCDDB-VBHSOAQHSA-N 354.307 5.164 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc2ncccc12 587863312 XUMPQKLBEFFUOZ-UHFFFAOYSA-N 369.346 5.115 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Br)cnc2[nH]1 587950902 GUJYJAMTXZONAH-NSHDSACASA-N 368.234 5.014 0 1 FKAF CC(=O)c1cccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1 653670138 GPKFLQJNLHWKBS-OAQYLSRUSA-N 357.457 5.144 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1c(F)ccc(Cl)c1Cl 963105302 MBMCRGZUORZRGW-XIKOKIGWSA-N 354.227 5.382 0 1 FKAF C[C@@H](c1ccc(Cl)c(F)c1)c1ccc2c(c1)Nc1ccccc1S2 2382255231 OAOWKVKGNMGZTR-LBPRGKRZSA-N 355.865 6.839 0 1 FKAF COc1ccc2c(c1)nc1n2[C@H](c2c(Cl)cccc2Cl)SC1 5544231 GYCGPAKNEADXKK-INIZCTEOSA-N 351.258 5.145 0 1 FKAF CC/C(=C(/c1ccc(O)cc1)c1cccc(OCC(=O)O)c1)c1ccccc1 13799683 DQNDLMZHZOYCAU-ZNTNEXAZSA-N 374.436 5.225 0 1 FKAF C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc2oc3ccccc3c2c1 13863355 HNAGEJMQERTMKG-IVZQSRNASA-N 374.440 5.172 0 1 FKAF CN(C)CCOc1ccc(C2=C(c3ccccc3)CCc3ccccc32)cc1 26164803 WWQTVTIPPHFWAD-UHFFFAOYSA-N 369.508 5.532 0 1 FKAF CC(C)c1cc(Sc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1O 26748968 TZHAPZSLCPMGFD-UHFFFAOYSA-N 356.437 6.612 0 1 FKAF CC[C@H]1[C@@H](C)CC[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13 40701177 LOXDVVJBFLMGGL-AZRGUKFXSA-N 353.550 5.133 0 1 FKAF CCCCN(C(C)=O)c1ccc2c(c1)[C@@H]1C[C@H]2CCN1Cc1ccccc1 61924189 VUVVUBCWFOOBRD-YKSBVNFPSA-N 362.517 5.274 0 1 FKAF 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 141910076 KSNHBAFYACINHV-PQNVCAMDSA-N 353.550 5.569 0 1 FKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(n5ccnc5)[C@@]4(C)CC[C@@H]32)C1 141914338 HOIMBCGDZDYJSL-WAUHAFJUSA-N 352.522 5.312 0 1 FKAF C1=NC[C@@H](C23C[C@H]4C[C@@H](CC(C5CCCC5)(C4)C2)C3)N1C1CCCCC1 169327571 ZPGJPEKCKGPNDY-HTYBTHQDSA-N 354.582 5.808 0 1 FKAF COC1=CC2=N/C1=C/c1ccc([nH]1)CCCC/C=C\CCCc1ccc2o1 169692415 HJMNUBVHAOYKGT-CJGJWRSVSA-N 362.473 5.587 0 1 FKAF CC/C=C\C/C=C/C/C=C\CCCCCCCCCc1ccc(C=O)[nH]1 209607557 VEOUIFWXVMDSPJ-PCMISOECSA-N 355.566 7.349 0 1 FKAF Cc1cc(-c2nc3cc(Cl)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879306 NYDAIRRPPPKOIW-UHFFFAOYSA-N 362.816 5.557 0 1 FKAF Cc1cc(Cl)cc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587004966 GPYWMGMLUPUGGJ-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF CCc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587050204 FPTYYFFFBJXLKI-UHFFFAOYSA-N 357.240 6.359 0 1 FKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c1 587052120 ZVPQRLZUTQQLMG-UHFFFAOYSA-N 369.896 5.775 0 1 FKAF Oc1cccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 587141597 WMFUCYPBYMTTGX-UHFFFAOYSA-N 368.408 5.506 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(C)c(C)cc3[nH]2)c1 587159189 LYCWBFURUAMBQS-UHFFFAOYSA-N 360.432 5.585 0 1 FKAF CC[C@@H](C)c1ccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587391185 QBMTUAYIVYFILL-MWTRTKDXSA-N 374.484 5.588 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccccc3)c(C)c1)O2 587403988 SKWLJKPVRIKHKC-QFIPXVFZSA-N 359.425 5.384 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CCC)(CCc1ccccc1)CC2=O 587491328 WQWJWHHTBGHRPI-HSZRJFAPSA-N 352.474 5.482 0 1 FKAF CC1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(F)cc2O1 587505591 JEKXNSFXHGQMSI-HSZRJFAPSA-N 366.432 5.126 0 1 FKAF O=C1C[C@H](CCc2ccc3cnccc3c2)Oc2c1ccc1c2CCCC1 587514135 GUQYYEIIQVXSLI-FQEVSTJZSA-N 357.453 5.080 0 1 FKAF O=C1C[C@]2(CCCC[C@H]2Cc2ccccc2)Oc2c1ccc1c2CCCC1 587526059 QKTBCMQBKPMPFC-CPJSRVTESA-N 360.497 5.702 0 1 FKAF O=C1C[C@]2(CC3(CCC3)Oc3ccccc32)Oc2c1ccc1c2CCCC1 587530168 BFUCJVIWPKDGHB-XMMPIXPASA-N 360.453 5.131 0 1 FKAF CCCCCC[C@]1(CCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601202 RJCSECOTTLSFDF-REWPJTCUSA-N 368.473 5.863 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CCCC[C@@H]3C2)N1 587817519 LLCQAPOIFPFIAY-QGDIXAPHSA-N 366.318 5.308 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2CCCCCC2)N1 587818190 GPCIZXZJFWWVCN-BLLLJJGKSA-N 354.307 5.524 0 1 FKAF Cc1nn(CCc2nc(-c3cccc(Cl)c3)cs2)c(C)c1Cl 587921408 WPYFSFRDKBIYDJ-UHFFFAOYSA-N 352.290 5.173 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)cc1OC 587928816 MYQUFMQEXOZHHA-UHFFFAOYSA-N 358.441 5.531 0 1 FKAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587931762 STQJPIYFLAVOML-KZULUSFZSA-N 364.342 5.175 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 587958628 CEUDZXJEHDYEKY-UHFFFAOYSA-N 368.267 5.831 0 1 FKAF COc1c(Cl)cccc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772585258 PIGAAYUJTATMQL-HNNXBMFYSA-N 373.861 5.079 0 1 FKAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C3CC3)cc21 1857593649 XDPJWTKIWJDBAE-UHFFFAOYSA-N 368.480 5.218 0 1 FKAF CC(C)(C)c1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)cc1 3937424 OJXBWJPEOYLSQM-UHFFFAOYSA-N 359.448 5.535 0 1 FKAF Fc1cc2nc3n(c2cc1F)[C@@H](c1c(Cl)cccc1Cl)SC3 12939440 PJLIXBWBUQRGNL-OAHLLOKOSA-N 357.212 5.415 0 1 FKAF CCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccccc2)n1 13642399 ZOPGLRUIVLIYDQ-UHFFFAOYSA-N 361.228 5.023 0 1 FKAF CCOC(=O)CCCOc1cccc(/C=C/c2ccc3ccccc3n2)c1 13727960 LGFNWYHWAVUQBZ-WYMLVPIESA-N 361.441 5.127 0 1 FKAF CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3cccc(N)c3)cc12 14945742 XQKJVNGGVLHNLA-UHFFFAOYSA-N 360.383 5.108 0 1 FKAF investigational C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1C3=CC[C@H](c4ccc(=O)oc4)[C@@]3(C)CC[C@@H]12 27633843 LPARRDGBTTTYTR-RXXPFFJOSA-N 368.517 5.047 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CC[C@@H](C)C(=O)NCCF 31261603 HMMNZALKMVCHHZ-VUXFYNJCSA-N 363.561 6.464 0 1 FKAF C=C1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)OC(C)=O 36323075 FBVIOYXUKJUFCN-ABOBXUOQSA-N 356.506 5.006 0 1 FKAF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccsc1 36408327 BODGMWGFDCGVTP-UHFFFAOYSA-N 373.953 5.664 0 1 FKAF CSc1nnc(-c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)o1 40860325 ZGQICUGFYFDDGM-UHFFFAOYSA-N 358.426 5.155 0 1 FKAF c1cc(-c2nc(CNC3CCCCCC3)co2)ccc1OC1CCCCC1 72101312 YFUIYNSSPBEWRR-UHFFFAOYSA-N 368.521 5.866 0 1 FKAF CC[C@@H](C)Cn1c(CC(C)(C)C)nc2c(NCc3cccs3)ncnc21 82178929 GQLYAGGEJGXUOO-CQSZACIVSA-N 371.554 5.135 0 1 FKAF C[C@H](CCNCc1ccc(Cl)cc1)COc1cccc2ncccc12 95593485 CLUIYPQONMQFOB-MRXNPFEDSA-N 354.881 5.083 0 1 FKAF Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cnccc1Cl 96926862 GJGRLDKXWFIFJV-UHFFFAOYSA-N 363.804 5.104 0 1 FKAF COc1ccccc1-c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 199852424 GCHLIMPVMXZIHA-UHFFFAOYSA-N 371.358 5.633 0 1 FKAF Cc1ncc(NC(=O)Nc2cccc3ccccc23)c(-c2ccccc2)n1 584646195 QTGKTWMSCVUXHK-UHFFFAOYSA-N 354.413 5.249 0 1 FKAF in-vitro CC[C@@]1(C)C[C@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 586889815 MZMSMJVLNPNOCJ-AOMKIAJQSA-N 374.444 5.192 0 1 FKAF CC[C@@]1(C)C[C@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 586891570 RWRSEPGBGGWWRQ-SGTLLEGYSA-N 365.315 5.654 0 1 FKAF O=C1c2ccccc2-c2cc(CCc3ccc(F)cc3)nc3ccc(O)c1c23 586988527 KOCSXBWRBOZLDP-UHFFFAOYSA-N 369.395 5.076 0 1 FKAF CCc1ccc(-c2nc(-c3nc4cc(Cl)cc(F)c4[nH]3)cs2)cc1 587015502 FUTPYFQGWRRIDC-UHFFFAOYSA-N 357.841 5.708 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc12 587031471 RYCVTASZKWHKHA-CYBMUJFWSA-N 361.514 6.139 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](C(F)(F)F)CC3 587103574 KJYFJCITBRBETP-LLVKDONJSA-N 353.343 5.113 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(C(C)=O)cc4[nH]3)ccc2F)cc1 587139433 JCWPTJYEMGBCTC-UHFFFAOYSA-N 372.399 5.441 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587165348 RRLONLQHBTUMQO-UHFFFAOYSA-N 366.417 5.259 0 1 FKAF CC1(C)[C@@H](CC(=O)O)C[C@H]1c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587207735 WWUXEZXZSLONQF-ACJLOTCBSA-N 371.436 5.051 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cnc4ccsc4c3)nc3cccc1c23 587208324 PZLNDTUCHLHJJE-UHFFFAOYSA-N 364.429 5.723 0 1 FKAF CC(C)=CC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354638 OIOMGHYUGNNYDY-GGAORHGYSA-N 366.432 5.395 0 1 FKAF CC[C@H]1CCCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587366935 OMXCUNOEYZVWII-HNNXBMFYSA-N 357.453 6.487 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc3ccccc3c1C)CC2=O 587493799 GRGSUSWIAHOTMK-JOCHJYFZSA-N 366.482 5.748 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cl)c2F)N1 587725009 BADKURZXGBNUEO-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCCCC2)(C2CC2)N1 587814296 GSXSCNLQMKUKJA-CWTRNNRKSA-N 366.318 5.308 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3cnc4ccccc4c3[nH]2)cc1 587935754 IZDXFBFOQOSRCV-QFIPXVFZSA-N 365.436 5.300 0 1 FKAF FC(F)(F)Oc1cccc2nc(/C=C/c3cccc4ccccc34)[nH]c12 587970132 YRESMNPHGWTNEA-VAWYXSNFSA-N 354.331 5.785 0 1 FKAF CSc1ccc2c(c1)[C@]1(CC2)NCCc2cc(-c3ccccc3)ccc21 962666811 LOYQQGNTKSOQRP-XMMPIXPASA-N 357.522 5.411 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2C)(C2CCCCC2)N1 962953293 QPVVARURJDGVRT-FNZWTVRRSA-N 372.556 6.225 0 1 FKAF Cc1cc(=O)oc2cc(NC(=O)c3ccc(-c4cccs4)cc3)ccc12 1772645358 VIOJPRDCJGVYHF-UHFFFAOYSA-N 361.422 5.082 0 1 FKAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=N)N)CC[C@]4(C)[C@H]3CC[C@@]21C 1857623343 BVOSELRYSDLZIT-VZPGMSLXSA-N 374.594 5.150 0 1 FKAF CO[C@H]1CCCc2[nH]c(=Nc3ccc(C(F)(F)F)cc3Cl)sc21 1857766278 KTVSDWQWJKDETG-LBPRGKRZSA-N 362.804 5.005 0 1 FKAF CCCCC=CCCCCCCCCCCCc1cccc(O)c1C(=O)O 2356385239 KFSFAHOBWUACJO-UHFFFAOYSA-N 374.565 7.280 0 1 FKAF CC(=CC=C[C@H](C)C(=O)O)CCC1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C 2356386528 MCGZTMASYFHHQZ-ZCVJKFOLSA-N 358.566 6.933 0 1 FKAF C[C@@H]1[C@H]2CC[C@H]3[C@]4(C)CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C 2356702901 AYYIATOVDZJSNR-QRDKXBPTSA-N 370.625 5.200 0 1 FKAF CCCC[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3ccc(C)cc3)C2)[C@H]2CCCCN12 203468214 RTAWOHQAFLEOCR-WHCFWRGISA-N 370.537 5.365 0 3 FKAF CCOc1c(/C(C)=C\C=C\C(C)=C\C(=O)O)cc(C(C)C)cc1C(C)C 13522225 HQROCOFWMCGIQB-IXGCMVFISA-N 356.506 6.323 0 1 FKAF C[C@@]12C=C(/C=C/CCc3ccco3)[C@@](C)(C1)[C@@H](CCc1ccco1)CC2=O 13783094 HSYVZZKTEPXIFY-TWEBGKJSSA-N 364.485 5.926 0 1 FKAF O=C(O)COc1cc2cc(C3CCCCC3)sc2c(Cl)c1Cl 26381331 QHVPZASRHWKLMF-UHFFFAOYSA-N 359.274 5.719 0 1 FKAF CCCS[C@@H]1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 27076110 KXZQVMAYYXKOIF-NRFANRHFSA-N 351.515 6.495 0 1 FKAF CC1(C)C[C@@](NC(=S)Nc2cccc(Cl)c2)(c2ccccc2)CCO1 72110809 ZQXIIQAXHYMIHX-HXUWFJFHSA-N 374.937 5.111 0 1 FKAF CCc1cnc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccco2)s1 82165419 SGKJBVQEZRLNGY-CZUORRHYSA-N 368.506 5.413 0 1 FKAF OCc1ccc2c(c1)[C@@H]1N=NC(c3ccc(-c4ccc(O)cc4)cc3)=C1C2 87612871 UULCTBOACATFCX-QHCPKHFHSA-N 354.409 5.026 0 1 FKAF Oc1ccc(-c2cc(-c3ccncc3)nc(-c3cccc(Cl)c3)c2)cc1 95555903 FSOMRXPGRQWZEP-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF CCCCC[C@@H](O)/C=C/[C@H]1[C@@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)C2(C)C 101323705 PSDQYGKBECOLJX-YNXNGROBSA-N 362.554 5.593 0 1 FKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc3ccccc3c2)C1 103255306 MCVGIRNUHREYLP-OAQYLSRUSA-N 362.904 6.847 0 1 FKAF CC(C)Nc1nc(Nc2ccccc2)c2sc(-c3ccccc3)cc2n1 103263053 TVRITVMTOOGMIC-UHFFFAOYSA-N 360.486 5.922 0 1 FKAF COc1ccc(/C=C2\CCCc3c2nc(C)nc3-c2ccc(OC)cc2)cc1 103270100 RWJDMVMXFKAYDQ-XDJHFCHBSA-N 372.468 5.346 0 1 FKAF CCC(=O)C(CC[C@H](CC)CCCc1ccc2c(c1)OCO2)C(=O)CC 138202843 JCUPMALTSIPPIU-MRXNPFEDSA-N 360.494 5.119 0 1 FKAF Cc1ccc(O[C@H](C)c2nnc(Nc3ccc(Br)cc3)o2)cc1 169702783 MELHZLFWWQZYCN-GFCCVEGCSA-N 374.238 5.024 0 1 FKAF CC(C)c1cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(O)c(C(C)C)c1 586896848 RHXSFEKVSUJLIR-UHFFFAOYSA-N 356.397 5.020 0 1 FKAF C=Cc1nc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[nH]1 587096124 GZNRZWPCGSXOLK-UHFFFAOYSA-N 351.409 5.096 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587156698 XXYAOYJFAPDIQO-AWEZNQCLSA-N 370.371 5.844 0 1 FKAF CC1=Cc2nc3cccc4c3c(c2[C@H](c2ccccc2)C1)-c1ccccc1C4=O 587207466 LDQCCPFDEWGXJW-NRFANRHFSA-N 373.455 6.385 0 1 FKAF Cc1ccc(NC2(c3nc4ccc5nc(C)ccc5c4[nH]3)CCCC2)cc1 587237049 LSZFTHDRUGCPKV-UHFFFAOYSA-N 356.473 5.609 0 1 FKAF Nc1ccc2oc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)cc2c1 587252410 DTFHLOZAAFRDCT-UHFFFAOYSA-N 355.397 5.137 0 1 FKAF CC[C@]1([C@@H]2CC2(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354165 NHTXDYHPGIKKRH-XQBPLPMBSA-N 354.421 5.085 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](C)[C@@H]3C)c1 587366407 MBFTUQXTVZISDJ-GJZGRUSLSA-N 357.453 6.342 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccccc2Cl)N1 587692578 BIQUFESAVXFJJJ-BTDLBPIBSA-N 368.677 5.060 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(C)(C)C)CC2)N1 587818106 PWWYINDJRHYDGH-YXZFSOQLSA-N 368.334 5.554 0 1 FKAF CC[C@H](C)[C@@H]1CC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587820361 ZWIPDMYWUCHFGV-PZOITXESSA-N 354.307 5.164 0 1 FKAF CCOc1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1OCC 587922125 IAPOKGSHVBRALM-UHFFFAOYSA-N 361.413 5.553 0 1 FKAF N[C@H](N=O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587950212 QJRQIIPGNHMPLC-VZNHHXIYSA-N 370.412 5.249 0 1 FKAF Cc1ccc2oc(=O)c(-c3ccccc3OCc3cccc(F)c3)cc2c1 653757048 CAJALORJXATDKF-UHFFFAOYSA-N 360.384 5.487 0 1 FKAF O=C(Nc1nccc2cc(-c3c(Cl)cccc3Cl)ccc12)C1CC1 1772581297 YGORVQBWFLTOJJ-UHFFFAOYSA-N 357.240 5.557 0 1 FKAF CC(C)c1ccc(-c2ccc(NCC3CCCCC3)c(C(N)=O)c2)cc1 1857748217 JOZHQPMVFDOVRK-UHFFFAOYSA-N 350.506 5.568 0 1 FKAF CC[C@H](C)c1ccc(N(C)C(=N)N(C)c2ccc([C@H](C)CC)cc2)cc1 13780670 LHPVHVWOZRZKAI-HDICACEKSA-N 351.538 6.221 0 1 FKAF COc1ccc(OCCCCCCCc2c(C)nn(C)c2C)c(Cl)c1 27843993 RSSACAJQKSSJDB-UHFFFAOYSA-N 364.917 5.271 0 1 FKAF Clc1ccccc1[C@H](CC1CCCCC1)Nc1nc2ccccc2o1 28006129 IOGMSJDNGUNDTO-IBGZPJMESA-N 354.881 6.605 0 1 FKAF CN(C)CCCCCCNc1cc(-c2ccc(F)cc2)nc2ccccc12 28640905 RSISYCHJDBGOAW-UHFFFAOYSA-N 365.496 5.575 0 1 FKAF O=C(O)c1csc(-n2cc(Cc3ccccc3)c3ccc(Cl)cc32)n1 29044858 LIKLDHZWTFOMPS-UHFFFAOYSA-N 368.845 5.029 0 1 FKAF C[C@H](Nc1ncc(-c2ccc(OC(F)(F)F)cc2)n1C)c1ccccc1 29334047 XZPPWTFAJUAMSQ-ZDUSSCGKSA-N 361.367 5.159 0 1 FKAF CCC(=O)C(CCCCCCc1ccc(Cl)cc1Cl)C(=O)CC 32139024 JDWWRGPFQISFBE-UHFFFAOYSA-N 357.321 6.061 0 1 FKAF CC(C)Oc1ccccc1OCCNCc1cccc(-c2cccs2)c1 35259218 ZFRCVULPGRUJCI-UHFFFAOYSA-N 367.514 5.371 0 1 FKAF O=C(CCc1nnc(-c2ccc(F)cc2)o1)c1ccc(-c2ccccc2)cc1 43068401 JYXHBHFCRAMORK-UHFFFAOYSA-N 372.399 5.358 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1Cl)[C@@H](OC(C)(C)C)n1cnc(C)c1 45358549 MPJAQRAQTLCSOF-IAGOWNOFSA-N 371.308 5.590 0 1 FKAF Cc1nccc2c3ccc(OCCCc4ccccc4)cc3n(CC(C)C)c12 95597571 KUBYGCLMFIBSQS-UHFFFAOYSA-N 372.512 6.166 0 1 FKAF COc1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cn1 143414718 XONHAZVYOHESQX-UHFFFAOYSA-N 370.412 5.083 0 1 FKAF CC(C)CCC[C@H](C)CCC[C@@H](C)/C=C\CC/C=C\CCCC(=O)O 169636535 GAAXOKKROCNDSI-NAVPRTLXSA-N 350.587 7.403 0 1 FKAF Cc1nc(C)c([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)c(O)c1Cl 299808410 KAXKBGORPSMNKI-CTYIDZIISA-N 350.289 6.152 0 1 FKAF O=C(c1cc(-c2ccccc2)ccc1O)c1cc(-c2ccccc2)ccc1O 299839711 SRCMXUXPCHTCCG-UHFFFAOYSA-N 366.416 5.663 0 1 FKAF c1ccc(-c2ncc(-c3ccc(OCCCn4ccnc4)cc3)s2)cc1 473152109 GIVJEFBEUGNFPE-UHFFFAOYSA-N 361.470 5.143 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)cc1 586880640 PKXDIMBTBSEROZ-UHFFFAOYSA-N 364.807 5.892 0 1 FKAF CCc1ccc(-c2nc(-c3nc4c(C)cnc(Cl)c4[nH]3)cs2)cc1 587015892 WXZLSKWLKPOMEE-UHFFFAOYSA-N 354.866 5.273 0 1 FKAF Cc1cc(Br)c2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1 587026631 WDBHCKMJFBSHLL-UHFFFAOYSA-N 369.287 6.029 0 1 FKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C)c2[nH]1 587033842 BQVPARJOUZJHPG-INIZCTEOSA-N 363.486 5.357 0 1 FKAF Cc1cc(Br)cc2nc([C@H]3SCCc4sccc43)[nH]c12 587037413 VGALBMWEVNHDIU-AWEZNQCLSA-N 365.321 5.074 0 1 FKAF Cc1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2n1 587070903 IOLNZQADOUWPBU-UHFFFAOYSA-N 355.228 5.302 0 1 FKAF COc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587109287 GGUVKDDEHHKOMO-UHFFFAOYSA-N 374.284 5.200 0 1 FKAF Cc1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cc1Cl 587132537 CSUZDTRGHKABPQ-UHFFFAOYSA-N 357.599 5.202 0 1 FKAF Cc1cc(-c2nc3c(C)cccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587143900 CDGFLVZRYRGUBE-UHFFFAOYSA-N 360.388 5.351 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(C(C)=O)cc3[nH]2)c1 587159806 ZPBBHUYHJBZJKK-UHFFFAOYSA-N 374.415 5.171 0 1 FKAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 587168744 KWOPGSLMAZSLJK-QMMMGPOBSA-N 369.621 5.258 0 1 FKAF O=NCc1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 587190422 NTWFNOMCGOCUGO-UHFFFAOYSA-N 373.256 5.534 0 1 FKAF Cc1cccc(NC(=O)Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)c1C 587239865 ZAAXGQWIOOJVHC-UHFFFAOYSA-N 371.440 5.153 0 1 FKAF COc1ccc(-c2ccccc2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403569 OOPPQDXXFQKHRF-DEOSSOPVSA-N 373.452 5.133 0 1 FKAF CCC[C@H]1CC[C@H](C2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)CC1 587407859 LPBKGKUOWSOYEY-VMXWJKLDSA-N 369.549 6.078 0 1 FKAF CC[C@]1(CSc2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448723 MJHYSCPRHDXSFQ-OXQOHEQNSA-N 374.889 5.037 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c3ccc(Cl)cc3c1C)CC2=O 587463743 YHSJOOZZZQWTPC-IBGZPJMESA-N 369.848 5.494 0 1 FKAF CCCC[C@@H]1Cc2ccccc2[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 587481429 MABJZMACINNDLU-OSPHWJPCSA-N 364.485 5.568 0 1 FKAF CC(=O)n1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515994 QCOLMVLGXGKFLO-XMMPIXPASA-N 373.452 5.061 0 1 FKAF O=Cc1cccc([C@@]2(C3CCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527895 XSBHZEXXRFCEMF-VWLOTQADSA-N 374.480 5.429 0 1 FKAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 587528088 ZLLGPHITRMNQDJ-RUZDIDTESA-N 372.464 5.608 0 1 FKAF Cc1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587548007 OQYKMTVVPIREAK-NQIIRXRSSA-N 366.800 5.057 0 1 FKAF Cc1cccc(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815668 OMXUUGBYBZJZFV-DJJJIMSYSA-N 362.286 5.003 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](c3ccccc3)C2)N1 587819646 WFVVCRBXSQNXIR-AFBRZQFHSA-N 374.297 5.285 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)s2)N1 587845794 FUGBFYMWAOBLSB-ANRSDYALSA-N 374.706 5.101 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(OC)c(C)cc3[nH]2)cc1 587938727 ZHMOTOCMEDYPSV-QFIPXVFZSA-N 358.441 5.069 0 1 FKAF CCCC[C@@H]1CCCC[C@]12c1ccsc1CCN2Cc1cccn1C 962373960 KSDDQZGJPKGMBF-XMSQKQJNSA-N 356.579 5.721 0 1 FKAF CC(C)=CCC/C(C)=C/CNC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 1772575159 OUPDOQRGMATLEW-NTUHNPAUSA-N 365.304 5.897 0 1 FKAF COc1ccc(OC)c([C@H]2C=C(CC/C=C(\C)CCC=C(C)C)C(=O)O2)c1 1857639744 DSFBQZLUJOWXKV-IHSQGBLNSA-N 370.489 5.701 0 1 FKAF COc1ccc([C@@H](c2cc3ccccc3o2)c2c[nH]c3ccccc23)cc1 2382243786 SUATXLLIJOIACZ-XMMPIXPASA-N 353.421 6.103 0 1 FKAF CCCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2 4215169 GRVZGPLWLJJPKF-UHFFFAOYSA-N 354.519 5.224 0 1 FKAF c1ccc(C2=NO[C@@H](c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 5940238 FNJFABLHZKWMJK-HKJGYYKBSA-N 358.485 5.348 0 1 FKAF Cc1cccc(C)c1Nc1oc(-c2ccccc2)nc1-c1ccccc1F 8690124 REBGQECTSITMEB-UHFFFAOYSA-N 358.416 6.508 0 1 FKAF O=C(NC1CCCCC1)Oc1cccc(-c2cccc(-c3ccccc3)c2)c1 13583479 YOLAGKHOMMBDQW-UHFFFAOYSA-N 371.480 6.442 0 1 FKAF CN(CCCc1ccc2ccccc2c1)CCCc1ccc2ccccc2c1 13736027 UNTYIMKNHQYYOV-UHFFFAOYSA-N 367.536 6.490 0 1 FKAF CC[C@@]12C=C(/C=C/c3ccccc3)[C@@](CC)(C1)[C@@H](c1ccccc1)CC2=O 13783079 NLQQTNRSVHYIMW-HUXPZHJPSA-N 356.509 6.579 0 1 FKAF CC(C)c1ccc(NC(=O)NCC2(c3ccccc3)CCCCC2)cc1 13833481 PVOYZJQTHROZJE-UHFFFAOYSA-N 350.506 5.834 0 1 FKAF CCN(CC)c1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 13835093 CYLAHTXCAKAEOF-UHFFFAOYSA-N 356.897 5.169 0 1 FKAF O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncc(-c2ccccn2)o1 14979936 NPLDDPZWNXUZQF-UHFFFAOYSA-N 370.408 5.344 0 1 FKAF O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1ccc(Cl)cc1 26570396 RNSIEHCQSNGUMF-HNNXBMFYSA-N 368.839 5.140 0 1 FKAF CSc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 27712475 PYBSFQAXDAATMH-UHFFFAOYSA-N 360.457 6.272 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)OC(C)C 38146774 IZTAVISPABGUMJ-AIBIWWTJSA-N 361.570 6.877 0 1 FKAF Fc1cc(-c2nnc(COc3ccccc3Cl)o2)c(Cl)cc1Cl 40393308 AHTNQLJUNMNKRF-UHFFFAOYSA-N 373.598 5.415 0 1 FKAF Cc1ccccc1C(=O)N[C@@H](c1ccccc1)c1ccc2ccccc2c1 43022190 IJFADUOPHLKJQB-DEOSSOPVSA-N 351.449 5.668 0 1 FKAF c1ccc(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccco3)s2)cc1 82165631 ZKOQZPVMFYGJCI-UHFFFAOYSA-N 374.469 5.127 0 1 FKAF Cc1cnc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccccc2F)o1 82175187 GLLKEIBPACLBET-UGSOOPFHSA-N 366.440 5.237 0 1 FKAF CCCn1ccc2cc(-c3csc(NC(=O)c4ccco4)n3)ccc21 95755368 GAIRLQDYPNXPGG-UHFFFAOYSA-N 351.431 5.020 0 1 FKAF Cc1c(SCc2ccc(CCCC[18F])cc2)oc2ccccc2c1=O 102204445 FSZGSKABPZYZBS-KVTPGWOSSA-N 355.465 5.686 0 1 FKAF Cc1ccc2cc([C@H]3CC(c4cc(C)sc4C)=NN3)c(Cl)nc2c1 103212263 JXJFRSBQKIYLLC-GOSISDBHSA-N 355.894 5.314 0 1 FKAF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C/c1cccc(Cl)c1 140188147 ZAHXTIHTDSWLFD-CLFFOPILSA-N 374.952 5.485 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2cc(Br)c(F)c(F)c2[nH]1 586883199 ILAGYENWKTVDBX-UHFFFAOYSA-N 373.200 5.732 0 1 FKAF Cc1ccc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2n1 586981980 GPHRUGCPEONDMX-OAHLLOKOSA-N 372.310 5.401 0 1 FKAF CCOc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586992630 QTQOIRLCYCTSCS-UHFFFAOYSA-N 367.404 5.218 0 1 FKAF COc1ccc2nc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)sc2c1 587033998 BFBOHIXATRLHJN-UHFFFAOYSA-N 373.437 5.641 0 1 FKAF Cc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1C 587043439 ZMVMVVAHRGILLT-UHFFFAOYSA-N 356.516 5.237 0 1 FKAF Fc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1F 587050274 HDTPSDPXVNQCFN-UHFFFAOYSA-N 365.166 6.075 0 1 FKAF Clc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2nc1Cl 587053842 IZLBIVSBKXICJQ-PLNGDYQASA-N 359.043 5.742 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)cc3F)nc3cccc1c23 587103588 KXAJHYABMNXSGG-UHFFFAOYSA-N 359.787 5.906 0 1 FKAF Cc1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2n1 587111952 TYQIZARZPJHDPC-UHFFFAOYSA-N 373.300 5.089 0 1 FKAF Cc1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c1 587138248 DUWAMAAICROPMM-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(C)c(Cl)cc4[nH]3)c2)c1 587160052 DNSKBBBOUYVUQB-UHFFFAOYSA-N 366.823 6.006 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 587164518 SWBUMPJKIGVVAY-UHFFFAOYSA-N 364.232 5.799 0 1 FKAF CC/C=C/CC1=C(C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587207153 INEDAUHNVRDMCR-SNAWJCMRSA-N 351.449 6.132 0 1 FKAF CC[C@@H](C)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587365286 JAOHEKKPCCFBJQ-OAHLLOKOSA-N 359.469 6.554 0 1 FKAF COc1cccc(-c2cc(CCc3ccco3)nc3c2oc2ccccc23)c1 587366784 QPKALLATVIZDMP-UHFFFAOYSA-N 369.420 6.035 0 1 FKAF COc1cccc(-c2cc(C3CCOCC3)nc3c2oc2ccccc23)c1 587367766 ZYTMFRIPWSUGNH-UHFFFAOYSA-N 359.425 5.551 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccccc3Cl)o1)O2 587376979 FGWKDRNFSWASLN-NRFANRHFSA-N 367.832 5.371 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](Cc1ccc(Cl)c(Cl)c1)CC2=O 587462551 OVKMBBGLOFZYOS-GFCCVEGCSA-N 365.256 5.228 0 1 FKAF Cc1cc2c(cc1C)[C@@]1(CCS2)CC(=O)c2ccc3c(c2O1)CCCC3 587537298 CMCKDHZDNCGOBH-HSZRJFAPSA-N 364.510 5.539 0 1 FKAF Cc1cc(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587698859 JZRNHNPUYRYRGA-BMLIUANNSA-N 368.677 5.174 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(Cl)c2)N1 587717568 LHRSEWFSQFWAIK-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF CCCCC/C=C/C=C/[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587817453 CDFWRHRRMCJDLJ-LREOCJONSA-N 366.318 5.856 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](C3CCCC3)C2)N1 587819675 WMFCIKHMSPDABI-PEELUZDISA-N 366.318 5.308 0 1 FKAF Cc1cc(-n2nc3cc2Oc2ccc(F)cc2-3)c2ccc(Cl)cc2n1 587874136 QSEIANWTAPDGEH-UHFFFAOYSA-N 351.768 5.294 0 1 FKAF COc1cccc(C(=O)c2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)c1 587931376 IJMQLSQJFXERMM-UHFFFAOYSA-N 362.816 5.123 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587952606 UOCVTPKJOGLZQO-USBNGQNGSA-N 374.834 6.282 0 1 FKAF CSc1ccccc1[C@]1(C2CCC2)c2ccc(F)cc2C[C@H]2CCCN21 963115786 XOIORBCFCMWWNK-XXBNENTESA-N 367.533 5.612 0 1 FKAF CC1(C)C[C@@]2(NCCc3c(Cl)cc(Cl)cc32)c2ccc(F)cc2O1 963127090 YZKPXEWYZQXBQH-LJQANCHMSA-N 366.263 5.083 0 1 FKAF Cc1cc(Nc2cc(Cl)cc(-c3ccc(F)c(Cl)c3)c2)nc(N)n1 1772627549 XAELEICQAZFGRQ-UHFFFAOYSA-N 363.223 5.224 0 1 FKAF CC(C)=CCc1c(O)cc2c(c1C=Cc1ccccc1)C[C@@H](C(C)(C)O)O2 2356483228 FSSUIGNVZSBFPI-QHCPKHFHSA-N 364.485 5.146 0 1 FKAF CC(C)=CCCC1=CC[C@]2(CC1)C(=O)O[C@H]1C=C(C)CCC=C(C)CC[C@@H]12 2356563395 AJMWIYWHXKOBKT-SONWIMMPSA-N 368.561 6.838 0 1 FKAF CC(=O)O[C@@H]1C[C@@H]2C(C(C)C)=CC[C@]2(C)CC=C(C(=O)O)CCC=C1C 2356607081 PGLAOOCIGQLYBN-SJBKTWHCSA-N 360.494 5.058 0 1 FKAF CCCC1=Nc2cc(C(=O)N3CCCC3)ccc2Sc2ccc(C)cc21 4930355 KJKNLYCBZKQXDV-UHFFFAOYSA-N 364.514 5.617 0 3 FKAF COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(CC3CCCCC3)n2c1 95571552 GVSJMDFJCQBBQT-UHFFFAOYSA-N 366.436 5.050 0 3 FKAF Cc1nc(Nc2ccc(C(F)(F)F)cc2)c2c3c(sc2n1)CCCC3 756830 HZBYSQDUTIKLQK-UHFFFAOYSA-N 363.408 5.641 0 1 FKAF CCCCCc1cc2c(c(O)c1C(=O)OC)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 14722852 PZGQMCZVNQZFFP-IAGOWNOFSA-N 372.505 5.522 0 1 FKAF biogenic CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2ccccc2O1 27623021 WRCJYCLIIYNYBX-GQPWHOTPSA-N 366.589 7.970 0 1 FKAF c1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCCCC3)n2)cc1 28473346 SZFPZFXQPMRGDR-UHFFFAOYSA-N 354.457 5.282 0 1 FKAF CC[C@H](/C=C/c1ccccc1Br)c1ccc(OC)cc1OC 28567184 XWFYPARVTLRBEK-ATWMFIQVSA-N 361.279 5.673 0 1 FKAF Cc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(C)c(C(=O)O)c2c1 29325739 VXQSNOZZYHWVAD-UHFFFAOYSA-N 353.421 5.884 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820802 PBEOKCZYNAQOKE-QIZZZRFXSA-N 374.565 5.427 0 1 FKAF CCC[C@H]1CCC[C@]23CCN(CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 40461350 BJMDFPOKNMYMML-QODFHFCMSA-N 353.550 5.190 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OCCC1=C2C[C@H](C)CC1 59944793 DWKQOWNAPBCOCM-QGZVFWFLSA-N 356.550 6.996 0 1 FKAF CC(C)(C)OC(=O)n1cc(-c2cncn2C2CCCCC2)c2ccccc21 63539684 AWRNELHPKGTWCJ-UHFFFAOYSA-N 365.477 5.793 0 1 FKAF CC(C)[C@H](N)c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(F)c1 72118441 JHVZRSGMBRZHCH-KRWDZBQOSA-N 366.267 5.186 0 1 FKAF C[C@H](N)c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(Cl)c1 72118503 CZUOBHMSCDTJSJ-VIFPVBQESA-N 354.668 5.065 0 1 FKAF Fc1ccccc1Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12 72179004 AUJVONGVSBFKDQ-UHFFFAOYSA-N 357.599 5.388 0 1 FKAF COc1ccc(-c2csc(=Nc3cccc(SC)c3)[nH]2)cc1Cl 473087538 KMEXVZKQEDCWLU-UHFFFAOYSA-N 362.907 5.360 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 586881483 MNCRDQLFEDHKTI-UHFFFAOYSA-N 361.258 5.819 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 586883706 DCQSFBHFVGNEGS-ACJLOTCBSA-N 362.782 5.607 0 1 FKAF O=c1ccc2cc(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)ccc2o1 586918282 NOCNZMLOUXVRBR-UHFFFAOYSA-N 370.433 5.488 0 1 FKAF Cc1cc(Br)ccc1OCc1nc2ccc(Cl)c(C)c2[nH]1 586981117 KTFCXBGLGZMHTA-UHFFFAOYSA-N 365.658 5.175 0 1 FKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(F)c1 586994671 BNDDKKNXAXYWAD-UHFFFAOYSA-N 369.395 5.569 0 1 FKAF COc1ccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2c1 587004578 VDDJPFMJTNKVBH-UHFFFAOYSA-N 357.207 5.056 0 1 FKAF Cc1cc(C)c(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587100449 ABVIZSHBQBSEIP-UHFFFAOYSA-N 365.432 5.744 0 1 FKAF CCN(CC)[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587102962 BTZGADPCOWHIQJ-FQEVSTJZSA-N 356.469 5.165 0 1 FKAF Cc1c(Cl)ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 587157711 DZIJRHKYEMLHFF-UHFFFAOYSA-N 364.807 5.810 0 1 FKAF C1=CC(c2ccccc2)(c2ccccc2)Cc2c1nc1cccc3c1c2CC3 587214862 DZRJYDWMOUSIGV-UHFFFAOYSA-N 359.472 5.889 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc4ccccc4cc31)CC2=O 587480500 KZHABQLBOGTLIX-DEOSSOPVSA-N 358.437 5.305 0 1 FKAF O=C1C[C@@H](c2sccc2Br)Oc2c1ccc1c2CCCC1 587532300 PHFAOGXWVOXPCJ-HNNXBMFYSA-N 363.276 5.096 0 1 FKAF CC(C)c1ccc(C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601739 GVHBNEJVYVLKDB-FGZHOGPDSA-N 374.436 5.089 0 1 FKAF CCC[C@H](c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604764 YBXWVXCLCYFSHP-QATBIIFWSA-N 374.436 5.306 0 1 FKAF CC(C)(C)[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587605355 ZDPFNLRRISDXNP-YCRNBWNJSA-N 366.457 5.329 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(O)(C(F)(F)F)C(F)(F)F)c2c1 587643327 ZRFJFYKMABQPSM-QMMMGPOBSA-N 353.306 5.302 0 1 FKAF CCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810880 DLTKDNQPRNRLDA-DJJJIMSYSA-N 362.286 5.166 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2Cl)N1 587844339 NBDWRTBJONQSPI-AYVTZFPOSA-N 374.706 5.101 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2)c1 587931391 IKHFVRKCPFJVBG-UHFFFAOYSA-N 370.452 5.490 0 1 FKAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587936855 MJPYWTZZFYMXGF-QRQCRPRQSA-N 374.440 5.201 0 1 FKAF CC[C@@]1(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC(=O)c2ccccc2C1 587960410 LNWHGJQVSPQSQB-FQEVSTJZSA-N 372.390 5.350 0 1 FKAF O=C(O)c1ccc([C@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653793816 CGDOTKCBAFTQBQ-KRWDZBQOSA-N 368.864 5.627 0 1 FKAF FCCOc1ccccc1CCC1CCN(CCc2ccc(F)cc2)CC1 1857537064 YKASBLQXEZRSTG-UHFFFAOYSA-N 373.487 5.061 0 1 FKAF c1ccc(CC2CCN(C[C@@H]3CSC4(CCCCC4)S3)CC2)cc1 1911577597 NFYUFTSYYMYPCG-HXUWFJFHSA-N 361.620 5.450 0 1 FKAF CC1=C2C[C@@]34CC[C@H]5CCC[C@H](C=C[C@@H]3[N@]3CC36CCCC6)[C@@]4(C)[C@@]25CC1 2356352672 YEIBEVVNVXLGGP-JHKMERDLSA-N 363.589 6.256 0 1 FKAF CC1(C)[C@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H](C(=O)O)CC[C@]43C)[C@]2(C)CC[C@H]1O 2356395460 PTSOMORPIOAPGG-JRJCBNHGSA-N 362.554 5.117 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)CC(c2ccccc2)=NO1 12466402 XTVWJDISFLFTHS-HXUWFJFHSA-N 368.889 5.812 0 3 FKAF CC(C)n1cnc2c(NCc3ccccc3)cc(Cc3ccc(F)cc3)cc21 36389259 QHZFOSYOQIQCBA-UHFFFAOYSA-N 373.475 5.959 0 3 FKAF CCCCc1c(-c2ccccc2OC)ncn1CCc1ccccc1Cl 95565772 ZQOXCXHCXHICJA-UHFFFAOYSA-N 368.908 5.797 0 3 FKAF CC(C)[C@H](C)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)cc1F 776246 MQWXPQYPEVIVOS-NSHDSACASA-N 366.864 5.206 0 1 FKAF CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)OCc1ccccc1 13738025 UQEVMBUINPHPLI-UHFFFAOYSA-N 355.434 5.359 0 1 FKAF CN(C)CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1Cl 13814682 NHMOQCPWEXROOA-UHFFFAOYSA-N 369.317 5.035 0 1 FKAF CN1CCC2(CC1)S[C@@H](c1cccc(C(F)(F)F)c1)c1ccccc12 27871206 TVIOYOFJJFOHFS-SFHVURJKSA-N 363.448 5.463 0 1 FKAF Cc1ccc([C@H](CCn2ccnc2)Oc2ccc(Cl)cc2Cl)cc1 28457707 PLELFTRFMQYUIS-SFHVURJKSA-N 361.272 5.709 0 1 FKAF c1ccc2c(CCCCN3CCc4c([nH]c5ccccc45)C3)ccnc2c1 34602036 ZVHBEVLGJGQNKG-UHFFFAOYSA-N 355.485 5.097 0 1 FKAF CC(C)Oc1ccccc1OCCNCc1cccc(C2=CCCCC2)c1 35259212 DNILKHNIQCTYMS-UHFFFAOYSA-N 365.517 5.600 0 1 FKAF COc1ccc(-c2cnc3c(-c4ccnc5ccccc45)ccn3c2)cc1 40394892 YGMWMMIHWKXWMV-UHFFFAOYSA-N 351.409 5.225 0 1 FKAF c1ccc2c(CCN(CC3CCCCC3)CC3CCCCC3)c[nH]c2c1 71331745 YZOCXRCCRVUPNM-UHFFFAOYSA-N 352.566 6.173 0 1 FKAF CC1(C)C[C@@](CCNc2ccc(Cl)c(F)c2)(c2ccccc2)CCO1 72110351 GVDDFRANKHNVIL-NRFANRHFSA-N 361.888 5.808 0 1 FKAF CC1(C)[C@H]2CC[C@@H](CNc3cc(Oc4cccc5cccnc45)ncn3)[C@@H]1C2 82067385 ISRLNFDIDBSOMI-BZSNNMDCSA-N 374.488 5.301 0 1 FKAF COc1cccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)c1 96940155 DFPPRRGBMNCAAA-UHFFFAOYSA-N 356.421 5.752 0 1 FKAF Cc1ccc2c(c1)CCCN2C(=O)c1sc2cc(F)ccc2c1Cl 144742646 SSZFWTORMBIUCT-UHFFFAOYSA-N 359.853 5.595 0 1 FKAF COc1cc(Nc2ccnc3[nH]c4ccccc4c23)ccc1Br 169312525 XGALLOCAQCEKSU-UHFFFAOYSA-N 368.234 5.231 0 1 FKAF C/C=C(/C)C(=O)O[C@@H]1C/C=C(/C)CCCC(C)(C)[C@@H](OC(C)=O)/C=C/1C 169343062 DJZAMDRFIUQAJH-QGHYCYQMSA-N 362.510 5.289 0 1 FKAF CN(CCCN1c2ccccc2Sc2ccccc21)Cc1ccccc1 299820061 FIKKAIJRVLNWOS-UHFFFAOYSA-N 360.526 5.811 0 1 FKAF Cc1ccc(SCc2nc3ccc(OCc4ccccc4)cc3[nH]2)c(C)c1 586964960 PAACOXJSMYTUDR-UHFFFAOYSA-N 374.509 6.051 0 1 FKAF Cc1cc(Br)ccc1OCc1nc2cc(Cl)cc(C)c2[nH]1 586981589 QVSKHGRTKILMBJ-UHFFFAOYSA-N 365.658 5.175 0 1 FKAF Cc1ccc(-c2cc(-c3nc4cccc(C)c4[nH]3)c3cccc(Cl)c3n2)o1 587083235 KHPBNEWZGDWBKK-UHFFFAOYSA-N 373.843 6.308 0 1 FKAF Fc1ccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2c1Br 587088256 VFIRRWQTJFKFFT-UHFFFAOYSA-N 364.605 5.266 0 1 FKAF Cc1cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2cc1Br 587097529 KJRVJQBHEAVHOJ-UHFFFAOYSA-N 373.147 5.459 0 1 FKAF Cc1ccc2c3c(cc([C@H](C)CCCCC(=O)O)nc13)-c1ccccc1C2=O 587100355 HMHFVTDXAVCADU-CQSZACIVSA-N 373.452 5.503 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3cnc(Br)cc3[nH]2)cc1 587164301 PQDSMPNWDWXAOQ-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccccc1SCC3 587208362 REZOGJOGYLWRTA-UHFFFAOYSA-N 365.457 5.761 0 1 FKAF Cc1ccc(-c2ccc(OCc3cc4c5c(cccc5n3)CC4)cc2)cc1 587213389 ZLWFJALQTANDFC-UHFFFAOYSA-N 351.449 5.888 0 1 FKAF COc1cccc(-c2c(C3CCOCC3)cnc3c2oc2ccccc23)c1 587365150 CZWNAFPXISMARO-UHFFFAOYSA-N 359.425 5.551 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3cc(F)ccc3o1)CC2=O 587471142 JCEVVPWLSNVUCP-NRFANRHFSA-N 354.377 5.111 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC(C)C)c1)CC2=O 587481865 IKTXECUACDEXQC-JOCHJYFZSA-N 354.446 5.013 0 1 FKAF Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C2CCCCC2)n1 587516473 UCESKIMKRIHTBA-NRFANRHFSA-N 364.489 5.053 0 1 FKAF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccc(Cl)cc2)cc1 587629109 URRKYEIQEHNDQC-UHFFFAOYSA-N 370.254 7.256 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(F)F)c2)N1 587712585 BIDYVQDYUJWQMF-ABKXIKBNSA-N 370.212 5.149 0 1 FKAF CC1=C[C@H](C)C[C@H]([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C1 587824782 YNRDTOFTVNHBFK-NCSAXHRDSA-N 352.291 5.156 0 1 FKAF OCc1cnc2c(c1)c1ccccc1n2Cc1ccc(Cl)cc1Cl 653704609 MDLCHGSLJDUQDU-UHFFFAOYSA-N 357.240 5.037 0 1 FKAF COc1ccc2c(c1OC)C1(CCCCCCCCCCC1)N(C)[C@H](C)C2 962617313 CFPORWRAFMEMNA-LJQANCHMSA-N 373.581 6.080 0 1 FKAF Cc1cc(C)c2cc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)[nH]c2c1 1772593353 FOWMNNSUMIYLDC-SCUMNGBJSA-N 350.506 5.119 0 1 FKAF CC(C)(O)c1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1 1772621568 AFIDZNSWWDKSRR-UHFFFAOYSA-N 373.378 5.133 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@@]21C 2356494628 KGXLWYQCBAUILI-ICLYERATSA-N 372.549 5.491 0 1 FKAF C[C@@H]1CC=C[C@]2(CCC[C@@H]3[C@H](Cc4cc(O)cc(CCO)c4)CCC[C@H]32)C1 2356634413 HCZIZZTYUPOQQP-NHIPYZFOSA-N 368.561 5.658 0 1 FKAF CC(C)c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F 1910267 XOGABADGFOGOCV-UHFFFAOYSA-N 357.432 5.864 0 1 FKAF CC(C)c1ccc(O[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1 13604729 XTOWWXHIFFLTID-QGZVFWFLSA-N 353.245 5.192 0 1 FKAF CC(C)=CCC/C(C)=C/CCCCC[C@H](P(=O)(O)O)[P@](C)(=O)O 13742064 SGHSEOAKCTYRFU-SFKKXYGYSA-N 366.375 5.034 0 1 FKAF COC(=O)c1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCS3)cc1 13781195 HAPXDMSFBDESOL-FYWRMAATSA-N 352.499 5.807 0 1 FKAF O=C(CCCCCCCCCCc1ccccc1)Cc1cccc(O)c1 14504337 LCYNZRULCCYCOQ-UHFFFAOYSA-N 352.518 6.257 0 1 FKAF biogenic NCCS[C@](Cc1ccccc1)(c1ccccc1)c1ccccc1F 84653103 WITLBIJKJWFEOJ-JOCHJYFZSA-N 351.490 5.004 0 1 FKAF O=c1cc(N2CCCCC2)oc2c(-c3cc(-c4ccoc4)ccn3)cccc12 100077976 RAPORCIORBWPTG-UHFFFAOYSA-N 372.424 5.105 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccc(Cl)cc2)nn1 103193086 RJRZRZATNMXIPJ-UHFFFAOYSA-N 364.754 5.917 0 1 FKAF N#CN1[C@H](c2ccccc2)[C@H](c2ccccc2)C(=O)C[C@@H]1c1ccccc1 195097731 VYOXUVLGIYXMKA-GMKZXUHWSA-N 352.437 5.009 0 1 FKAF Cc1nc(NCCC2=CCCCC2)cc(-c2ccc3ncsc3c2)n1 205849595 AYNGCOOTVNNCRN-UHFFFAOYSA-N 350.491 5.364 0 1 FKAF CC(C)=C[C@@H]1C[C@@](C)(/C=C/c2ccc3cc[nH]c3c2)c2cc3cc[nH]c3cc21 208068148 STKFDMFOGFXEHA-BZTSCEAKSA-N 366.508 7.074 0 1 FKAF biogenic,in-vitro CCc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064434 KDLMSIXFOPVSLW-UHFFFAOYSA-N 352.821 5.618 0 1 FKAF FC(F)(F)Oc1cccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587085886 MIMZVXGISHIZMM-UHFFFAOYSA-N 363.726 5.330 0 1 FKAF Cc1ccnc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc12 587140573 CWUAWQBUGYVSCL-UHFFFAOYSA-N 367.424 5.504 0 1 FKAF C[C@]1([C@H]2C[C@H]3CC[C@H]2C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357478 UMTBLFHGFCGMSR-NQHNINOMSA-N 366.432 5.085 0 1 FKAF O=C1C[C@@H](c2cc(Cl)c(Cl)cc2O)Oc2c1ccc1c2CCCC1 587510420 YZHUQGWHHGCZDZ-SFHVURJKSA-N 363.240 5.284 0 1 FKAF CCCCCC[C@H](C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600848 CMQKSMUAOUKOBN-VQPPSCEASA-N 354.446 5.329 0 1 FKAF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c2ccccc12 587801284 FOIHZLOEEDJOAE-DGIBIBHMSA-N 373.269 5.002 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccccc3)[C@H]2C)N1 587822120 IROJHRWOYIBZPK-AWUHREGDSA-N 374.297 5.141 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2cc(Cl)cc(Br)c2[nH]1 587955334 NJYRMHDBPYTUJJ-UHFFFAOYSA-N 363.686 5.613 0 1 FKAF CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962693174 AFRHZRPNHNXLDF-ZPGKAZOCSA-N 359.554 5.231 0 1 FKAF O=C(Oc1ccc(Cl)cc1)c1c(-c2ccccc2)sc2c1CCCC2 1772590773 VAEMMBDQFZOCBI-UHFFFAOYSA-N 368.885 6.167 0 1 FKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1nc2cc(Cl)ccc2s1 1857632679 RSZKAOVKCBRYIB-UHFFFAOYSA-N 356.756 5.221 0 1 FKAF O=C(C[C@H](C(=O)c1cccs1)c1ccsc1)c1ccc(Cl)cc1 1636187 VXKMMDDKHOTWIT-HNNXBMFYSA-N 360.887 5.703 0 1 FKAF CC(C)(C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]32)C1 13408871 OLFAUBNLGRKABZ-ZTAGQOBPSA-N 360.538 5.037 0 1 FKAF biogenic O=C(O)C[C@@H]1CCC[C@H]2c3cc(F)ccc3N(Cc3ccc(Cl)cc3)[C@H]12 14951604 USFMJLOJQLMDAA-XXHMAFKTSA-N 373.855 5.226 0 1 FKAF in-vitro CCc1ccccc1NC(=O)N(C)Cc1nc(-c2ccccc2C)oc1C 21924599 JXRKRYWSJNPPHB-UHFFFAOYSA-N 363.461 5.185 0 1 FKAF CCCCCn1c(C)c(C(=O)Cc2cccc(Cl)c2)c2ccccc21 28462110 IVDPZBGEPKPWGK-UHFFFAOYSA-N 353.893 6.219 0 1 FKAF in-vivo c1ccc([C@H](N/C2=N/CCCCCCCCCCC2)c2cccs2)cc1 39200604 XZEHGVZIFWFDDJ-QHCPKHFHSA-N 368.590 6.740 0 1 FKAF CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1cccc(Cl)c1)N2 49020492 PXZJGWHGYKHETP-YYWHXJBOSA-N 355.909 6.272 0 1 FKAF Fc1cc(F)cc(CNc2cc(Oc3ccc4ccccc4c3)ncn2)c1 82068257 FDZKUGXCWKJQLR-UHFFFAOYSA-N 363.367 5.312 0 1 FKAF CC[C@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCC(C)C)ncnc21 82177865 OZCLRTAFRWADCG-AWEZNQCLSA-N 371.916 5.261 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)s2)cc1 95586924 PDYDEVVHZXJAQO-UHFFFAOYSA-N 360.434 5.866 0 1 FKAF in-vitro Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(C)ccc(C)c3[nH]2)cc1 586879344 OOTYRNCWGLZXBO-UHFFFAOYSA-N 356.425 5.520 0 1 FKAF CC[C@]1(C)C[C@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 586885805 AHFIBBWPMHYYIR-LHSJRXKWSA-N 367.424 5.136 0 1 FKAF Cc1ccc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1 586983007 SWEVCFWBVHFWFS-INIZCTEOSA-N 371.322 6.006 0 1 FKAF Cc1cccc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)c1F 586987248 CCDWQATZDAQCDK-UHFFFAOYSA-N 369.395 5.190 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(Cl)cc4N)nc13)-c1ccccc1C2=O 586993090 KNOWSMOKGBNJFY-UHFFFAOYSA-N 370.839 5.657 0 1 FKAF Cc1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cc1C 587030178 AMJIYERWYMWZET-UHFFFAOYSA-N 372.291 5.406 0 1 FKAF Fc1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587069009 CHGVSCPQTBHSBS-UHFFFAOYSA-N 352.796 5.601 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC[C@@H](C(C)C)C4)-c1ccccc1C2=O 587100873 PUSVQVTVLLMZMY-MRXNPFEDSA-N 355.481 5.906 0 1 FKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc3ccccc3cc2[nH]1 587162865 KFVCPTOHMGWLHE-UHFFFAOYSA-N 366.395 5.753 0 1 FKAF Cc1c([C@@H]2CCOC(C)(C)C2)nc2cccc3c2c1-c1ccccc1C3=O 587206474 LAPQHKJIEVQRMH-OAHLLOKOSA-N 357.453 5.427 0 1 FKAF CC1(C)CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587350431 HTKPQHSPDAASCO-UGKGYDQZSA-N 354.421 5.229 0 1 FKAF COc1cc2c3c(c1)O[C@H](C(C)(C)Sc1ccc(Cl)cc1)[C@@H](C2)C3=O 587448587 JWBQQCNDOUNOLM-KXBFYZLASA-N 374.889 5.036 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3)nc1)CC2=O 587483776 DOJHCKMHQNZPJY-QFIPXVFZSA-N 359.425 5.113 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(C)c(C(C)=O)c1C)CC2=O 587489541 PCUBLNZBLKHIKC-HXUWFJFHSA-N 366.457 5.179 0 1 FKAF C[C@]1(c2cc3cccc(F)c3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587503309 DVUBLWQOMHBRBD-JOCHJYFZSA-N 350.389 5.331 0 1 FKAF C[C@@H]1Cc2ccc(Cl)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587504579 WZVDFAREQOWKGW-MCMMXHMISA-N 352.861 5.272 0 1 FKAF O=C1C[C@H](c2cccc(-c3cccnc3)c2)Oc2c1ccc1c2CCCC1 587516795 ZVZAOBDUSBKCMW-HSZRJFAPSA-N 355.437 5.334 0 1 FKAF O=C1CC2(CCCCCCCCCCC2)Oc2c1ccc1c2CCCC1 587521460 CCMOMAKRXPIMNK-UHFFFAOYSA-N 354.534 6.574 0 1 FKAF O=C1C[C@@H](c2cccc(-c3cccs3)c2)Oc2c1ccc1c2CCCC1 587531511 LLXJROQHBXUOBY-NRFANRHFSA-N 360.478 6.000 0 1 FKAF Cc1ccc(SC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533322 SDMDJGIYWVGWTB-JOCHJYFZSA-N 352.499 5.390 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(C2CCC2)c1 587600225 AEXUVPLZJPETQO-QPPBQGQZSA-N 372.420 5.363 0 1 FKAF Cc1nc2c(Cl)cccc2c(Cl)c1Cc1c(C)[nH]c2cccc(F)c12 587633993 SGBOZMXWYSKROB-UHFFFAOYSA-N 373.258 6.370 0 1 FKAF CCCCc1ccccc1-n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863133 RPKHNCIFHLZAES-UHFFFAOYSA-N 374.406 5.909 0 1 FKAF Fc1cc2[nH]c(/C=C/c3cccc4ccccc34)nc2cc1C(F)(F)F 587966396 BVKJQJUVNHMZKK-CMDGGOBGSA-N 356.322 6.044 0 1 FKAF Fc1ccc2nccc([C@@H]3NCCc4cccc(-c5ccccc5)c43)c2c1 962662720 FXEXGYRBUZNBES-DEOSSOPVSA-N 354.428 5.276 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2OC)(C2CCCC2)N1 962942577 FWLOVRDAGHKZHS-IQGLISFBSA-N 374.528 5.535 0 1 FKAF Clc1ccc2nc(Nc3nc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 753988 KSAKHNJGVTXGMA-UHFFFAOYSA-N 371.831 5.570 0 1 FKAF Cc1ccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)cc1 13672196 RBVLORZGYJPWJV-UHFFFAOYSA-N 356.473 5.627 0 1 FKAF Cc1ccccc1NC(=O)Nc1nc(-c2ccccc2)nc2ccccc12 13808628 NCIFTLPMKFHFIK-UHFFFAOYSA-N 354.413 5.249 0 1 FKAF COC(=O)[C@H](CCC=C(C)C)CCC[C@@H](CCCc1ccoc1)C(=O)O 15194362 LKVBHTFLLORZRI-RTBURBONSA-N 364.482 5.009 0 1 FKAF biogenic C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC=C2c1cccnc1 26498514 UNJQRCXVHBZVTM-FCDSCVPGSA-N 351.534 5.479 0 1 FKAF CCc1cc(C)nc2c(NCCCCCCN(CC)CC)cc(OC)cc12 27657222 RNUVNHHWXYJCBS-UHFFFAOYSA-N 371.569 5.428 0 1 FKAF CCCCCSCC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28099602 AIXODEBHLBBHQA-IBKHCUKWSA-N 354.556 5.295 0 1 FKAF O=C(c1cccc(Cl)c1)N1CC[C@H]2C[C@@H]1c1cc(-c3ccccc3)ccc12 61942469 SKLOZBBNUGXGTN-FDDCHVKYSA-N 373.883 6.082 0 1 FKAF O[C@]1(C(F)(F)C(F)(F)F)CCCc2c1[nH]c1cc(Cl)c(Cl)cc21 64559715 QBSXZCAAQUKLIN-GFCCVEGCSA-N 374.136 5.196 0 1 FKAF CCC(CC)c1cc(C)n2nc(-c3cnc(N(C)C)cc3C)c(C)cc12 73142351 LGWUMHUYVUKXAC-UHFFFAOYSA-N 350.510 5.291 0 1 FKAF COc1ccc(Cl)cc1C(=S)Nc1cc(Cl)c(Cl)cc1O 84733259 RJKUNOKODRQSDR-UHFFFAOYSA-N 362.665 5.149 0 1 FKAF Fc1ccccc1[C@@H](Nc1nc2ccccc2s1)c1c[nH]c2ccccc12 95562233 ZYPYFTOLPZBPQT-OAQYLSRUSA-N 373.456 6.118 0 1 FKAF Cc1ccc(N(Cc2nc3ccccc3[nH]2)Cc2ccc(F)cc2F)cc1 96922636 DSXOZEISCHQKLX-UHFFFAOYSA-N 363.411 5.356 0 1 FKAF CCCCSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1 100705530 WAIDLKQPJRKYDW-UHFFFAOYSA-N 367.449 5.262 0 1 FKAF O=N[C@H]1CCc2cc(-c3[nH]c(-c4ccccc4)nc3-c3ccncc3)ccc21 169719100 XMKOUZLRNYKHIU-FQEVSTJZSA-N 366.424 5.559 0 1 FKAF CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(OC)CC[C@@]21C)C(C)C 238755721 NXGGSWGPPXFCIU-KPADQDMQSA-N 360.538 5.513 0 1 FKAF Oc1ccc(C(=C2CCC[C@@H](c3ccccc3)C2)c2ccc(O)cc2)cc1 584904939 VCHVPGQUQBYGKQ-OAQYLSRUSA-N 356.465 6.258 0 1 FKAF in-vitro CC[C@]1(C)C[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586888884 JYHPMXJCBYZXHA-FUXBKTLASA-N 363.177 5.128 0 1 FKAF Cc1cc2nc(CCc3cc4ccccc4o3)[nH]c2cc1Br 586904507 VVGAKDVSBDORFN-UHFFFAOYSA-N 355.235 5.165 0 1 FKAF CSc1ccc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2c1 587011935 ONAZHBHQONFODC-UHFFFAOYSA-N 351.500 5.308 0 1 FKAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Br)cc(C)c2[nH]1 587027337 BUZLOIKUOFLFKF-UHFFFAOYSA-N 373.279 5.061 0 1 FKAF FC(F)(F)Sc1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587036528 DTWMLAWFDCCEEW-ZDUSSCGKSA-N 372.462 5.615 0 1 FKAF FC(F)(F)Sc1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 587043143 PFTXFQNYMDWATN-CQSZACIVSA-N 352.406 5.564 0 1 FKAF Cc1cc(F)c2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 587152170 XBGUHSSHHLKOSI-HXUWFJFHSA-N 368.358 5.457 0 1 FKAF Cc1cc(C)c2[nH]c(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c1 587163788 SYYGJZNFDOUTOF-UHFFFAOYSA-N 359.404 5.238 0 1 FKAF COC(=O)c1ccc(-c2ccccc2-c2cc3c4c(cccc4n2)CC3)cc1 587212724 CGEKIFQKXIGONS-UHFFFAOYSA-N 365.432 5.454 0 1 FKAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)C1CCCC1 587226848 VDYMKTYNZHROLQ-MRXNPFEDSA-N 372.513 5.011 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H](C3CC3)C2)[C@H]1c1ccc(F)cc1 587349579 GGOHYOJSIHHOQR-YROCYRMSSA-N 366.432 5.229 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)(C)C)[nH]c3c(C)cccc13)O2 587395978 HRCUNROFCOYXQM-SFHVURJKSA-N 362.473 5.371 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1OCc1ccccc1)O2 587401840 YZNCQILAEIZALQ-XMMPIXPASA-N 373.452 5.037 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(C(C)C)c1)CC2=O 587475599 BBYJIIFCJOLUPJ-NRFANRHFSA-N 354.446 5.183 0 1 FKAF O=C1C[C@H](c2cc(Cl)c(F)c(Cl)c2)Oc2c1ccc1c2CCCC1 587505279 MDIQBVDTTDYQDB-QGZVFWFLSA-N 365.231 5.718 0 1 FKAF COc1ccccc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510509 AQYNWCZWLIFGBH-HSZRJFAPSA-N 373.452 5.071 0 1 FKAF Cc1sc2ccccc2c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587536140 RZFANWZGSMTULB-HSZRJFAPSA-N 362.494 5.969 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587565166 ZLCHHSPIBFAKPD-UHFFFAOYSA-N 366.358 5.386 0 1 FKAF CCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587811006 FPPVLXWENITMFY-BFUOFWGJSA-N 362.286 5.166 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)cc1 587930659 FLALJXDNEUEUOO-UHFFFAOYSA-N 356.469 6.203 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587952148 ZFLBLBYBAFDDAN-LBPRGKRZSA-N 372.346 5.755 0 1 FKAF CN1CC[C@]2(C[C@@H]1c1ccccc1)NCCc1cccc(-c3ccccc3)c12 962668783 XYTBJLSXMLSWHY-AOYPEHQESA-N 368.524 5.162 0 1 FKAF Cc1ccn2c(NCCCCc3ccccc3)c(-c3cccs3)nc2c1 1772577982 UIBGSAYWUPWTLS-UHFFFAOYSA-N 361.514 5.806 0 1 FKAF COc1ccc(-c2cccc(C)c2)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772644036 WHRPRCCSBIXZPQ-GOSISDBHSA-N 367.470 5.042 0 1 FKAF CCCCCc1ccc(CCc2ccc(CN3CCC[C@@H]3CO)cc2)cc1 2382243760 JHTRBXIIECCGRN-RUZDIDTESA-N 365.561 5.161 0 1 FKAF CC[C@H]1c2[nH]c3ccc(C(C)C)cc3c2[C@@H]2CCN3C(=O)CCC[C@H]1[C@H]23 36383113 KFICJRIMHRFJFI-JGDUNROCSA-N 350.506 5.283 0 3 FKAF CC(C)(C)NC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC4=O 36387884 NEOONGYNIJYGRY-MSIGQRHRSA-N 373.581 5.273 0 3 FKAF CCCCc1c(-c2ccccc2OC)ncn1[C@H](C)c1ccc(Cl)cc1 169304208 XXBMWDKNXKHRIS-MRXNPFEDSA-N 368.908 6.164 0 3 FKAF Clc1ccc(C2=CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1 13728589 VDPNPEDMQPLESI-UHFFFAOYSA-N 364.920 5.933 0 1 FKAF CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 34873560 ZUKHCFDOVYFUHP-FQEVSTJZSA-N 367.452 5.178 0 1 FKAF Oc1cc(Cl)ccc1Oc1ccccc1CNCCc1ccccc1 36286626 ACSSQQYLSAYFIF-UHFFFAOYSA-N 353.849 5.170 0 1 FKAF in-vivo CN1Cc2c(NC(=O)OCc3ccccc3)cccc2[C@@H](c2ccccc2)C1 40641537 YCXQGXRGCFDGSF-OAQYLSRUSA-N 372.468 5.013 0 1 FKAF CCCn1c(C)c(C(=O)c2cccc3ccc(CC)cc23)c2ccccc21 43072847 LDVRETBVOKFPCD-UHFFFAOYSA-N 355.481 6.306 0 1 FKAF O=C(Cc1cccc(Oc2ccc(Cl)cc2)c1)Nc1cccc(Cl)c1 73219176 UPKHNEQYUCFSTE-UHFFFAOYSA-N 372.251 5.967 0 1 FKAF O=C(Nc1ccccc1)Oc1ccccc1[C@H]1CC(=O)c2ccccc2O1 98082360 VNQPBONHYBMYHA-OAQYLSRUSA-N 359.381 5.004 0 1 FKAF Clc1cccc2[n+]1[C@@H]1CC(c3ccoc3)(c3ccoc3)[C@@H]2c2ccccc21 100722202 RLTTTWDHHVWAAZ-IFMALSPDSA-N 374.847 5.238 0 1 FKAF Cc1ccc2cc([C@H]3CC(c4sccc4Cl)=NN3)c(Cl)nc2c1 103212270 YXLWPRMAXINOTF-CQSZACIVSA-N 362.285 5.350 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccco3)CCC[C@@]21C 169343668 WYFSRQPOULZEOF-XRYLAESTSA-N 360.538 6.484 0 1 FKAF Cc1cc([C@@H](C[C@H](c2ccc(C(=O)O)cc2)c2ccccc2C)N=O)ccn1 169730218 GMZJHGZSQIVJEK-FGZHOGPDSA-N 374.440 5.426 0 1 FKAF CC(=O)OC/C=C(\C)CC[C@H]1C(C(=O)O)=CC[C@H]2C(C)(C)CCC[C@@]21C 238753584 QCCOWTLREYYOFG-IDPTZNNUSA-N 362.510 5.140 0 1 FKAF c1ccc(Oc2ccc(-c3noc(-c4ccc5[nH]ccc5c4)n3)cc2)cc1 299862328 JMBSKDLCXYZNMZ-UHFFFAOYSA-N 353.381 5.677 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(Cl)c(Cl)cc2[nH]1 586880038 XJHSGSHIAXKJGC-UHFFFAOYSA-N 353.252 6.512 0 1 FKAF COc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587095154 QVPNZYJAPVJGAX-UHFFFAOYSA-N 360.257 5.276 0 1 FKAF Cc1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1C 587122429 MARSVRHRWKELFC-UHFFFAOYSA-N 366.408 5.512 0 1 FKAF Cc1cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2cc1Cl 587166279 WLATZCCZNGLGBN-UHFFFAOYSA-N 353.828 5.645 0 1 FKAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587168414 IFAMWJBNLMCBNF-MRVPVSSYSA-N 358.722 5.514 0 1 FKAF CC1(C)[C@H]2CC[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]1C2 587352183 LZJFIFNPGCMBNG-XAICUERPSA-N 366.432 5.085 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCNc3cc4ccccc4cc31)CC2=O 587480621 FBYUXRMRBMEURV-XMMPIXPASA-N 373.452 5.174 0 1 FKAF CC(C)CCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587520573 FOBRTYMUDNXEDV-QHCPKHFHSA-N 364.485 5.697 0 1 FKAF Cc1oc2ccc(O)cc2c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587532313 KZKMQTUKGBUAEF-QHCPKHFHSA-N 362.425 5.206 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3ccc(Br)cc3[nH]2)cc1 587564707 OXMPYESUPRCDSY-UHFFFAOYSA-N 373.294 5.592 0 1 FKAF CCCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587613855 QTVNAXNDUAKBTM-RXVVDRJESA-N 366.438 5.109 0 1 FKAF O=C(O)c1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccccn2)cc1 587632605 LNRUYBHBGJWNLA-UHFFFAOYSA-N 366.779 5.388 0 1 FKAF CCOc1ccc(OCC)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587778099 JCJMGDIRTAVFFS-UHFFFAOYSA-N 351.233 5.334 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587951899 JOUXXVZLMOEVTH-UVWXRNBGSA-N 358.379 5.767 0 1 FKAF Clc1nc2ccccc2cc1[C@@H](OCc1ccccc1)c1cccs1 1857594693 OATMKOLMJXDPQQ-HXUWFJFHSA-N 365.885 6.256 0 1 FKAF CC1=C(O)[C@@](C)(CCCCC[C@@H](C)CCCCc2ccc(O)cc2)OC1=O 2356307309 RMZWDKIGRKKONG-UZUQRXQVSA-N 374.521 5.839 0 1 FKAF COc1ccccc1-c1cc2c(Nc3ccc(C(C)C)cc3)nccc2[nH]1 74387138 YKEGEFRQXXKDTP-UHFFFAOYSA-N 357.457 6.106 0 3 FKAF CCC[C@H](C)n1c(CC)nc2c(-c3ccc([C@H](C)O)cc3Cl)ccnc21 13479623 JXYKNBFFDJBIFG-KBPBESRZSA-N 371.912 5.729 0 1 FKAF Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)cc1C 13781361 XJCCLARMCWMAHX-UHFFFAOYSA-N 353.425 5.166 0 1 FKAF O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@@H](c2ccoc2)N1Cc1ccccc1 13830278 KSYOIXDDZBOZLY-JLLPCOHGSA-N 369.464 5.339 0 1 FKAF CC[C@H](C)C(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2ccoc12 15122203 JAUBTGXMJPQEII-LBPRGKRZSA-N 362.381 5.141 0 1 FKAF biogenic CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc3ccccc3cc2C1=O 26578836 VECYZZLOYIXKAU-UHFFFAOYSA-N 357.453 5.887 0 1 FKAF CC(C)(C)c1ccc(NC(=O)c2c(O)c(Cl)cc(Cl)c2Cl)cc1 28863420 ADAHCSWSKHWVKE-UHFFFAOYSA-N 372.679 5.902 0 1 FKAF Cc1cccc(NC(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)c1 28972651 CNFVTGOGEPWRJO-UHFFFAOYSA-N 361.319 5.406 0 1 FKAF COc1cccc2c1-c1ccc3c(c1[C@H]([C@H]1C=CCC1)O2)C(C)=CC(C)(C)N3 29409618 BDZQBRNZPXXVRN-FYSMJZIKSA-N 373.496 6.369 0 1 FKAF CC(C)(C)c1cccc2c(C(=O)O)c(O)c(Cc3ccc(Cl)cc3)nc12 34524668 QCYIJGZFRZHEOD-UHFFFAOYSA-N 369.848 5.180 0 1 FKAF CCC(=O)c1ccc2c(c1)/C(=C\[C@@H](C)CN(C)C)c1ccccc1S2 40511651 JFOBSYHELCDDBZ-PWDRBQJJSA-N 351.515 5.373 0 1 FKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 84653313 VKNPNFFVRYOJAD-IBGZPJMESA-N 368.889 5.581 0 1 FKAF CC(C)(C)c1cccc(-n2cnc(-c3ccccc3Nc3ccncc3)n2)c1 87722379 SUKPCDABGIUDMV-UHFFFAOYSA-N 369.472 5.370 0 1 FKAF CC1=CCCC(C)(C)[C@@H]1Cc1c(O)cc(/C=C\c2ccc(O)cc2)cc1O 95919297 PFXULLDGLDNOOD-IZRJCCQOSA-N 364.485 5.899 0 1 FKAF biogenic,in-vitro c1cc([C@H]2CC[C@@H](N3CCCC3)CC2)ccc1OCCCN1CCCCC1 101437347 IIGOTHGDDVVXRO-AFARHQOCSA-N 370.581 5.063 0 1 FKAF COC(=O)NCCCCN1c2ccccc2Sc2ccc(Cl)cc21 136679010 ONUJYTVPNAOFDK-UHFFFAOYSA-N 362.882 5.079 0 1 FKAF CC[C@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169359280 DAXMFHJYAYLAJM-OVHGPYEESA-N 373.581 5.081 0 1 FKAF CCCC(=O)Sc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1 209737505 NFDUFLJCZCXASW-LEWJYISDSA-N 351.515 5.388 0 1 FKAF COCC[C@H](C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)OC)[C@H]2CC[C@H]1C 238737662 LRXQVKNEISJCOG-AJYQEWAOSA-N 350.543 5.391 0 1 FKAF CCCC/C=C/[C@H](O)CCCCCCc1cc(=O)c2ccccc2n1C 238786272 DWNMEVXONKHWAM-PCLFDXGNSA-N 355.522 5.139 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2)cc1 586899187 XTQCIPKKRXBCSC-UHFFFAOYSA-N 370.330 5.501 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586962033 AOHSGQCYZYPGBK-MRXNPFEDSA-N 372.493 5.788 0 1 FKAF Fc1c(Br)ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587026671 WPCOUKAPJPDNJL-UHFFFAOYSA-N 373.250 5.860 0 1 FKAF COc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1C 587094617 FEPUMKAGUYVPAO-UHFFFAOYSA-N 374.284 5.585 0 1 FKAF Cc1ccc2c3c(cc(-c4nc5ccccc5o4)nc13)-c1ccccc1C2=O 587096367 IRHGUXZAUZIYIG-UHFFFAOYSA-N 362.388 5.563 0 1 FKAF C[C@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccccc1C(F)(F)F 587098038 PDEKULHQAYKEOM-QMMMGPOBSA-N 359.178 6.040 0 1 FKAF Cc1ccc2c3c(cc([C@@H](C)C4CCCCC4)nc13)-c1ccccc1C2=O 587099638 QGKXLDRJTMRKRM-INIZCTEOSA-N 355.481 6.438 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(F)ccc1CCC3 587104988 YOAWNUNFOMFBFP-UHFFFAOYSA-N 365.407 5.741 0 1 FKAF O=C1c2ccccc2-c2c(Cc3ccc4cnccc4c3)cnc3cccc1c23 587108045 XQUPWNGUIAXGIP-UHFFFAOYSA-N 372.427 5.585 0 1 FKAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587111793 BBGMLQKYEQXXPT-LBPRGKRZSA-N 374.193 5.131 0 1 FKAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587233203 KQJLKKKMTLMGEV-GJZGRUSLSA-N 357.498 5.021 0 1 FKAF COc1cccc(-c2cc(C[C@@H]3CCOC3)nc3c2oc2ccccc23)c1 587367629 WRKVSZCECLSQGB-HNNXBMFYSA-N 359.425 5.236 0 1 FKAF COc1ccccc1C(=O)c1c(C(F)(F)F)[nH]c2c(C)cc(Cl)cc12 587624521 NZPXMWALBWETCF-UHFFFAOYSA-N 367.754 5.388 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(F)=C(F)F)N1 587707425 VPKVXRJFFDPDSI-VXJOIVPMSA-N 366.196 5.195 0 1 FKAF Cc1cc(C)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 587783727 FVEVZAKNTVVACX-JLHYYAGUSA-N 354.453 5.929 0 1 FKAF Cc1cc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2[nH]1 587803308 OUUKYGXBSLSLNZ-GIGQVBGESA-N 373.269 5.002 0 1 FKAF Cc1ccc2c(c1)[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587818394 RIIYOQSIYZVLSQ-XCLFUZPHSA-N 374.297 5.011 0 1 FKAF Cc1ccc(-c2csc(-c3cccc(Oc4ccccc4)c3)n2)cc1C 587921329 UQFKFIPOLVJWPY-UHFFFAOYSA-N 357.478 6.886 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587951091 IYPHNTAWZKOPIU-JTQLQIEISA-N 358.228 5.558 0 1 FKAF CC(=O)c1ccc([C@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653793978 UMJURPMKEPWRDL-IBGZPJMESA-N 366.892 6.131 0 1 FKAF c1ccc(-c2cccc3c2[C@@]2(C[C@@H]4CCCc5cccc2c54)NCC3)cc1 962674553 YAPCYBSONCKSNL-LVXARBLLSA-N 351.493 5.567 0 1 FKAF C[C@@H]1CC=C[C@](C)([C@H]2C[C@H](Cc3cccc(O)c3)CC3(CCCC3)C2)C1 2356477101 OUOWUEBTLCCJKL-LTYHASHMSA-N 352.562 6.904 0 1 FKAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OCC)[C@@]2(C)[C@H]1C 2356493368 QVCCBGBILDRMPT-FKBBIYLCSA-N 360.494 5.152 0 1 FKAF Cc1ccc(-c2nc3ccc(Cl)cn3c2Cc2cccc(Cl)c2)cc1 72135039 WJCOONFYAPBCSI-UHFFFAOYSA-N 367.279 6.207 0 3 FKAF FC(F)(F)c1cccc(Nc2cc3[nH]c(-c4ccccc4)cc3cn2)c1 74373057 FHZPYHFOJKVYIM-UHFFFAOYSA-N 353.347 5.992 0 3 FKAF Clc1cccc(-c2nc3c4ccccc4ccn3c2Cc2ccccc2)c1 95571098 HYZXRCQDVUODPS-UHFFFAOYSA-N 368.867 6.399 0 3 FKAF CC(C)=CCc1c(O)c(C=O)cc2c1[nH]c1c3c(ccc12)C=CC(C)(C)O3 13399305 BFZWGDLTPUCZFH-UHFFFAOYSA-N 361.441 5.532 0 1 FKAF biogenic CCOC(=O)c1c(N)sc(-c2ccccc2)c1-c1ccc(Cl)cc1 13518290 WCPPWTZXYXGTLF-UHFFFAOYSA-N 357.862 5.494 0 1 FKAF C=C(c1ccc(C(=O)O)s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 13743084 RXVCVOBCGBBMCP-UHFFFAOYSA-N 354.515 6.165 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)NCC(C)C 13797953 FZOGFFNFVAADJW-GKFVBPDJSA-N 374.613 6.697 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)NCCO 13797959 UTJXDMXYAUJWRW-DOFZRALJSA-N 362.558 5.034 0 1 FKAF C[C@]12CCc3c(ccc4cc(OC(=O)c5ccccc5)ccc34)[C@H]1CCC2=O 14451024 VVFAWJYXSMMTEE-RDGATRHJSA-N 370.448 5.458 0 1 FKAF biogenic CC(=C/CN1CCOCC1)/C=C/C=C(C)/C=C/[C@H]1[C@@H](C)CCCC1(C)C 25986203 JGEUGBGGYLQOTH-VXIYDQLQSA-N 357.582 5.786 0 1 FKAF Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)C1CCCCC1 27074862 PUARDLGYXDKAIC-UHFFFAOYSA-N 370.537 5.813 0 1 FKAF CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccnc1 36294634 MPQYTRCOFXNOTB-UHFFFAOYSA-N 368.480 6.125 0 1 FKAF in-vivo O=C(C[C@@H](SC(=S)N1CCCCC1)c1ccccc1)c1ccccc1 38267446 VQSNAROJLAMYOE-HXUWFJFHSA-N 369.555 5.505 0 1 FKAF CCOc1ccc(-c2nn3c(C)cc(C(CC)CC)c3cc2C)c(CC)c1 73165320 GHNNMYNCOJSMTB-UHFFFAOYSA-N 364.533 6.483 0 1 FKAF O=C(Nc1ccc(C(=O)c2ccccc2)cc1)NC12CC3CC(CC(C3)C1)C2 84759469 HEOFHXRMHLNVDA-UHFFFAOYSA-N 374.484 5.008 0 1 FKAF CC(C)Nc1cc(Cl)cc2c1[nH]c1cnc(NCc3ccccc3)cc12 95552669 KJZKHXKANOCIIW-UHFFFAOYSA-N 364.880 5.802 0 1 FKAF CC(C)CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO 135958467 QLPOUVVOBQMRGC-OAQYLSRUSA-N 372.590 5.390 0 1 FKAF CCOc1ncnc(C)c1-c1ccc(Oc2nccc3occc23)cc1C 149534488 FXASDENXAAMBPO-UHFFFAOYSA-N 361.401 5.093 0 1 FKAF COc1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccc(C)cc2)c1 218322381 OYRBPRHHJZDZPM-QHCPKHFHSA-N 370.452 5.521 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3O)nc(-c3ccccc3O)c2)cc1 299828325 IZMFBWWLZFZMQD-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF OCC12CCC(c3nc4ccc(Sc5ccccc5)cc4[nH]3)(CC1)CC2 586897802 DUMQMEJCBUSXOW-UHFFFAOYSA-N 364.514 5.298 0 1 FKAF Cc1ccc(F)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 586994664 BCXQYWTVYNNDBQ-UHFFFAOYSA-N 353.396 5.869 0 1 FKAF COc1cc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2cc1Cl 587010690 ABOGGOUIAAAJRB-UHFFFAOYSA-N 369.877 5.248 0 1 FKAF Cc1nn(-c2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)c(C)c1Cl 587064470 BLGCJQLRWMCMBF-UHFFFAOYSA-N 373.847 5.234 0 1 FKAF Clc1cccc(-n2nc(-c3nc4ccccc4[nH]3)cc2-c2ccco2)c1 587068318 QGINJOIMYBVRSV-UHFFFAOYSA-N 360.804 5.329 0 1 FKAF CC(C)Oc1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587077433 XRRWMZWSXZGENH-UHFFFAOYSA-N 363.848 5.733 0 1 FKAF Cc1ccc(-c2cc(-c3nc4c(C)ccnc4[nH]3)c3cccc(Cl)c3n2)o1 587083280 LVLIHJHQDMTXCK-UHFFFAOYSA-N 374.831 5.703 0 1 FKAF FC(F)(c1ccccn1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587090116 LWEYCASIKHDVQT-UHFFFAOYSA-N 353.397 5.249 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCCCCCCCC4)-c1ccccc1C2=O 587100055 DZZZAVJTLQTNEI-UHFFFAOYSA-N 369.508 6.584 0 1 FKAF COc1cc(F)c2c(c1)Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587102903 BANQMZPPEIROAJ-UHFFFAOYSA-N 367.379 5.165 0 1 FKAF Cc1cccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c12 587129884 NFGGZLPNRVSAFZ-SSDOTTSWSA-N 360.742 5.206 0 1 FKAF Cc1c(F)cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1F 587133424 WKNIFPPVAWYXFG-UHFFFAOYSA-N 357.585 5.232 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587153619 VJJWJXQUSKMHRZ-UHFFFAOYSA-N 357.310 5.450 0 1 FKAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(Cl)cc3[nH]2)c1 587158733 GSIDADRMTZIVOV-UHFFFAOYSA-N 362.795 5.361 0 1 FKAF Cc1cc(Cl)cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 587163736 SASKGGYHGLENED-UHFFFAOYSA-N 364.807 5.562 0 1 FKAF Cc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cc1Cl 587201893 YJNSITXWIBMSJG-UHFFFAOYSA-N 365.905 5.106 0 1 FKAF CCCC[C@@]1([C@@H]2CCOC(C)(C)C2)CC(=O)c2ccc(O)c(CCC)c2O1 587485500 WBCPNMVBQPMYGS-MWTRTKDXSA-N 374.521 5.444 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3csc(SC)c31)CC2=O 587495371 QPKGBZTVEXVFCY-HXUWFJFHSA-N 374.527 5.325 0 1 FKAF O=C1C[C@]2(CCSc3c(F)cccc32)Oc2c1ccc1c2CCCC1 587501870 AKKZHXASPFSXNW-NRFANRHFSA-N 354.446 5.061 0 1 FKAF CC[C@@]1(c2cc(F)c(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587507644 RQEHBLJDKAYSHZ-NRFANRHFSA-N 360.375 5.253 0 1 FKAF CCCC[C@H]1Cc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587528148 YMDQSGADDCUGKA-DFBJGRDBSA-N 360.497 5.789 0 1 FKAF C[C@]1(c2ccc(-c3cccs3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587530267 DMSSKXPCJUWQQE-XMMPIXPASA-N 374.505 6.175 0 1 FKAF CC(C)(C)[C@]1(c2cc3ccccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587532755 NSRSFZVXKILMHO-RUZDIDTESA-N 374.480 6.218 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc2ccccc12 587616359 CDAJRYHFWRJRHK-KNQAVFIVSA-N 374.417 5.310 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(SC)cc3[nH]2)c1 587779892 IVXBJCLQLRGGDM-UHFFFAOYSA-N 360.482 6.018 0 1 FKAF CC[C@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814884 WNAODQYZZFOTMJ-BFUOFWGJSA-N 362.286 5.084 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C)(C)[C@H]1CC[C@]2(C)C1 587829687 SEQOBEOBZDGNJR-KRGWDZPISA-N 366.318 5.164 0 1 FKAF Fc1ccc(F)c(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)c1 587921750 WUJPAYQSXGSMLD-UHFFFAOYSA-N 355.331 5.698 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(OC)c(Cl)cc4[nH]3)c2)cc1 587936591 VJPVWGYGDMSLMX-UHFFFAOYSA-N 364.832 5.568 0 1 FKAF Fc1cccc([C@]2(c3cc(F)cc(F)c3)NCCc3cccc(Cl)c32)c1 963391645 WAWVTPWFKARWLZ-OAQYLSRUSA-N 373.805 5.195 0 1 FKAF Clc1ccc(-c2nnc(-c3c[nH]c4c3Cc3ccccc3-4)o2)cc1Cl 1772576294 GSOMQSRQLBXIAX-UHFFFAOYSA-N 368.223 5.610 0 1 FKAF CC(C)=CCCC(=CCCC(C)=CCc1cc(O)ccc1C(=O)O)C(=O)O 2356517162 ZIBPKEYCKPFKCN-UHFFFAOYSA-N 372.461 5.117 0 1 FKAF CCC(=O)O[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@]4(O)CC)[C@H]2CC1 2356646046 ODOMHABFTBNARE-ONRUYEJHSA-N 360.538 5.022 0 1 FKAF CC1=CSC2=NC(/C=C/c3ccc(C)cc3)=C[C@@H](c3ccc(C)cc3)N12 2382254687 SHOOADDFKPDHNC-FLSMSTFGSA-N 358.510 6.222 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)CC(c2ccccc2)=NO1 12466408 XTVWJDISFLFTHS-FQEVSTJZSA-N 368.889 5.812 0 3 FKAF CC(C)=CCc1c2c(cc3c1O[C@H](c1ccccc1)CC3=O)C=CC(C)(C)O2 13460393 VBTDTADYYPMGAF-QFIPXVFZSA-N 374.480 6.086 0 1 FKAF biogenic,in-vitro Clc1ccc(-c2cc(Cl)cc3c2N2CCNCC[C@H]2C3)c(Cl)c1 13535520 CXYZMDKHIFXQGJ-AWEZNQCLSA-N 367.707 5.038 0 1 FKAF CC(C)(C)c1cc(O)cc(-c2ccc(C(=O)NCc3ccccc3)cc2)c1 13603864 GYILJKVKRPIVKD-UHFFFAOYSA-N 359.469 5.287 0 1 FKAF COC1(c2cc(OCc3ccc4ccccc4c3)ccc2C)CCOCC1 13725438 CUZQIFLHBHZDCE-UHFFFAOYSA-N 362.469 5.379 0 1 FKAF C=C[C@](C)(O)CCC1=C(C)CC[C@H]2C(C)(C)[C@H](Br)CC[C@@]12C 14861011 ANWHCRZHFKQLIE-HNJRGHQBSA-N 369.387 6.020 0 1 FKAF biogenic CCCOc1ccc(-c2cc3ccccc3nc2SCCN(C)C)cc1 26293162 QAWKIWAFXDRQKJ-UHFFFAOYSA-N 366.530 5.344 0 1 FKAF c1ccc2c(c1)CCC1(CCN(CCc3cccc4ccccc34)CC1)O2 26746986 MRGNBQGTIXPNTD-UHFFFAOYSA-N 357.497 5.242 0 1 FKAF c1ccc(CC2CCN(CCCOc3cccc4ccccc34)CC2)cc1 28772091 UCJSUBMXRPFIJD-UHFFFAOYSA-N 359.513 5.563 0 1 FKAF C[C@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@H]12 29136184 WDRALMDRBRPBFL-GEVHSTDWSA-N 374.609 6.782 0 1 FKAF COc1cc(C(=O)CCc2ccccc2)c(OC)c(CC=C(C)C)c1OC 40847419 BGVVUMWXETXLSP-UHFFFAOYSA-N 368.473 5.037 0 1 FKAF O=c1oc2ccc(Cl)cc2c(=S)n1Cc1ccc(Cl)c(Cl)c1 53293397 HKLQNLCRYQNKHW-UHFFFAOYSA-N 372.660 5.332 0 1 FKAF COc1cccc(NCC[C@@]2(c3ccc(Cl)cc3)CCOC(C)(C)C2)c1 72107154 CKWOITIAHCGAAL-JOCHJYFZSA-N 373.924 5.678 0 1 FKAF Cc1c(Cl)cccc1Oc1cccn2c(C[C@H]3C[C@H]4CC[C@@H]3C4)nnc12 72108885 JQYYWVQHGKKNJP-ARFHVFGLSA-N 367.880 5.462 0 1 FKAF Fc1ccc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)c3ccccc3n2)cc1 84653950 NIJUSIXTSDOSPM-UHFFFAOYSA-N 373.818 6.238 0 1 FKAF COc1ccc(/C=C\c2ccc3oc(=O)c(-c4ccccc4)cc3c2)cc1 103182735 XXYVGINCJVSVPW-FPLPWBNLSA-N 354.405 5.639 0 1 FKAF Cc1ccnc(Nc2nc(-c3ccc(-c4ccccn4)s3)cs2)c1 140737908 XNUBYHLCQNGPAG-UHFFFAOYSA-N 350.472 5.381 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 141104843 MFZFIPYAPCDNNJ-DUJNFRHCSA-N 365.561 5.869 0 1 FKAF CCN(CC)Cc1cc(O)ccc1Nc1ccnc2cc(Cl)ccc12 142888621 KQQMQUWDJOCSIK-UHFFFAOYSA-N 355.869 5.179 0 1 FKAF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1F)[C@@H]1C(=O)CC(C)(C)CC1=N2 169722125 OTMUTOPOXJKLLB-SFTDATJTSA-N 368.427 5.518 0 1 FKAF O=C(/C=C\C=C\CCCC/C=C\c1ccc2c(c1)OCO2)N1CCCCC1 214846267 BADLEYLQAILHPV-YCRIUDLHSA-N 367.489 5.114 0 1 FKAF O=c1c2c(oc3ccc(Cl)cc13)-c1ccccc1OCCCCCO2 299868552 RSWORNGIMYLSLM-UHFFFAOYSA-N 356.805 5.055 0 1 FKAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 586885308 AVLLFBTXNJLZNQ-QFYYESIMSA-N 368.786 5.381 0 1 FKAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)s1 586993606 JGRYVIKHVOADBT-UHFFFAOYSA-N 357.434 5.497 0 1 FKAF Fc1cc(Br)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 587086643 BREXSQAEUOEDOA-UHFFFAOYSA-N 364.605 5.266 0 1 FKAF O=C(c1sc2cc(F)ccc2c1Cl)c1coc2ccc(Cl)cc12 587279282 QONICWBFLUSVGP-UHFFFAOYSA-N 365.212 6.324 0 1 FKAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)o1 587349837 GBCXQQVKELROGQ-UNMCSNQZSA-N 366.388 5.015 0 1 FKAF CC(C)=CCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353508 LDFACUAZDONTJA-RBBKRZOGSA-N 354.421 5.395 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CC[C@H]3C(=O)C2)c1 587365122 FBJHAKPRUCLIHR-ZBFHGGJFSA-N 369.420 5.590 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3oc4ccccc4c3c1)CC2=O 587486034 WMJMNOCBUKGHDL-QHCPKHFHSA-N 372.420 5.951 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(Cl)s1)CC2=O 587492025 ADNFCNOSWRAFGX-LJQANCHMSA-N 364.894 5.416 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)c(C)c3)c(C(=O)C(F)(F)F)c2c1 587642638 UCUZBYQLUCSLGA-LBPRGKRZSA-N 373.418 6.710 0 1 FKAF CC(C)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587817398 BSOAHVJUGPQBTM-HXPMCKFVSA-N 362.286 5.335 0 1 FKAF CC(C)C1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587818062 PGVBRQFMPRAMSZ-WHENESEISA-N 354.307 5.164 0 1 FKAF C[C@@H]1CC(C)(C)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587822213 JGXJMXXJEFTKON-FMTVUPSXSA-N 354.307 5.164 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2C(C)(C)C)N1 587824259 VUZQXKIWRBVTFQ-KPAZRMRSSA-N 368.334 5.554 0 1 FKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(C)cc(Br)c2[nH]1 587932255 WSAQLPXNCDSDKM-YJYMSZOUSA-N 371.278 5.088 0 1 FKAF COc1ccc(C2(c3nc4cc(Cl)c(F)cc4[nH]3)CC3(CCC3)C2)cc1 587936695 YKVWGQPGQBTYGV-UHFFFAOYSA-N 370.855 5.614 0 1 FKAF Fc1c(Cl)cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1F 587955974 MTKKUYVRWMZALQ-OAHLLOKOSA-N 368.814 5.869 0 1 FKAF COc1ccc(/C=C/c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC 653757050 CBKDQZIZDFQHLL-VOTSOKGWSA-N 370.420 5.206 0 1 FKAF Fc1cccc2c1[C@H](c1c(Cl)ccc(Cl)c1F)N1CCC[C@@H]1C2 963111703 QYYQFWWNZYRIFJ-ADLMAVQZSA-N 354.227 5.382 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccc(F)cc1Cl)C1CC1 963225826 GGVGPUBXICOHPO-QRQCRPRQSA-N 357.900 5.789 0 1 FKAF C=C(c1ccc2c(ccn2C)c1)c1cc(C(F)(F)F)nc2ccccc12 1857553058 QENTWNCTUKJALL-UHFFFAOYSA-N 352.359 5.807 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(F)c3)nc3c2Cc2cccc(O)c2-3)cc1 1857567954 YZPDDFGHKFNVSU-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF COC(=O)c1cc2c(c(CC=C(C)C)c1)O[C@](C)(CCC=C(C)C)C=C2 2356338521 ZMYVPUKCYGOUAE-HSZRJFAPSA-N 354.490 5.893 0 1 FKAF CCCCCn1c(-c2ccccc2)nc2c(NCc3ccccc3)nccc21 2382261175 IRWVKVVVFYXOOR-UHFFFAOYSA-N 370.500 5.901 0 1 FKAF Cc1cc([C@H](O)c2nc(-c3ccc(Oc4ccccc4)cc3)c[nH]2)ccc1F 61906540 OPYAAUDCPSWEAP-QFIPXVFZSA-N 374.415 5.398 0 3 FKAF COc1cccc([C@@](C)(O)c2nc(-c3csc4ccccc34)cs2)c1 61907545 NPXBZNFNUGWCSN-HXUWFJFHSA-N 367.495 5.289 0 3 FKAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCCC 4214405 DNEGBMLOBWBZNQ-NHCUHLMSSA-N 374.525 5.016 0 1 FKAF CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 12656664 RSEPBGGWRJCQGY-FLQYYVGBSA-N 356.506 5.350 0 1 FKAF FC(F)(F)c1cc(Cl)c(-n2cc3c(n2)CCC3(F)F)c(Cl)c1 28572251 ZQKITYYGRSOQBZ-UHFFFAOYSA-N 357.109 5.236 0 1 FKAF O=C(NC1CCCCC1)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1 40915122 XMACYJIRVOKHIF-UHFFFAOYSA-N 371.480 6.442 0 1 FKAF CC(=O)OC/C=C(\C)C[C@H](C)C[C@@H](C)CCCCCCCCC(C)C 103176512 YOKQQBWIWJYSNO-UKGKJFFASA-N 352.603 7.325 0 1 FKAF COc1ccccc1Nc1nnc(C)cc1-c1cccc(C(F)(F)F)c1 103292449 NIIRKOFYJLPGRE-UHFFFAOYSA-N 359.351 5.223 0 1 FKAF COc1cccc([C@H](C)Nc2cc(-c3cccc(Cl)c3)nc(C)n2)c1 141891467 TZKCXCQPVSJYNF-ZDUSSCGKSA-N 353.853 5.287 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(Cl)cn4)nc13)-c1ccccc1C2=O 586993150 LXCQERPFCIOTRN-UHFFFAOYSA-N 356.812 5.470 0 1 FKAF Brc1n[nH]c2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc12 587007792 RUUISFZAQXYUMT-UHFFFAOYSA-N 363.218 5.022 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(F)ccc4[nH]3)c21 587031734 UPVHOKDGRYWQEM-LBPRGKRZSA-N 351.450 5.661 0 1 FKAF Clc1ccccc1-c1ccc(Cc2nc3c(Cl)ccnc3[nH]2)cc1 587063294 SIPIWTAVANQOJB-UHFFFAOYSA-N 354.240 5.523 0 1 FKAF Cc1c(Cl)ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587075351 BXLLJIXVSBLYDF-UHFFFAOYSA-N 370.239 5.613 0 1 FKAF Cc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Cl 587125822 SIFDMIUNMPJHEC-QPJJXVBHSA-N 368.811 6.307 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587160886 HSHJZRWCCFVJEK-STQMWFEESA-N 352.356 5.585 0 1 FKAF Brc1ccc2c(-c3cc4c5c(cccc5n3)CC4)ccnc2c1 587207032 AUJJQNUWJSMCID-UHFFFAOYSA-N 361.242 5.311 0 1 FKAF Cc1ccc(NC2(c3nc4ccc(C(F)(F)F)cc4[nH]3)CCCC2)cc1 587236951 IDGDSLIRYULIOW-UHFFFAOYSA-N 359.395 5.772 0 1 FKAF COc1cccc(-c2cc([C@H]3CCCCN3)nc3c2oc2ccccc23)c1 587364076 WVKUXYUYNLEVHY-LJQANCHMSA-N 358.441 5.471 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1cccc(Cl)c1)(CC(C)C)O2 587376426 CISAJYWKKPIEIR-OAQYLSRUSA-N 357.881 5.223 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccccc4)c(F)c1)[C@@H](C2)C3=O 587428120 WTEUDGXLKCZDBW-YADARESESA-N 374.411 5.164 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1c(C4CCCC4)[nH]c4ccccc14)[C@@H](C2)C3=O 587436781 AQRPWQZAJSESOC-XDHUDOTRSA-N 373.452 5.323 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(CC[C@@H]1C(C)=CCCC1(C)C)[C@@H](C2)C3=O 587446258 VNRXAKVXGLHITG-STSQHVNTSA-N 354.490 5.364 0 1 FKAF CCCCn1nc(C)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504510 WTVJMXGKCYRVRJ-GOSISDBHSA-N 372.896 5.230 0 1 FKAF CC(C)(C)C[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587508087 YOVPLIBOGXZNJC-DEOSSOPVSA-N 366.476 6.001 0 1 FKAF CC[C@H](c1ccccc1)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821578 VWOPAACPGJEQOI-KPAZRMRSSA-N 362.286 5.357 0 1 FKAF CSc1ccc(-c2csc(-c3cc(Cl)cc(Cl)c3)n2)cc1 587924649 HIGMWQGXFCHYAU-UHFFFAOYSA-N 352.311 6.506 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 587958992 JUJGAFHOYNHBQX-UHFFFAOYSA-N 366.386 6.148 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 587959484 NSEUVOIKGIKJED-UHFFFAOYSA-N 367.452 5.014 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 587962283 WUNUEXYBFMLPOK-PMACEKPBSA-N 352.437 5.140 0 1 FKAF Cc1[nH]c2c(Cl)cccc2c1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963115739 XMGIYNBTONLXEW-QVKFZJNVSA-N 354.856 5.379 0 1 FKAF O=C(c1cccc2ccccc12)n1c(C2CCCCC2)nc2ccccc21 1772592760 XJGRJPWJLWFQMW-UHFFFAOYSA-N 354.453 5.926 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1cn(CC)nc1-2 1857563078 YDSPBMVKWIIBIS-UHFFFAOYSA-N 370.537 6.151 0 1 FKAF C[C@@]12C=C(C=CCCc3ccco3)[C@@](C)(C1)[C@H](CCc1ccco1)CC2=O 1857622827 HSYVZZKTEPXIFY-QFWMQHCXSA-N 364.485 5.926 0 1 FKAF Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)cc1 732648 FWZRHQBGQFAXCP-UHFFFAOYSA-N 362.477 5.431 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC[C@H](O)CO 13479521 MHROLVDNBHVTMB-MDGVENSFSA-N 364.570 5.502 0 1 FKAF N=C(Nc1ccccc1C(F)(F)F)c1ccccc1NCc1ccncc1 40567989 GLHPYVYHOMLDEM-UHFFFAOYSA-N 370.378 5.150 0 1 FKAF CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)OC 40973021 RSOBBJCWWQRAAM-GHRIWEEISA-N 374.521 5.852 0 1 FKAF Clc1ccc(-c2cc(-c3csc(Nc4ccncc4)n3)on2)cc1 45167971 HPVMXYXQDIENFO-UHFFFAOYSA-N 354.822 5.257 0 1 FKAF COC(=O)c1sc(-c2ccc(-c3ccc4ccccc4c3)cc2)nc1C 72142393 AYODBEOCEYOCDG-UHFFFAOYSA-N 359.450 5.725 0 1 FKAF CO[C@@H]1C[C@H]2[C@@H]3CC=C(n4ccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H]3C[C@@]312 141037168 UEVQTGRVYPBALF-AACSBJFASA-N 352.522 5.002 0 1 FKAF Fc1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587062933 CTTJCCQNMOWIPB-UHFFFAOYSA-N 352.796 5.601 0 1 FKAF Fc1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1F 587123672 FXCBIOQCVUTUDS-BAQGIRSFSA-N 356.319 5.623 0 1 FKAF Cc1ccc(/C=C\c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1F 587146542 PLIKGGHRQLOCAJ-DAXSKMNVSA-N 352.356 5.793 0 1 FKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Cl)cccc3[nH]2)cc1 587158124 KGLOHEZOIWISFK-UHFFFAOYSA-N 350.780 5.502 0 1 FKAF Fc1ccc(-c2nc3c(s2)-c2nc4cccc5c4c(c2CC3)CC5)cc1 587212750 LBAHJQQNIFXQAF-UHFFFAOYSA-N 358.441 5.362 0 1 FKAF O=C(c1ccc(-c2cccc(Cl)c2)o1)c1coc2ccc(Cl)cc12 587279085 VJYTXYILZFERFH-UHFFFAOYSA-N 357.192 6.231 0 1 FKAF Cc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357467 ULSCEVBEPLMLHO-FYYLOGMGSA-N 362.400 5.114 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](O)[C@@H]3C)c1 587367683 YTBPIGMKOXCHGU-UGSOOPFHSA-N 359.425 5.067 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(Cl)ccc3[nH]1)CC2=O 587460768 HWHKFTXZSPDWDT-LJQANCHMSA-N 355.821 5.186 0 1 FKAF O=C1C[C@@H](c2cc3nccc(Cl)c3s2)Oc2c1ccc1c2CCCC1 587538108 NMLJDYQJHIILAT-KRWDZBQOSA-N 369.873 5.535 0 1 FKAF CCCC1CCC([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587604012 QNKXHZRGGJPHHW-QFHNSRLUSA-N 366.457 5.329 0 1 FKAF Cc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587691959 FJLHVAZYNZQQJU-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF C=Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587815790 QFIZMNHLOZXIRT-HXPMCKFVSA-N 360.270 5.029 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C)(C)[C@H]1CC[C@]2(C)C1 587829690 SEQOBEOBZDGNJR-TYHFBIBGSA-N 366.318 5.164 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4c(Cl)c(Cl)cnc4[nH]3)ccc2c1 587936070 QZFMRSKXDUIJEC-SNVBAGLBSA-N 372.255 5.578 0 1 FKAF Oc1cc(-c2ccco2)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587945393 NTWLXUFNCHACHA-UHFFFAOYSA-N 353.324 5.094 0 1 FKAF Cc1ccc(C)c(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 587958399 AGUGIEBRIIVMQX-UHFFFAOYSA-N 373.294 5.320 0 1 FKAF CC[C@@H](C)n1cc(-c2nc3ccccc3nc2Cl)c2cc(OC)ccc21 1857547935 GNOGKKCNXRDYFI-CYBMUJFWSA-N 365.864 5.885 0 1 FKAF CCCCC[C@@H](O)C=CC=CCCCC[C@H](CCC(=O)O)CCC(C)C 2356600284 GXMYTVGZPABJDJ-FCHUYYIVSA-N 366.586 6.518 0 1 FKAF COc1ccc2c(c1)O[C@@H](c1ccc(O)cc1)C[C@@H]2C=Cc1ccc(O)cc1 2356612000 RDUYMQQGTUMXQZ-FDDCHVKYSA-N 374.436 5.427 0 1 FKAF CC1=C([C@H](C)CCCC(C)C)CC[C@]12CC[C@@H]1[C@@H]2CC[C@@H]2CCCC[C@]21C 2356613574 QNEPSTOKGZVQKP-ASUIOEDPSA-N 370.665 8.562 0 1 FKAF COC(=O)c1ccc(-c2c(-c3ccccc3)ncc3cc(F)ccc23)cc1 36388761 FPRUSMPICRTDKW-UHFFFAOYSA-N 357.384 5.495 0 3 FKAF O=C(c1ccccc1)c1c(-c2ccccc2)sc2nc3ccccc3nc12 1622281 GQRULGOKPURVQE-UHFFFAOYSA-N 366.445 5.743 0 1 FKAF COc1ccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 5586584 ABMLYWCJQQUNFI-UHFFFAOYSA-N 368.651 5.209 0 1 FKAF CNCC[C@H](Oc1cccc2ccccc12)c1ccc(Br)cc1 13588063 TVGWXQAGBGCBIQ-IBGZPJMESA-N 370.290 5.332 0 1 FKAF CCCCCSCC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28099595 AIXODEBHLBBHQA-PWTZEBEDSA-N 354.556 5.295 0 1 FKAF NCc1ccc2[nH]c([C@H](Cc3ccccc3F)c3ccccc3F)cc2c1 28764024 YDOSEXITXNCPET-LJQANCHMSA-N 362.423 5.279 0 1 FKAF CCN(CC)Cc1cc(N)cc(Nc2ccnc3cc(Cl)ccc23)c1 40835369 IEZIVWKSRCGZJP-UHFFFAOYSA-N 354.885 5.056 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cnc(Cl)c1 45358612 DFLFRVZLMATTHR-JKSUJKDBSA-N 373.349 5.998 0 1 FKAF CCCCCOc1ccc([C@@](C)(O)/C=C/C2=C(C)CCCC2(C)C)cc1 49066763 UMXWKOMHOPORAF-BRGVFWSASA-N 356.550 6.546 0 1 FKAF Fc1cccc(Cl)c1-c1nc(-c2ccc(/C=C/c3ccccc3)cc2)c[nH]1 64550079 AOYHRXDTAGDKEV-MDZDMXLPSA-N 374.846 6.707 0 1 FKAF Brc1ccccc1-c1nc(CNCCC2=CCCCC2)co1 72184594 FFVOCBMWMPGCEC-UHFFFAOYSA-N 361.283 5.084 0 1 FKAF CCN(C)c1ncc(-c2nc3ccccc3s2)c(-c2cccc(C)c2)n1 82174002 ZKUAZKUTAGKXDL-UHFFFAOYSA-N 360.486 5.185 0 1 FKAF Cc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccccc2F)sc1C 82175315 HQOWXAZHWZWARR-UHFFFAOYSA-N 370.497 5.115 0 1 FKAF O=C(O)[C@@H]1CCCN(CCC/C=C/c2ccccc2-c2ccccc2F)C1 95594807 YZSVWUOOVODXFM-NULDLELZSA-N 367.464 5.083 0 1 FKAF CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 96922018 XIFANNFHTKRAPG-DQEYMECFSA-N 365.561 5.512 0 1 FKAF CCC/C=C/CSC[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101382295 QXBFRDGMYMBQMJ-UUZXIUJESA-N 352.540 5.071 0 1 FKAF CC(C)(C)OC(=O)NCC1(CC(=O)Sc2ccccc2)CCCCC1 103266945 VTEWEDJKNFRKOQ-UHFFFAOYSA-N 363.523 5.171 0 1 FKAF CSc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1 103539148 PNMOWTORALSPDD-FQEVSTJZSA-N 361.470 5.430 0 1 FKAF OC1=C2C(=Nc3ccc4ncccc4c3[C@H]2c2ccc3c(c2)OCO3)CCC1 104108719 PEJDWNWRDHPRON-OAQYLSRUSA-N 370.408 5.178 0 1 FKAF FC(F)(F)c1cccnc1Oc1ccc(Nc2cc(Cl)ccn2)cc1 139278241 QEEOSIWNWGPPNQ-UHFFFAOYSA-N 365.742 5.685 0 1 FKAF FC(F)(F)c1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cn1 143687515 NRDCGIHMFJOENP-UHFFFAOYSA-N 368.362 5.051 0 1 FKAF CCC/C=C\CSC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169728565 QXBFRDGMYMBQMJ-UXCSBWOOSA-N 352.540 5.071 0 1 FKAF CN1[C@H]2CC[C@H]1CC(CCO[C@H](c1ccccc1)c1ccc(Cl)cc1)C2 253663231 GCAHRQVSTZKWEH-RJGXRXQPSA-N 369.936 5.709 0 1 FKAF CC(C)[C@H]1CCCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586991056 QQFIRBQIYRUPBR-AWEZNQCLSA-N 357.453 5.303 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](C1CCCC1)C3 586991821 WWRMWOGZELYIHX-AWEZNQCLSA-N 355.437 5.057 0 1 FKAF Cc1cc(Br)c2[nH]c(-c3c[nH]cc3-c3scnc3C)nc2c1 587028532 VQJKTNBPYQFVMD-UHFFFAOYSA-N 373.279 5.061 0 1 FKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4c(Cl)ccnc4[nH]3)c2)cc1 587067865 SGIAZGGEXUZWHH-UHFFFAOYSA-N 370.239 5.091 0 1 FKAF FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587089199 ZQADHAIXHYLNRG-ZDUSSCGKSA-N 371.456 5.464 0 1 FKAF Cc1cccc(CCc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587100036 YXROCDFOMHPWKK-UHFFFAOYSA-N 363.460 5.848 0 1 FKAF CSc1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587122976 HDNTWRUFJXISIE-RUDMXATFSA-N 366.433 6.067 0 1 FKAF CCOc1cc(/C=C\c2nc3cc(OC)c(C)cc3[nH]2)ccc1OC(F)F 587131155 UVFILDBZDUVTQR-VURMDHGXSA-N 374.387 5.050 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 587163832 LSDNCWJYDFPMNI-UHFFFAOYSA-N 363.339 5.511 0 1 FKAF COc1cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2cc1Cl 587173703 GZSJPXVIZCWIQT-UHFFFAOYSA-N 350.180 5.166 0 1 FKAF Cc1cc(Br)cc2nc(-c3ccc4ccccc4c3N)[nH]c12 587254898 XWUXNZDESVPDOD-UHFFFAOYSA-N 352.235 5.036 0 1 FKAF COc1cccc(-c2cc(-c3cncc(F)c3)nc3c2oc2ccccc23)c1 587360170 JZSZGXPZCLXDAB-UHFFFAOYSA-N 370.383 5.858 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCCCCC3)c1 587365158 FIPBNTHIUFFDAU-UHFFFAOYSA-N 357.453 6.316 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccccc3)cc1C)O2 587398565 FNAIGCGSFLLFMH-QHCPKHFHSA-N 373.452 5.171 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1c(F)ccc(F)c1F)CC2=O 587466016 IZXIOUHAFLHSKU-HXUWFJFHSA-N 364.363 5.033 0 1 FKAF O=C1C[C@@](Cc2ccccc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587514179 HBRNZWIKSNKRNS-VWLOTQADSA-N 369.464 5.064 0 1 FKAF O=C1C[C@H](c2cccc(C(=O)C3CCC3)c2)Oc2c1ccc1c2CCCC1 587522703 GNWVCSFOAJMCMO-JOCHJYFZSA-N 360.453 5.255 0 1 FKAF O=C1C[C@@H](c2ccccc2C2CCOCC2)Oc2c1ccc1c2CCCC1 587535631 MJMFJEJLKJPLSV-QHCPKHFHSA-N 362.469 5.166 0 1 FKAF CCc1cc(CC)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587604795 YRLWJSZQYYMBAV-XUZZJYLKSA-N 374.436 5.220 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(F)ccc12 587632727 JGTFTZFBCKYRAM-UHFFFAOYSA-N 352.192 5.458 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(=O)C(F)F)c2c1 587643004 QQSQUYWHODWCGG-NSHDSACASA-N 361.819 6.450 0 1 FKAF C[C@@H](c1ccc(F)cc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587737472 XSOYDPFGOSIMTE-DDBGAENHSA-N 366.249 5.106 0 1 FKAF CC/C=C(/c1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821918 YRPIITRJSYIYJN-LCLOJNIXSA-N 374.297 5.657 0 1 FKAF Cc1c(F)ccc2c1[C@H](c1nc(-c3ccc(Cl)cc3)cs1)NCC2 962373800 JTTPGKMSLAIMLG-GOSISDBHSA-N 358.869 5.146 0 1 FKAF COc1cc(C)c([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)cc1C 963112940 TYHVQNBYKBPHOH-LJQANCHMSA-N 350.289 5.028 0 1 FKAF CC[C@H](C)CCCCCCCCCCCCCCCCC[C@@H](O)CO 2356442610 JQEKEXDMJYLFNV-XZOQPEGZSA-N 356.635 7.017 0 1 FKAF CC(=O)c1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1 13814190 OGNZVMBOUJSIGK-UHFFFAOYSA-N 368.432 5.946 0 3 FKAF aggregator O[C@@H](c1cccc(Cl)c1)c1nc(-c2cccc3cccnc23)cs1 61908348 FHZILDWMICDIGC-SFHVURJKSA-N 352.846 5.093 0 3 FKAF O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1CC2 1547671 UBSQJZPELRCTMC-UHFFFAOYSA-N 369.395 5.505 0 1 FKAF COc1ccc2[nH]cc(CCCCCCCCCCCCCCO)c2c1 3938093 RQFWABASLHVWFL-UHFFFAOYSA-N 359.554 6.393 0 1 FKAF CN(CCCc1ccccc1)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1 13557313 CTCJWIWEGWIVRG-AOYPEHQESA-N 355.525 5.698 0 1 FKAF Oc1ccc(-c2[nH]cnc2-c2c(Cl)cc(O)cc2Cl)c(Cl)c1 13558457 PGDGZCXURZGGNX-UHFFFAOYSA-N 355.608 5.115 0 1 FKAF Cc1ccc(-c2nc(N)n(-c3ccccc3)c2-c2ccc(Cl)cc2)cc1 66100921 XJWAZOGPNJCMJO-UHFFFAOYSA-N 359.860 5.750 0 1 FKAF Cc1nc([C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)co1 118922711 MCSQKDICBVZIBS-WHCNIEAUSA-N 355.522 5.390 0 1 FKAF Cc1ccc2c(c1)/N=C\c1ccccc1/C=N\c1cc(C)ccc1OCCO2 169358195 FOTZKQHJDWCLEY-YXHOTNNGSA-N 370.452 5.576 0 1 FKAF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)[C@@H]1C(=O)C[C@@H](C)CC1=N2 169722017 FMSPMCATPJWWEM-ALHNEKMOSA-N 370.855 5.642 0 1 FKAF CC(=O)O[C@@H](C/C(C)=C/C(=O)O)[C@]1(C)[C@H]2CCCC(C)(C)C2=CC[C@H]1C 238786903 RPDYJAJHHFYDMP-NLEWZKBASA-N 362.510 5.138 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2Cc1ccccn1 253634255 LYEZZXKWQAOTRN-CQALGVAQSA-N 363.545 5.484 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(F)c(F)cc1C3 587103065 DHYNEZLDXLYYIS-UHFFFAOYSA-N 355.343 5.296 0 1 FKAF C/C(=C/c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1ccccc1 587103926 KZVAJXOJEJSTPR-PEZBUJJGSA-N 362.432 5.919 0 1 FKAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587169122 SRVKOOWBOCHRBP-QMMMGPOBSA-N 374.721 5.394 0 1 FKAF COc1cccc(-c2c(CC(C)(C)C)c(C)nc3c2oc2ccccc23)c1 587364859 FEZNAGPCNSAMGC-UHFFFAOYSA-N 359.469 6.554 0 1 FKAF CCCCc1oc2ccccc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448090 BLSVRYPYUHXVPA-WAIKUNEKSA-N 362.425 5.273 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(c1cc4c(ccc5ccccc54)o1)[C@@H](C2)C3=O 587455036 HTOFLXFEBPPCCT-MHECFPHRSA-N 370.404 5.257 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)c3cccnc13)CC2=O 587459492 CUWCEJNZXUQTDR-IBGZPJMESA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccn(-c3ccccc3C)c1)CC2=O 587471787 UZNVCUDKCDKSRR-JOCHJYFZSA-N 361.441 5.150 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H]([C@H](CC(C)C)c1ccccc1)CC2=O 587490060 RJTFUJUUTUJOJE-DENIHFKCSA-N 352.474 5.508 0 1 FKAF C[C@@]1(c2c(Cl)[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587496207 ACMYVZJEYAEKOU-QFIPXVFZSA-N 365.860 5.581 0 1 FKAF O=C1C[C@@](c2ccc(F)cc2)(C2CCCC2)Oc2c1ccc1c2CCCC1 587504531 HNTQOMDVUJAEKC-DEOSSOPVSA-N 364.460 5.755 0 1 FKAF O=C1CC(c2ccccc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587523907 MERXKPARTNNMLV-UHFFFAOYSA-N 354.449 5.474 0 1 FKAF COc1c(C)cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587524932 NPSSOFCRERJACY-HSZRJFAPSA-N 350.458 5.071 0 1 FKAF Cc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587604199 VCLJUTKVRCFNJX-QPPBQGQZSA-N 374.436 5.194 0 1 FKAF Cc1cc(Cl)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587699610 SWHSYUJRDVEXLU-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF CSc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587785174 XVWBWJDKKMSARB-NTEUORMPSA-N 372.493 6.034 0 1 FKAF Cc1cccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)[nH]c12 587806793 VUWNMVFHHBLBHB-NSPYISDASA-N 373.269 5.002 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(C3CC3)oc3ccc(O)cc23)N1 962942125 BNDDWITULATCQU-LFVRLGFBSA-N 372.468 5.511 0 1 FKAF COc1ccc2nc3c(-c4ccco4)n(Cc4ccc(C)cc4)ccc-3c2c1 1857605901 RPAKIDMQPBQOPK-UHFFFAOYSA-N 368.436 5.766 0 1 FKAF CC1=CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H](OC(=O)C=Cc3ccccc3)[C@@H]12 2356570607 PJJFRVBMYOIECO-JXNNMWDUSA-N 368.517 5.011 0 1 FKAF CSc1ccc(O[C@@]2(C)CCN(Cc3ccc(OC(C)C)cc3)C2)cc1 61930946 FIKZJIWUAJZKSS-QFIPXVFZSA-N 371.546 5.239 0 3 FKAF Fc1cccc(-c2cc3cnc(Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 82083710 BOYBNZHWSATBAF-UHFFFAOYSA-N 371.337 6.131 0 3 FKAF Cc1cc(OCC(=O)O)cc(C)c1Oc1ccc2[nH]cc(C(C)C)c2c1 595180 AUWDEVSRJTXIII-UHFFFAOYSA-N 353.418 5.164 0 1 FKAF CC(=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 4896818 WBWPNIVYRIGGKO-MXJSQQEUSA-N 358.566 5.686 0 1 FKAF CCCCCN(CCCCC)C(=O)NC(C)(C(F)(F)F)C(F)(F)F 5245000 BVNBZEBOAFSRSM-UHFFFAOYSA-N 364.374 5.262 0 1 FKAF biogenic COc1cccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 5586793 AJRCZDBLIRCBRI-UHFFFAOYSA-N 368.651 5.209 0 1 FKAF CCCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1cc[nH]n1 13472106 JPZILXAOIDULDN-UHFFFAOYSA-N 354.477 5.363 0 1 FKAF CCCCc1oc2ccccc2c1[C@@H](O)c1ccc(-c2ccc(O)cc2)cc1 13806786 VZLNGUOESOANIN-VWLOTQADSA-N 372.464 6.230 0 1 FKAF C[C@@H]1CC[C@H]2[C@@H](C1)c1c(O)cc(-c3cc4ccccc4o3)cc1OC2(C)C 14584454 HCVQRSCZRRQWTK-OLMNPRSZSA-N 362.469 6.496 0 1 FKAF biogenic c1ccc(CCCc2ccc(CCCCCCC3N=NN=N3)s2)cc1 26953254 DBZNPBDZBYFLFE-UHFFFAOYSA-N 354.523 6.576 0 1 FKAF CCCC[C@H](O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C 28389226 GYRHSGNAVIFNKG-PUHATCMVSA-N 368.496 5.308 0 1 FKAF O=C(c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 28571104 JWGLGQHIGMBQRK-SFHVURJKSA-N 366.873 5.393 0 1 FKAF CCOc1cc2ncnc(/C=C/CCCc3ccccc3)c2cc1OCC 28951231 QLOYTAAAUVDJCT-GXDHUFHOSA-N 362.473 5.463 0 1 FKAF in-vivo CN(C)CCCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12 29487399 ZLYYBETWBFDGFY-UHFFFAOYSA-N 369.512 5.809 0 1 FKAF CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C 45387840 NRPKPAYBJWZZMX-UHFFFAOYSA-N 350.462 5.167 0 1 FKAF CCN(CC)C(=S)S[C@@H](CC(=O)c1ccccc1)c1ccc(C)cc1 49588971 QNWQXMLBJCQZQG-FQEVSTJZSA-N 371.571 5.669 0 1 FKAF Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)C(C)C)[C@H]3c1c[nH]c2ccccc12 49803215 ULMFDNAJIHOEAQ-QHCPKHFHSA-N 371.484 5.088 0 1 FKAF CCC(CC)c1cc(/C=C/c2cc(O)cc(O)c2)cc(C(CC)CC)c1O 66251650 YESCJYWGQGRVBA-MDZDMXLPSA-N 368.517 6.781 0 1 FKAF COc1cccc2nc(-c3ccccc3Cl)c(NC3CCCCC3)n12 72176237 HQYQWGLBZYNWKV-UHFFFAOYSA-N 355.869 5.408 0 1 FKAF CC(C)c1ccc(Nc2nccc3[nH]c(-c4ccc(F)c(F)c4)nc23)cc1 74386406 UIYZVYZJHHEOFH-UHFFFAOYSA-N 364.399 5.770 0 1 FKAF O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)c(Cl)c1 95553170 JQEPYJZBGVJTMI-UHFFFAOYSA-N 364.150 5.030 0 1 FKAF Cc1ccc(N(C)c2nc(-c3cc(C(F)(F)F)ccc3F)cs2)cc1 103229180 PUCWJRMMCKBHHT-UHFFFAOYSA-N 366.383 6.044 0 1 FKAF CC(C)=CCC/C(C)=C\CN1C(=O)[C@]2(C[C@@H](C)C[C@@H](C)O2)c2ccccc21 169333332 FCLSDSXDBAGLFT-HWTQJOBOSA-N 367.533 5.756 0 1 FKAF COc1ccc(Nc2c(-c3ccc(OC)cc3)c(=O)oc3ccccc23)cc1 198019789 JKIGARQQUDZCMT-UHFFFAOYSA-N 373.408 5.221 0 1 FKAF CCOCCN[C@@H](CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1 219073226 QSUKSSQKIZAJGP-SFHVURJKSA-N 358.353 5.456 0 1 FKAF CCCCN(CC)C1=CC(C)=N[C@@H]2[C@H]1C(C)=CN2c1c(C)cc(C)cc1C 299812280 OXBSTIROOYKZJO-UPVQGACJSA-N 365.565 5.758 0 1 FKAF c1cncc(CN2CCOc3ccc(-c4csc5ccccc45)cc3C2)c1 473129074 FLAFRIARUFOOPM-UHFFFAOYSA-N 372.493 5.358 0 1 FKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 587048462 HQZHRMUXULOTAB-RQJHMYQMSA-N 373.070 5.843 0 1 FKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(O)c1 587102611 YJYNTASQBSOPTH-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587196117 QXJQHESBHADPPX-QGZVFWFLSA-N 371.484 5.360 0 1 FKAF CC(C)(C)c1ccc([C@@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)cc1 587215426 NVQSDNYQLNMGSC-FQEVSTJZSA-N 355.481 5.278 0 1 FKAF Cc1nc(-c2ccccc2)nc(S)c1-c1cc2c3c(cccc3n1)CC2 587217150 UFRQHDOAYMYONJ-UHFFFAOYSA-N 355.466 5.055 0 1 FKAF Cc1ccc2c(c1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355539 VHJKOQMRFMHQSE-ISKFKSNPSA-N 374.411 5.040 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1C(F)(F)F)CC2=O 587464543 SIOVWCYMPACBMR-KRWDZBQOSA-N 350.336 5.070 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](Cc1ccc(C(C)(C)C)cc1)CC2=O 587476732 AOULJVSRQQSJQH-QGZVFWFLSA-N 352.474 5.219 0 1 FKAF CCN(CC)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587501289 BIENRSVVFJURGU-JOCHJYFZSA-N 367.464 5.257 0 1 FKAF O=C1C[C@@]2(CCC[C@H]2c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587504084 IFBPSWXJELPHPA-WMZHIEFXSA-N 366.888 5.891 0 1 FKAF CCc1ccc(-c2c[nH]nc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525469 NKNAMRWIOVWFCE-QFIPXVFZSA-N 372.468 5.224 0 1 FKAF C[C@@]1(CCC2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602846 LLRKQIWLOQKESB-OFNKIYASSA-N 366.457 5.473 0 1 FKAF O=C(c1ccc(F)cc1)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587630093 RETSRLKQXVTFGY-UHFFFAOYSA-N 359.681 5.349 0 1 FKAF Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2cccc(F)c2)cc1 587630606 MPBYGCITNMPBJO-UHFFFAOYSA-N 357.762 6.573 0 1 FKAF CCCC[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587705512 MXDMVENJHFAHDG-YMTOWFKASA-N 368.212 5.070 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C3CCC3)cc2)N1 587823379 PISKERWDKCFVAC-ODXCJYRJSA-N 374.297 5.479 0 1 FKAF Fc1ccc(-c2csc(Cc3ncc(C(F)(F)F)cc3Cl)n2)cc1 587922264 MUZKXRXKMOUCBY-UHFFFAOYSA-N 372.774 5.607 0 1 FKAF CCCOc1cc2nc([C@@H](CCC)C(C)C)[nH]c2cc1Br 587954707 DMHVJYMOLBAFEJ-LBPRGKRZSA-N 353.304 5.654 0 1 FKAF FC(F)(F)c1cc(-c2cncnc2-c2ccco2)cc(C(F)(F)F)c1 653887000 WBEYXUDUWMJHBE-UHFFFAOYSA-N 358.241 5.441 0 1 FKAF CSc1cccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)c1 1772618671 RLDFJCBIHWSIOC-UHFFFAOYSA-N 354.519 5.122 0 1 FKAF CCCC=CC=CCCC=CC=CCCCCc1cc(OC)cc(=O)o1 2356447529 VJXCRRDKVZGHIV-UHFFFAOYSA-N 356.506 6.166 0 1 FKAF C[C@@H]1CC[C@@H]2CC[C@@H]3C(=C[C@@]4(C)[C@@H]3[C@H]3C(C)(C)CC[C@@]3(C)C[C@H]4O)[C@]12C 2356620592 YIPZSYQSAKRRRI-QPDCNIEZSA-N 356.594 6.218 0 1 FKAF CC[C@H](C)NC(=O)C=CCCCCCCC=Cc1ccc2c(c1)OCO2 2356726627 ZPWYMHRULDAEAS-SFHVURJKSA-N 357.494 5.240 0 1 FKAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccccc3C(F)F)nc2c1 2382234818 AYRRROFEAUCZNQ-XMMPIXPASA-N 351.289 5.002 0 1 FKAF O=C(c1ccccc1)[C@H]1Oc2ccc3ccccc3c2[C@@H]1c1ccc(O)cc1 2382253928 ACYMEODIWUMYRY-DHLKQENFSA-N 366.416 5.321 0 1 FKAF Cc1cc2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]c2cc1C 1660305 LGALTZSPBITHOW-UHFFFAOYSA-N 350.506 6.147 0 1 FKAF CC(=O)Nc1c(O)c(C)c(CCCCC(C)C)c2[nH]c3ccccc3c12 13370227 JPOQGIVEBUQZKZ-UHFFFAOYSA-N 352.478 5.662 0 1 FKAF biogenic C[C@H]1CN(Cc2cc3ccccc3s2)CC[C@@]1(C)c1cccc(O)c1 13779630 QFJLMJRWKPOSKX-KSFYIVLOSA-N 351.515 5.407 0 1 FKAF Cc1cc(Cc2nnc(Nc3ccc(Cl)cc3)c3ccccc23)ccn1 13808835 ZQIINWWMLNWZKD-UHFFFAOYSA-N 360.848 5.321 0 1 FKAF Cc1nc2cc(NC(=S)Nc3ccccc3)ccc2n1Cc1ccccc1 28651961 LFHYJHSSGWEZGT-UHFFFAOYSA-N 372.497 5.202 0 1 FKAF O=C1/C(=C\c2ccc3ccccc3n2)c2ccccc2N1Cc1ccccc1 29124544 WHKGZYNUXPUMHO-JWGURIENSA-N 362.432 5.322 0 1 FKAF COc1ccc([C@H]2CC(c3cccc(O)c3)=Nc3ccccc3S2)cc1 40973777 ZYVHLPYWOHGTDC-JOCHJYFZSA-N 361.466 5.759 0 1 FKAF O=C(C1CCC1)[C@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40977178 NHGDWURBLGPZPM-OAQYLSRUSA-N 357.409 5.017 0 1 FKAF CCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2ccccc21 66066023 WPZQETQSLKKRKF-UHFFFAOYSA-N 363.852 5.219 0 1 FKAF C[C@H](/C=C/[C@@H]1C[C@H]1C)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 66112351 ZZBNLFUDCSYRKU-QSNAEKAYSA-N 364.573 6.713 0 1 FKAF in-vitro CCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(F)cc2)n1 82164017 GRPUUZUORSTCIO-UHFFFAOYSA-N 356.470 5.235 0 1 FKAF CCN(CC)CC[C@H](C)COc1c(Cl)cc(Cl)c2cccnc12 95595942 GXCNWDWFRWCAMG-ZDUSSCGKSA-N 355.309 5.288 0 1 FKAF COc1ccc(CN2CC[C@@H]3C[C@@H]2c2cc(-c4cccc(C)c4)ccc23)cc1 102837047 JAFOOEBCAFRBFR-ATIYNZHBSA-N 369.508 6.105 0 1 FKAF COc1ccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)cc1 169326834 YDNMXGCURWGSPK-UHFFFAOYSA-N 364.376 5.395 0 1 FKAF CCCCN(CCCC)C(=O)/C=C/c1ccc2cc3c(cc2c1)OCO3 169349641 ICPSCBMHIYGIME-CSKARUKUSA-N 353.462 5.011 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3nc(C)c(Br)cc3[nH]2)cc1 586880750 GXVJVPGAUBLWHM-UHFFFAOYSA-N 358.283 5.383 0 1 FKAF CCOCc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)o1 586902848 HIZHNZAGEZQELA-UHFFFAOYSA-N 350.443 5.511 0 1 FKAF Cc1ccnc2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc12 587047306 FXYUMAZKNZTQJI-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF COc1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cn1 587050423 KDLFSYPKLQXSPI-UHFFFAOYSA-N 360.200 5.200 0 1 FKAF Fc1cc2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2cc1C(F)(F)F 587073032 DCPJDTHTKLIVMK-UHFFFAOYSA-N 368.761 5.649 0 1 FKAF O=C1c2ccccc2-c2cc(-c3c[nH]c4cc(F)ccc34)nc3cccc1c23 587104267 PGDLWHICVIXLPE-UHFFFAOYSA-N 364.379 5.734 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587152887 FZCKQTVZYKOAGI-UHFFFAOYSA-N 360.388 5.197 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587161391 NFXDWVRJMJBAKH-NEPJUHHUSA-N 354.734 5.645 0 1 FKAF Cc1c(-c2nc3cc(Cl)c(F)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165774 DIJNTGATCGUPFQ-UHFFFAOYSA-N 357.791 5.475 0 1 FKAF CC(C)(C)c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587207392 SFWGOJVDVJBBGG-UHFFFAOYSA-N 363.460 6.411 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCc3sc4ccccc4c31)CC2=O 587495614 PLSHBHDMBLNQTI-JOCHJYFZSA-N 364.466 5.366 0 1 FKAF Nc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1-2 587512507 YKIXAOHVQIWFQF-VWLOTQADSA-N 367.448 5.037 0 1 FKAF Cc1cc(Cl)cc2c(C(C)C)c(-c3cccc(Br)c3)[nH]c12 587624163 YUODRLPYYREWHT-UHFFFAOYSA-N 362.698 6.683 0 1 FKAF Fc1ccc2c(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]c2c1 587633028 WSBHDJBFFNAEJK-UHFFFAOYSA-N 366.233 6.404 0 1 FKAF CCOc1ccc(OCC)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587778757 SMQBRAZZKQLMBH-UHFFFAOYSA-N 351.233 5.334 0 1 FKAF Clc1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587784913 VZJBXDJEIJVDNA-SDNWHVSQSA-N 360.844 5.966 0 1 FKAF CCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810882 DLTKDNQPRNRLDA-ORAYPTAESA-N 362.286 5.166 0 1 FKAF CC[C@@]1(CCCC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814536 TXTSYLJAVNEWLI-UGSOOPFHSA-N 356.323 5.554 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC3CCC2CC3)N1 587819361 MBFOXMZBQVGAQV-MOJFQLKYSA-N 366.318 5.164 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)cc1 587934599 FCLHNNBZWBWSHA-UHFFFAOYSA-N 351.409 5.454 0 1 FKAF CCC(CC)c1ncc([C@H]2N[C@@H](CC)Cc3c2[nH]c2ccccc32)s1 962962556 YAKGWZJQYSVADV-VBKZILBWSA-N 353.535 5.542 0 1 FKAF COc1ccc(C[C@H](C)[C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc1F 963101438 AXTFQADNGMXQRF-WLRWDXFRSA-N 368.279 5.207 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)[C@H]1C[C@H]1c1ccccc1Cl 963242490 QEDFAYTUFTXCPD-CTZMOBNVSA-N 353.937 6.016 0 1 FKAF Cc1[nH]c2ccc(F)cc2c1C[C@H](NCc1ccccc1)c1ccccc1 1857537912 MULJLLUXENRZAN-DEOSSOPVSA-N 358.460 5.689 0 1 FKAF Fc1ccc(/C=C/c2[nH]c3ccccc3c2/C=C/c2ccc(F)cc2)cc1 1857652167 AYOIJEVNNZKKJW-KAVGSWPWSA-N 357.403 6.787 0 1 FKAF C[C@]12CC=C(c3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 2356311755 DVFACKFNDPANLI-SQPISVFWSA-N 350.546 6.084 0 1 FKAF CC1=C2C[C@@]3(C[N@]4C[C@@]45CCCC54CCCC4)CC[C@@H](C)[C@@]2(CC1)C3(C)C 2356521411 WXPVGYXKHDXKPM-WRBNZHCPSA-N 367.621 6.728 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCCc1ccc(O)c(CC(=O)O)c1 2356841500 NJKADXLXQQMKCK-UHFFFAOYSA-N 370.533 6.371 0 1 FKAF Fc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCC1 587896 FFEQQJASETVPIT-UHFFFAOYSA-N 355.844 5.367 0 1 FKAF Cc1onc(-c2ccccc2F)c1C(=O)NCc1ccc(C(C)(C)C)cc1 775159 JUJHPWBDUVLLOX-UHFFFAOYSA-N 366.436 5.017 0 1 FKAF Clc1ccc(Cl)c(-c2cc(Cl)cc3c2N2CCNCC[C@@H]2C3)c1 13535533 DLYJFSUJZUIZRA-CQSZACIVSA-N 367.707 5.038 0 1 FKAF O=C(O)CC[C@H](Oc1cccc(OCc2ccccc2)c1)c1ccccc1 13780348 JCFWIDJCYZOMTD-QFIPXVFZSA-N 362.425 5.251 0 1 FKAF COC(=O)[C@@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCc1ccoc1 14691180 JHGCSAXOTKATLR-KELWLWQGSA-N 374.521 5.391 0 1 FKAF CC[C@@H]1CCCCN1c1cc(Oc2ccc3oc4ccccc4c3c2)ncn1 34056155 OZVTUHXOAXVNFY-MRXNPFEDSA-N 373.456 5.937 0 1 FKAF Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccccc1 49784108 SXNSPGPBTATFRJ-UHFFFAOYSA-N 356.347 5.207 0 1 FKAF Fc1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 64453537 YROMOPFSEZCTKG-UHFFFAOYSA-N 360.523 5.437 0 1 FKAF FC(F)(F)Oc1ccccc1-c1ccc2nc(/C=C/C3CCCC3)[nH]c2c1 73312912 BFHFQVIVAYUWJT-FMIVXFBMSA-N 372.390 6.332 0 1 FKAF CCCCc1ccc(-c2cc(N[C@H]3C[C@H](C)CC(C)(C)C3)ncn2)cc1 82162063 GYIMYFQJWRNBEO-PXNSSMCTSA-N 351.538 6.113 0 1 FKAF CCN(CC)C(=O)c1c(/C=C/c2ccc3ccccc3c2)cccc1OC 95588313 NJHJOOAWCOWXCF-JQIJEIRASA-N 359.469 5.501 0 1 FKAF Cc1cccc2cc3c(nc12)SC(Nc1ccccc1Cl)=NN=C3 98083624 YLMSXUHUWLBXPT-UHFFFAOYSA-N 352.850 5.104 0 1 FKAF Cc1cc(C2=C(c3ccc(Br)cc3)C[C@H]3CC[C@H]2S3)on1 101389010 VFWWGMNGYMVIBX-CZUORRHYSA-N 362.292 5.324 0 1 FKAF C[C@H](NC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl)c1ccc(Cl)cc1 103293202 NVXNDEOFVXDGNT-SJCJKPOMSA-N 368.691 5.033 0 1 FKAF CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 141897763 BWJSTRWOPPBMEX-IOIYHLTJSA-N 363.545 6.053 0 1 FKAF Clc1ncc(Br)c2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586881050 PZUINAKYTVXERK-UHFFFAOYSA-N 362.658 5.308 0 1 FKAF Cc1c(-c2ccc(F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988587 NFBRENFJBNYCTQ-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc(Cl)c4)nc13)-c1ccccc1C2=O 586992641 ICRKIQWEXYXUGB-UHFFFAOYSA-N 355.824 6.075 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Cl)c(Cl)nc2[nH]1 587066095 HYDRJRJIQGFKQL-MRVPVSSYSA-N 356.640 5.367 0 1 FKAF CCc1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587071005 KUNQEUPDPQDTBD-UHFFFAOYSA-N 362.860 6.025 0 1 FKAF CC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587095032 NFPRCVRMNSJQEL-UHFFFAOYSA-N 372.268 5.470 0 1 FKAF COc1ccc(-c2nc3ccc(Br)cc3[nH]2)c(C(F)(F)F)c1 587095619 NHXUEKIESNLSRT-UHFFFAOYSA-N 371.156 5.020 0 1 FKAF CCCc1c(-c2ccc(F)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587103868 NRPKFEALYXRSJP-UHFFFAOYSA-N 367.423 6.205 0 1 FKAF O=C(O)c1cccc(-c2ccccc2-c2cc3c4c(cccc4n2)CC3)c1 587215219 JPXIYBKGIBLCTP-UHFFFAOYSA-N 351.405 5.366 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)cc1 587242518 OKVVZNGHXMRZAY-UHFFFAOYSA-N 351.409 5.832 0 1 FKAF Nc1c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)ccc2ccccc12 587254280 YVVFXSBKQWCVFO-UHFFFAOYSA-N 363.420 5.196 0 1 FKAF COc1cccc(-c2cc(-c3ccncc3N)nc3c2oc2ccccc23)c1 587364017 YRYUTDLXKQNBNC-UHFFFAOYSA-N 367.408 5.301 0 1 FKAF CC[C@@H]1CC(=O)Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587366820 NCKSKKJJGBRRDI-CQSZACIVSA-N 371.436 5.666 0 1 FKAF Cc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587521061 ADCSCJLCHBCOOF-RUZDIDTESA-N 371.480 5.552 0 1 FKAF CCOc1cccc2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c12 587527041 SUGBWZCLUCGGEM-NRFANRHFSA-N 361.441 5.152 0 1 FKAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 587547876 VEWSQLZMBWZINR-RXVVDRJESA-N 366.800 5.057 0 1 FKAF CCCc1c(-c2ncccc2C)[nH]c2c1c(Br)cc1n[nH]cc12 587623340 FQZBMOZFURMZOV-UHFFFAOYSA-N 369.266 5.130 0 1 FKAF CCOC(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2cccc(F)c12 587632437 BWTLVMUPFPKPPH-UHFFFAOYSA-N 352.192 5.458 0 1 FKAF CCOC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2ccc([C@H](C)CC)cc12 587643496 UXTCJRFVVKFPLV-CYBMUJFWSA-N 367.420 5.233 0 1 FKAF C[C@H]1CC(C)(C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822658 LUMODXDHFOJYSD-IUUKEHGRSA-N 354.307 5.164 0 1 FKAF CC1=CCC[C@H](C)[C@@H]1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587823342 PBKKLYQBNLFXSY-MIFHMHLRSA-N 352.291 5.156 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(C(F)(F)F)cc1 587870780 IOQSYHNFOPWILA-UHFFFAOYSA-N 350.315 5.096 0 1 FKAF COc1ccc(-c2ccc(-c3nc4c(C)ccc(C)c4[nH]3)c(O)c2)cc1OC 587928054 XMDBORRDMMJYOS-UHFFFAOYSA-N 374.440 5.237 0 1 FKAF COc1cccc(CCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587931140 MCAQMJOPHHZNAB-UHFFFAOYSA-N 360.482 5.508 0 1 FKAF FC(F)(F)c1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cn1 587956692 UTKZJGSHTPKXEC-INIZCTEOSA-N 367.374 5.351 0 1 FKAF CC(C)=CCC/C(C)=C\c1nc2c(Cl)c(Br)cnc2[nH]1 587966673 DMDALKFXDKDAMP-YFHOEESVSA-N 354.679 5.524 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(C3CC3)oc3ccc(O)cc23)N1 962942096 BNDDWITULATCQU-FATZIPQQSA-N 372.468 5.511 0 1 FKAF Cc1ccnc2c1CCN[C@@H]2c1ccc(-c2cc(Cl)cc(Cl)c2)cc1 963073314 POCQPSJCIZIYPN-HXUWFJFHSA-N 369.295 5.599 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1cccc(-c2ccc(C)cc2)c1 963228239 LEOQMOVEHWNKHI-FQRUVTKNSA-N 355.525 6.408 0 1 FKAF CN1CCc2c(Br)cccc2[C@@]1(C)c1ccc2ccccc2c1 963289295 LTBCBKZOQSIPHS-OAQYLSRUSA-N 366.302 5.354 0 1 FKAF Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1CC(=O)O 1857574482 FLQDGVQEVOWTIT-UHFFFAOYSA-N 362.269 5.327 0 1 FKAF Nc1oc2c(-c3ccc(F)cc3)nccc2c1Nc1ccc(F)c(Cl)c1 1857764068 BIIAFYSYDDAKLC-UHFFFAOYSA-N 371.774 5.752 0 1 FKAF CCCC[C@@H]1C[C@@H](CC)OC(=O)[C@H]1CCCOC(=O)c1ccccc1C 2356851208 QFDPSZWFISIFKH-GGPKGHCWSA-N 360.494 5.080 0 1 FKAF Fc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)c3ccccc3n2)cc1 756792 USIANXKOVMGUIG-UHFFFAOYSA-N 368.371 5.153 0 1 FKAF C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(-c3ccccc3)nc21 13491867 VBCKEAQWAHLODG-MRXNPFEDSA-N 364.452 5.443 0 1 FKAF O=C(Cc1ccc2ccccc2c1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 13493270 VKUTWQSEJIUYBK-UHFFFAOYSA-N 361.832 5.065 0 1 FKAF COc1ccc(N2C(=O)[C@@H](CCCc3ccccc3)[C@H]2c2ccccc2)cc1 13604446 UHQBKWVLLOZQRQ-BJKOFHAPSA-N 371.480 5.422 0 1 FKAF CCCCC[C@H](C)OC(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 13738014 RVCCLXUZFUVJRA-INIZCTEOSA-N 362.514 6.160 0 1 FKAF C[C@@H]1CC=C[C@@H]2[C@@H](c3ccc4ccccc4c3)N(Cc3ccccc3)C(=O)[C@@H]21 13829858 RBOGTOKHHDCLPU-XUVDGOIQSA-N 367.492 5.752 0 1 FKAF CCCC[C@H](c1cccc(F)c1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 22941659 IUNNNLPJQWHQNA-QHAWAJNXSA-N 360.904 5.485 0 1 FKAF O=C1c2c(O)cccc2C(=CCCCc2ccccc2)c2cccc(O)c21 27332428 PUVHMMKQQHFVRS-UHFFFAOYSA-N 356.421 5.097 0 1 FKAF Fc1ccc([C@H](CCn2ccnc2)Oc2ccc(Cl)cc2Cl)cc1 28460202 QWLPIMDLAOWIDI-KRWDZBQOSA-N 365.235 5.539 0 1 FKAF CC1(C)CCC[C@]2(C)c3cc(OCc4ccccc4F)c(O)cc3CC[C@@H]12 28568748 BAAYEANQHHZSNZ-LADGPHEKSA-N 368.492 6.141 0 1 FKAF CC(C)c1ccc(NC(=O)c2ccccc2Cn2ccc3cnccc32)cc1 28572383 VZLXMVSBJXRICD-UHFFFAOYSA-N 369.468 5.460 0 1 FKAF Fc1ccc([C@@H](CCn2ccnc2)Oc2c(Cl)cccc2Cl)cc1 40980119 SRNJMXQTCVGLOQ-QGZVFWFLSA-N 365.235 5.539 0 1 FKAF O=C(CCCCN1CCCCC1)Nc1ccc(-c2ccc(F)cc2F)cc1 45291536 OHJVTMQWHLHCQT-UHFFFAOYSA-N 372.459 5.227 0 1 FKAF CCC(CC)c1ccc2c(NCCCNCc3ccco3)ccnc2c1 72124911 MRHVIKICGTXLQJ-UHFFFAOYSA-N 351.494 5.323 0 1 FKAF C[C@@]1(CCc2ccccc2)C=Cc2cc(NCc3ccccc3F)ccc2O1 72315277 FOHRWJRCGKNFPV-RUZDIDTESA-N 373.471 6.235 0 1 FKAF in-vivo Cc1nc(-c2cnc(NCc3ccccc3)nc2-c2ccccc2)sc1C 82163261 VBCVNUDRUGEYCT-UHFFFAOYSA-N 372.497 5.496 0 1 FKAF Fc1ccc(C2=N[C@@H](c3ccc(F)cc3)c3c(ccc4ccccc34)O2)cc1 84742031 IAUWNPVVNLBOSO-QHCPKHFHSA-N 371.386 6.047 0 1 FKAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc(-c2ccncc2)n1 96284259 IQVIVUCZIJXEDE-UHFFFAOYSA-N 359.216 5.094 0 1 FKAF CCCCCC[C@H]1C=C[C@@H](CCCCCCCC(=O)O)C[C@H]1C(=O)O 100050813 RYKIXDBAIYMFDV-CEXWTWQISA-N 352.515 5.665 0 1 FKAF CC(C)CC[C@@]1(c2ccccc2)CC(O)=C(Sc2ccccc2)C(=O)O1 100363969 NIYHOWRUZNKWDW-QFIPXVFZSA-N 368.498 5.827 0 1 FKAF c1ccc(-n2ccc3ccc(OCc4ccc5ccccc5n4)cc32)cc1 103247858 PHVKKWYEOVNTSD-UHFFFAOYSA-N 350.421 5.758 0 1 FKAF CCCC[C@H](C(=O)Nc1ccc(-c2ccnc(C)c2)cc1)c1cccc(C)c1 103273521 ALKKVGUCPPVDBI-DEOSSOPVSA-N 372.512 6.278 0 1 FKAF CC(C)(C)NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 169293813 WKJWFESSCHFAQW-XJMQMAFPSA-N 374.528 5.511 0 1 FKAF CCCCCNC[C@H](O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 169325762 KYADBKGHEZGXFJ-DEOSSOPVSA-N 360.501 5.229 0 1 FKAF Cc1ccc([C@H](C)[C@H](O)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 586884775 ARMLLJORMDVSPP-SBUREZEXSA-N 372.468 5.287 0 1 FKAF O=C1c2ccccc2-c2cc(CCC3CCCCC3)nc3ccc(O)c1c23 586992234 UIQWMPZLSPPEKX-UHFFFAOYSA-N 357.453 5.665 0 1 FKAF C[C@H]1CCc2sc(-c3nc4c(Br)cc(F)cc4[nH]3)cc2C1 587034860 ZWQCINZJPHADFW-QMMMGPOBSA-N 365.271 5.318 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587080980 IUMCNVCLJYLUML-UHFFFAOYSA-N 373.847 5.210 0 1 FKAF C[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccccc1C(F)(F)F 587098718 TZIROSGSDROCSP-LLVKDONJSA-N 374.341 5.058 0 1 FKAF Cc1ccc2c3c(cc(-c4nc5c(s4)CCC5)nc13)-c1ccccc1C2=O 587100800 AOUKAGJDGZGXEE-UHFFFAOYSA-N 368.461 5.367 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H](c1ccoc1)CCC4)-c1ccccc1C2=O 587101387 MTBPNXULYCVSBB-INIZCTEOSA-N 365.432 5.816 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4ccc(Br)cc4[nH]3)C2)c1 587131271 BNSUTDVSNGREFE-UHFFFAOYSA-N 363.205 5.207 0 1 FKAF Fc1cc(Br)cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 587161582 YATNYNDVARFQRS-UHFFFAOYSA-N 359.120 5.150 0 1 FKAF Fc1nc(Cl)ccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587177562 NBUDLSRGRYIILX-UHFFFAOYSA-N 350.102 5.090 0 1 FKAF COc1ccc(NC(C)(C)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 587201519 QCVDLEJRGSIJMX-UHFFFAOYSA-N 350.249 5.226 0 1 FKAF CCc1cc(=O)oc2cc(O[C@H](C)c3cc4c5c(cccc5n3)CC4)ccc12 587216492 CGSDKQQRGPIWPK-CQSZACIVSA-N 371.436 5.142 0 1 FKAF CCC1=Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CC1 587364706 AXXBFWDNCQCMPD-UHFFFAOYSA-N 355.437 6.396 0 1 FKAF COc1cccc(-c2cc(-c3ccns3)nc3c2oc2ccccc23)c1 587366711 PKOIJAKOEQYLML-UHFFFAOYSA-N 358.422 5.780 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3F)s1)O2 587386172 SVZXPSQFDNGKGM-KRWDZBQOSA-N 353.418 5.151 0 1 FKAF CC[C@H](C)c1ccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587391181 QBMTUAYIVYFILL-HJPURHCSSA-N 374.484 5.588 0 1 FKAF CCCCCC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521494 FUNSMICRRCHRCF-VWLOTQADSA-N 362.513 6.397 0 1 FKAF O=Cc1ccc([C@]2(C3CCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522693 GMHZAGDTJBFPPR-RUZDIDTESA-N 374.480 5.429 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)c3cccc(F)c3)c(C(F)(F)F)[nH]c12 587624696 RQINKSIHSAEGIN-UHFFFAOYSA-N 355.718 5.519 0 1 FKAF Cc1c([C@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2cc(Cl)c(F)cc12 587632109 OZIVIGAUSWHMAJ-MRXNPFEDSA-N 366.864 5.731 0 1 FKAF CCCCC/C=C/C=C\[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820026 NVPSKDZIQNMHHX-SUXJIDHRSA-N 366.318 5.856 0 1 FKAF FC(F)(F)Sc1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1 587950375 ABCIYQSNAZFMJD-UHFFFAOYSA-N 364.392 5.773 0 1 FKAF c1ccc(C2=NO[C@H](c3ccc([C@@H]4CC(c5ccccc5)=NO4)cc3)C2)cc1 1857655573 GADAQTQNJJHYMF-ZEQRLZLVSA-N 368.436 5.418 0 1 FKAF CC(=CCCC(C)=CCCC(C)=CCCC(=O)c1ccccc1O)CO 2356402117 YZTLBKLOFZVPRV-UHFFFAOYSA-N 356.506 5.747 0 1 FKAF C[C@H](C=CC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 2356791368 GPCPYOKNADTDDL-ZAUJRVAVSA-N 354.490 5.141 0 1 FKAF COc1ccc(-c2nc(Nc3ccc(F)c(F)c3)c3ccccc3n2)cc1 204756865 QFRHXYQJGZGVEV-UHFFFAOYSA-N 363.367 5.327 0 3 FKAF CC(C)=CCC/C(C)=C/CCCN1CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]2(C)C1 13756378 XPAVEAFHECYFMX-LQVWLGTGSA-N 361.614 5.968 0 1 FKAF CCC/C=C\CCCCCCCCCC/C=C/C=C/C(=O)N1CCCCC1 15149668 MKEWSYYOWWKTAK-AEPHKGLBSA-N 373.625 7.369 0 1 FKAF endogenous,in-man CCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(C)ccc(O)c1C 26669611 WHBQXROAMHOUNT-UHFFFAOYSA-N 364.445 5.292 0 1 FKAF CN1CC[C@@]2(c3cccc(O)c3)Cc3[nH]c4c(ccc5ccccc54)c3[C@@H]1C2 36215692 JJKQYSOUHFAGGN-WIOPSUGQSA-N 368.480 5.288 0 1 FKAF Cc1ccccc1-c1c(Cl)ccc2c1C=C(C(=O)O)[C@@H](C(F)(F)F)O2 66259133 VRVDZPBFYOIWQP-INIZCTEOSA-N 368.738 5.107 0 1 FKAF Cc1ccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2Cl)s1 95584409 IIHIBLPQYFEUHM-IBGZPJMESA-N 368.889 5.505 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C/CCCCCC(=O)O 95626187 RFKXDFPDYHBCRC-JGDWKEERSA-N 356.550 7.329 0 1 FKAF in-man CCCOc1ccc(C(=O)Nc2cccc(Nc3ccccc3F)n2)cc1 96273387 WTRAVKRIGLRGGT-UHFFFAOYSA-N 365.408 5.005 0 1 FKAF CCC/C=C(\C)CSC[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100999515 OISADBQASBHBLJ-GSEMMPNASA-N 366.567 5.461 0 1 FKAF CCOc1ccc([C@@H]2C3=C(O)CCCC3=Nc3ccc4ncccc4c32)cc1 101895451 YMHINAJXKVTASY-QFIPXVFZSA-N 370.452 5.848 0 1 FKAF Cc1cc(/C(=C\c2ccccc2)c2ccc(OCCN3CCCC3)cc2)on1 202990062 PTADMNUDUMITSN-NKFKGCMQSA-N 374.484 5.047 0 1 FKAF Clc1ccc(CN2CCC[C@@H]2c2nc3cc4ccccc4cc3[nH]2)cc1 587075306 HJYYMULVSNCUMN-OAQYLSRUSA-N 361.876 5.707 0 1 FKAF COc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587098801 UTRJKQFVVHFXEZ-UHFFFAOYSA-N 351.405 5.430 0 1 FKAF CC1(C)CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587350423 HTKPQHSPDAASCO-KNQAVFIVSA-N 354.421 5.229 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)C(C)(C)CCS3)O2 587412389 BMNNMHWTRQRCRA-QFIPXVFZSA-N 367.514 5.231 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cccc1C(F)(F)F)CC2=O 587460815 KCCMGRHCGAREHU-INIZCTEOSA-N 368.326 5.209 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(C1(c3ccccc3)CCCC1)CC2=O 587477972 ACCYDGRKWAJMJN-QHCPKHFHSA-N 364.485 5.581 0 1 FKAF C[C@]1(c2cc3cc(Cl)ccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587503025 WCJKMJITVBYVAZ-JOCHJYFZSA-N 366.844 5.846 0 1 FKAF Cc1ccccc1-c1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525428 PSFTUDLSSXZMAW-VWLOTQADSA-N 368.476 6.247 0 1 FKAF Cc1c(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c(C)c1C=O 587526785 SCXIQKBFYYZPOJ-JOCHJYFZSA-N 362.469 5.318 0 1 FKAF CCc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783560 CIACVXSSOUJGNH-RVDMUPIBSA-N 354.453 5.875 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C23CCC(CC2)CC3)N1 587815797 QHOSOXZQTDEPAN-TWAPGBOVSA-N 366.318 5.308 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)c1 653731220 MGUIUZDMEDBVPW-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF Cc1ccccc1C1CC2(C1)c1ccsc1CCN2Cc1cccnc1 963004059 FHAMAISAHFHMJD-UHFFFAOYSA-N 360.526 5.283 0 1 FKAF CCOC(=O)CCC[C@]1(C2CCCCC2)NCCc2c1sc(C)c2C 963029367 ROJKXNNHYZAZSU-OAQYLSRUSA-N 363.567 5.020 0 1 FKAF FC1(F)CCN(Cc2cc3ccccc3s2)C[C@H]1CCc1ccccc1 1772614032 VURSIPBYOGIYRQ-LJQANCHMSA-N 371.496 5.991 0 1 FKAF c1ccc([C@@H](OCCCCn2ccnc2)c2nc3ccccc3s2)cc1 1772646468 STTIFYNTEBKOGA-HXUWFJFHSA-N 363.486 5.079 0 1 FKAF CC(=O)OC[C@@H]1CCO[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]2CC1 2356445254 ZQSXEOHDZPOEDT-HIHICTBBSA-N 350.543 5.368 0 1 FKAF CC(C)CC(=O)Nc1ccc(Oc2ccc(NC(=O)CC(C)C)cc2)cc1 1028427 JGBRIJODLKOIFL-UHFFFAOYSA-N 368.477 5.448 0 3 FKAF aggregator COc1ccc(-c2noc3c2-c2nc(-c4ccc(C)cc4)sc2CC3)cc1 12477602 QPISJDFKODDDRC-UHFFFAOYSA-N 374.465 5.548 0 3 FKAF CN(C)CCC1=C([C@H](c2ccccc2)c2ccccn2)c2ccccc2C1 13493491 UFUQREONAQKXQA-RUZDIDTESA-N 354.497 5.175 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccccc1 13798286 HMIDDXLVYVRYHN-WJGLBBAVSA-N 362.513 5.222 0 1 FKAF COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 27719398 SLQCVRWWFLMARF-UHFFFAOYSA-N 360.844 6.073 0 1 FKAF COc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)cc1 35259955 UDHKCBXBANIODD-UHFFFAOYSA-N 363.457 5.726 0 1 FKAF Brc1ccccc1-c1nc2ccccn2c1NC1CCCCC1 72176350 HKNQVZIXCCPODD-UHFFFAOYSA-N 370.294 5.508 0 1 FKAF COc1ccc(Oc2cc(N(C)C3CCCCC3)ncn2)c2ccccc12 82067867 RHDLOTMMJXUNEM-UHFFFAOYSA-N 363.461 5.200 0 1 FKAF Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)C[C@@H]3CC(=O)O)c1 84636043 STMQJGCAFZYVJO-OAQYLSRUSA-N 372.464 5.664 0 1 FKAF Cc1cccc(Nc2nc(-c3ccc(-c4ccc(F)nc4)cc3)cs2)n1 143046517 HBFGJXQPPBRBJA-UHFFFAOYSA-N 362.433 5.458 0 1 FKAF C(=C/C12CC3CC(CC(C3)C1)C2)\c1ccccc1OCCN1CCCC1 169325277 FDCKFGKSBZXXRM-BQYQJAHWSA-N 351.534 5.391 0 1 FKAF ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3[C@@]1(Cl)C2(Cl)Cl 169351944 QBYJBZPUGVGKQQ-BTTBIWCDSA-N 364.914 5.270 0 1 FKAF COc1cc2c(cc1O)[C@@H]1Cc3sc(CCCC(C)C)cc3CN1CC2 210432269 FKGFIIONFUBXKJ-IBGZPJMESA-N 371.546 5.097 0 1 FKAF O=C(O)CCCCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 231930516 CKZGRGZXFFNECL-LEZJFOKVSA-N 360.582 6.680 0 1 FKAF Clc1ccc(O[C@@H](CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1 299839764 TZJCUYLPPDCFHU-KRWDZBQOSA-N 356.680 5.376 0 1 FKAF Cc1c(Oc2ccc(F)cc2)c(OC(C)C)nn1-c1ccc(C2CC2)cn1 473105022 RDNHAVKDNYIJLE-UHFFFAOYSA-N 367.424 5.172 0 1 FKAF OCc1ccccc1-c1cccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 586895389 YPFKZTWPXSZEOL-UHFFFAOYSA-N 370.786 5.321 0 1 FKAF Cc1c(Br)cnc2[nH]c([C@@H](C)SCc3ccccc3)nc12 586963599 PDEYRKFARUYDPO-LLVKDONJSA-N 362.296 5.023 0 1 FKAF CCC[C@@H]1CC(C)=Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991735 VYXJMBZPDBFMRY-CQSZACIVSA-N 355.437 5.843 0 1 FKAF CC[C@@H](C)[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992167 YDKNMVJZTAQQBK-KGLIPLIRSA-N 357.453 5.618 0 1 FKAF FC(F)(F)c1cc(Br)cc2nc(/C=C\c3ccsc3)[nH]c12 587026670 WOUNJBLXSZLVGN-UPHRSURJSA-N 373.197 5.576 0 1 FKAF Fc1ccc(/C=C(/c2nc3cc(Cl)cc(F)c3[nH]2)c2cccs2)cc1 587164196 OPTNEXYZORHJNY-RIYZIHGNSA-N 372.827 6.145 0 1 FKAF CCCCCN(C)c1ccc(F)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587385487 OJHWAVVGNBLENH-OAQYLSRUSA-N 370.468 5.049 0 1 FKAF CCCCCc1ccc([C@@]2(C(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402726 HCKCGHLSWVJHBP-DEOSSOPVSA-N 365.517 5.827 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1C)([C@H]1CCC[C@H](C)C1)O2 587404679 GURVVOSTKREUGD-VRXSFPRUSA-N 363.501 5.573 0 1 FKAF CCCCCc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587445756 OFHLBXKSUFITQS-XXBNENTESA-N 350.458 5.091 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccccc1)CC2=O 587485108 ZGIKMDNMWUWESZ-QHCPKHFHSA-N 374.436 5.844 0 1 FKAF C[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502711 MTBINPBHINTFSE-FQEVSTJZSA-N 371.274 5.209 0 1 FKAF CCCCCC[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600166 MMTGZGOZPCNRLG-UGKGYDQZSA-N 354.446 5.473 0 1 FKAF Cc1cccnc1-c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628305 SCWHGLXBMTYKJP-UHFFFAOYSA-N 358.285 5.884 0 1 FKAF CC(C)=CCC/C(C)=C\[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587818268 HHZCXDABKLDEJA-ISSWHDPYSA-N 366.318 5.856 0 1 FKAF CC1=C([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CCC1 587819476 IHRKTVSPINMECU-SGTLLEGYSA-N 366.318 5.690 0 1 FKAF CC(C)C[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587819615 VRVMYCJNSMKHKB-TYILLQQXSA-N 368.334 5.554 0 1 FKAF CC/C(=C\c1nc2ccc(Br)c(O)c2[nH]1)c1ccc(C)cc1 587968031 RWDCTDZXXXTMDL-ZRDIBKRKSA-N 357.251 5.290 0 1 FKAF c1ccc(C[C@@H]2CN3C(=N2)SC(c2ccccc2)=C3c2ccccc2)cc1 1772575273 PJYSNANDJLNLQB-OAQYLSRUSA-N 368.505 5.542 0 1 FKAF CC(=O)O[C@H](CC(C)=CC(=O)O)[C@]1(C)[C@@H](C)CC=C2[C@H]1CCCC2(C)C 2356378636 RPDYJAJHHFYDMP-DJZBOODTSA-N 362.510 5.138 0 1 FKAF CCCCCc1c(-c2ccc(F)cc2)ncn1CCc1ccccc1OC 95565792 ODECUWORPWPVJI-UHFFFAOYSA-N 366.480 5.673 0 3 FKAF CC(C)(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@]1(C)C[C@H]1C1CCCCC1 6202485 SLBCYAVRCBSFCW-CNNODRBYSA-N 361.957 6.150 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(Cl)c1 28759351 AUNVTBCVCUUPJD-UHFFFAOYSA-N 373.968 6.874 0 1 FKAF CC(C)(C)C1(O)CCN(CC2c3ccccc3Sc3ccccc32)CC1 33865077 KOLVUYCISGFJKK-UHFFFAOYSA-N 367.558 5.156 0 1 FKAF Clc1ccc(-c2cc(-c3ccc(Cl)o3)cc(-c3ccsc3)n2)cc1 45338689 DFGSIXNKYOBBRS-UHFFFAOYSA-N 372.276 7.044 0 1 FKAF O=C1CCCC[C@@H]1[C@@H](Nc1cccc2ccccc12)c1cc2ccccc2o1 66262118 HGKWHIVQQLOUTG-NBGIEHNGSA-N 369.464 6.499 0 1 FKAF CC/C=C\C/C=C\C/C=C\CCCCCCCCCc1cc(O)cc(O)c1 72170788 KKVVRYFZFGBRPM-PDBXOOCHSA-N 370.577 7.620 0 1 FKAF COc1ccc2cc(-c3nc(-c4ccc[nH]4)[nH]c3-c3ccncc3)ccc2c1 84654885 YGTHFEWHFCYRDU-UHFFFAOYSA-N 366.424 5.296 0 1 FKAF CC[C@H](C)NC(=O)c1nc(-c2ccc(Cl)cc2)c2cc(Cl)ccc2n1 84688853 VVVAKCGZFYEJRT-NSHDSACASA-N 374.271 5.132 0 1 FKAF COc1ccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1 144734299 DQWYTYBEYISNMW-FQEVSTJZSA-N 356.343 5.141 0 1 FKAF O[C@]1(C(F)(F)F)c2ccccc2-c2c(-c3cccnc3)cc(Cl)cc21 144768390 QUAFDAQBEHSDLD-GOSISDBHSA-N 361.750 5.181 0 1 FKAF COc1ccc(-c2cc3cc(F)ccc3nc2C(=O)c2ccccc2)cc1 169312338 MWTXGRFWZQTEED-UHFFFAOYSA-N 357.384 5.281 0 1 FKAF CCCCN(CCCC)C[C@H](O)c1c(Cl)cc(Cl)c2ncccc12 169338276 LSNFWNNVICBESW-KRWDZBQOSA-N 369.336 5.477 0 1 FKAF CC1=CC[C@@H]2[C@@H]([C@@H](C)CC/C=C(/C)C(=O)O)CC[C@]2(C)CC2=C(C)CC[C@H]12 238763053 RLOJDPOJHFERLF-VKQHDLDJSA-N 370.577 6.933 0 1 FKAF Brc1ccc2nc3cn(CCCc4ccccc4)ccc-3c2c1 377816510 OXCNAUDODZKRFZ-UHFFFAOYSA-N 365.274 5.536 0 1 FKAF N=c1[nH]ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587048107 QTFNOJMBFBMDCA-UHFFFAOYSA-N 355.228 5.011 0 1 FKAF CC(C)Oc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105865 FWCFQRVQHXDGMY-UHFFFAOYSA-N 365.432 5.900 0 1 FKAF CC(C)(C)c1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587205999 IQNOYORFQLDOFW-UHFFFAOYSA-N 363.460 6.411 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccccc3)c(F)c1)O2 587381359 HZRWCHYGDDNOED-HSZRJFAPSA-N 361.416 5.264 0 1 FKAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587815576 NUJJPQKFLNMBEB-DJJJIMSYSA-N 362.286 5.003 0 1 FKAF Cc1cc(C)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587815817 QKWULRSWPRIZOX-ORAYPTAESA-N 362.286 5.003 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@@]2(C)C3(C)C)N1 587817021 HHUDOZMGSPWPSJ-AIUTXOIMSA-N 366.318 5.164 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccnc2-c2ccsc2)N1 962953170 KQDWFSPPMZXYBY-BTYIYWSLSA-N 359.498 5.305 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccccc2)(C2CCCCC2)N1 962957256 OFSVCTVCLJZEDB-HFZDXXHNSA-N 372.556 6.111 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cncc2nc(C(C)(C)C)oc12 963235614 XBNUKIIMLXYKLT-YWZLYKJASA-N 363.505 5.266 0 1 FKAF CCc1ccccc1-c1cccc2cc(CNCCCCC(=O)O)sc12 1772581373 NYNWNQJFZDDEMS-UHFFFAOYSA-N 367.514 5.475 0 1 FKAF CC(C)=CCC/C(C)=C/COc1ccc(-c2cnc(-c3ccccc3)o2)cc1 1772588178 VGZIRUUWHNABAU-CAPFRKAQSA-N 373.496 7.080 0 1 FKAF CCCc1nn(C)c2c(Nc3ccccc3)nc(/C=C/c3ccccc3)nc12 1857581927 HJCFMFWJXFOVFY-FOCLMDBBSA-N 369.472 5.230 0 1 FKAF O=C(CC1CCCCC1)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1 1857613989 ZQFWCNLRMDZQRC-UHFFFAOYSA-N 366.480 5.297 0 1 FKAF CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356389558 ZGWAMLWWZPWUEI-KMABNNSFSA-N 356.550 5.750 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](O)C(=O)c1ccc(O)cc1O 13341333 LCOXFGCEXKCJHC-GLCVABDJSA-N 372.505 5.451 0 1 FKAF Oc1ccc(C(=C(CC(F)(F)F)c2ccccc2)c2ccc(O)cc2)cc1 13492382 WAOZHMBQSJUJOL-UHFFFAOYSA-N 370.370 6.009 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ncccc1C(=O)O 13602640 GOZQEUPXDXNBKY-YAUBYZHOSA-N 359.535 6.291 0 1 FKAF CN1CC[C@]2(c3cccc(O)c3)Cc3[nH]c4c(ccc5ccccc54)c3[C@H]1C2 13741138 JJKQYSOUHFAGGN-RDGATRHJSA-N 368.480 5.288 0 1 FKAF Cc1cc2c(cc1C(=O)c1cccc(C(=O)O)c1)C(C)(C)CCC2(C)C 13742687 GLVGHPNCCBMWFS-UHFFFAOYSA-N 350.458 5.273 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](C)C(=O)NCCO 13761118 POPPPMLPRVFFPI-FQPARAGTSA-N 361.570 5.487 0 1 FKAF CCCCC[C@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1CCCC(=O)O 25991011 VOEQWJRVRYMVGK-NAVIBDNMSA-N 360.582 6.536 0 1 FKAF Clc1cc2nc(Br)n(CCc3ccccc3)c2cc1Cl 28254102 FQARLHXCJGMKCD-UHFFFAOYSA-N 370.077 5.348 0 1 FKAF CCCCn1c(NC(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc21 36184962 VAOOASBAPUWBRR-UHFFFAOYSA-N 362.260 5.396 0 1 FKAF Oc1cc(Cl)ccc1Oc1ccccc1CNCCCc1ccccc1 40564561 PRLXAEWRQIJZSV-UHFFFAOYSA-N 367.876 5.560 0 1 FKAF O[C@](c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1C(F)(F)F 72186605 FRGFYHMBBWYTGH-GOSISDBHSA-N 363.766 5.038 0 1 FKAF CCN(Cc1nc(-c2ccccc2)c(-c2ccccc2)n1C)c1ccccc1 96914904 BJKCOWJAKXAGQI-UHFFFAOYSA-N 367.496 5.781 0 1 FKAF Cc1ccc(CN2[C@H]3CC[C@H]2CC(Nc2cccc4cnccc24)C3)cc1 100617047 RAPCYCUXNJRBES-VXKWHMMOSA-N 357.501 5.151 0 1 FKAF CCn1c2ccccc2c2cc(C(=O)c3ccc(C)c4ccccc34)ccc21 114188078 JHYURZUKNMASQT-UHFFFAOYSA-N 363.460 6.507 0 1 FKAF CC(C)CNC(=O)/C=C/CCCCCC/C=C\c1ccc2c(c1)OCO2 213244728 DOGZABSTLUIXJO-DSOJMZEYSA-N 357.494 5.098 0 1 FKAF Cc1c(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)oc2c1[C@H](O)CCC2 586905241 ICGPAKZLQHNEBS-LLVKDONJSA-N 370.758 5.173 0 1 FKAF Cc1cc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C 586991918 QXZHBRCHPIARLP-UHFFFAOYSA-N 367.404 5.141 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cnncc2[nH]1 587070519 HLRREGMVHCPGQW-XQJVFVEJSA-N 359.260 5.026 0 1 FKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Cl)cc(F)c2[nH]1 587076686 YZDVUQBVXYCYQS-UHFFFAOYSA-N 361.207 5.170 0 1 FKAF Fc1cc(C(F)(F)F)ccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587109909 WRWCIPNSQGJYCC-UHFFFAOYSA-N 350.102 5.090 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2)c1 587131333 FMRMYDOUHWZBOJ-UHFFFAOYSA-N 352.306 5.463 0 1 FKAF O=C(c1nc2cc(F)c(Cl)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132478 BUPXVXIZMLCMFD-UHFFFAOYSA-N 361.562 5.032 0 1 FKAF COc1cccc(-c2cc([C@H]3C[C@@H]4C=C[C@H]3C4)nc3c2oc2ccccc23)c1 587364455 AGGZBSMALDVHNG-SYNHAJSKSA-N 367.448 6.336 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C2CC2)CC3)c1 587366291 KOSBYZSJVZCNGH-INIZCTEOSA-N 369.464 6.172 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc([C@@H](C)CC)ccc1OC)CC2=O 587478828 KMSQXAHUMHCEBF-FPTDNZKUSA-N 368.473 5.573 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3cc(C)c(C)cc3o1)CC2=O 587482050 OIUSADXKBXZDHV-HSZRJFAPSA-N 364.441 5.588 0 1 FKAF O=C1C[C@H](c2ccc(Oc3ccccn3)cc2)Oc2c1ccc1c2CCCC1 587516571 YGKVNGKCLFTIIL-JOCHJYFZSA-N 371.436 5.459 0 1 FKAF CC(C)CC1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600612 OSAYRDYXNMZGQQ-LJQANCHMSA-N 354.446 5.185 0 1 FKAF CCCCC[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602411 XJKVPFLZXZVQFT-CVDCTZTESA-N 368.473 5.719 0 1 FKAF Cc1c(-c2cccc(F)c2F)[nH]c2c1c(Br)cc1n[nH]cc12 587623084 YNAKJBOWAHMBMQ-UHFFFAOYSA-N 362.177 5.060 0 1 FKAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)(F)F)cc1C 587624945 WSCJUQDJMBABCB-UHFFFAOYSA-N 365.782 6.159 0 1 FKAF CC[C@@H](C)c1ccc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)cc1 587631106 GIZNDXWGWJUCNM-LLVKDONJSA-N 358.844 6.035 0 1 FKAF CCN(Cc1[nH]c2cc(F)ccc2c1-c1ccccc1)c1ccccc1C 587635780 SEBBPRJGASOVME-UHFFFAOYSA-N 358.460 6.309 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(C(C)=O)cc3[nH]2)c1 587779940 JYMQXBHYJYDWEN-UHFFFAOYSA-N 356.425 5.498 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)cc1O 587786720 PMFJYIRUYWBXFV-UHFFFAOYSA-N 350.805 5.265 0 1 FKAF Cc1cc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2[nH]1 587803307 OUUKYGXBSLSLNZ-DGIBIBHMSA-N 373.269 5.002 0 1 FKAF Fc1ccc(F)c(-c2csc(Cc3ccc(Br)cc3)n2)c1 587921940 CYYJQIPMOMKZSO-UHFFFAOYSA-N 366.230 5.442 0 1 FKAF Cc1cc(C)cc(-c2cc3oc(=O)cc(C)c3cc2-c2cc(C)cc(C)c2)c1 1772645483 IEOAZYHBYNDKBW-UHFFFAOYSA-N 368.476 6.669 0 1 FKAF Cc1cc(Oc2ccc(/C=C3\SC(=O)NC3=O)cc2)cc(C)c1Cl 1857648015 WLXQKPORUADWCG-DHDCSXOGSA-N 359.834 5.073 0 1 FKAF CC(C)=CCCC(C)=CCC[C@@]1(C)C=Cc2c(c3ccccc3oc2=O)O1 2356472797 JQLNFODDCYXPCO-DEOSSOPVSA-N 364.485 6.430 0 1 FKAF COc1ccc(CCC(=O)c2ccc(OC)c(CC=C(C)C)c2OC)cc1 2356530414 DBXFZHZIELHMMK-UHFFFAOYSA-N 368.473 5.037 0 1 FKAF CC1=C([C@H](C)CCCC(C)C)CC[C@]12CC[C@@H]1[C@@H]2CC[C@H]2CCCC[C@]21C 2356613576 QNEPSTOKGZVQKP-UJIPEYTBSA-N 370.665 8.562 0 1 FKAF C[C@H](O)CCCCCCCCCCCCCc1cccc(O)c1C(=O)O 2356855166 RADCIILJHZXQTQ-SFHVURJKSA-N 364.526 5.695 0 1 FKAF COc1cc([C@@H](C)c2ccc3c(c2)Nc2ccccc2S3)ccc1F 2382224829 GIEPDUBHFIPECH-ZDUSSCGKSA-N 351.446 6.194 0 1 FKAF CC[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 13304213 AOUWTGIEFIEWFQ-BKKFENPESA-N 371.524 5.719 0 1 FKAF Cn1cncc1C(=O)CCCCCCOc1ccc(-c2ccccc2)cc1 13587157 MZWGFPHGAHLIDB-UHFFFAOYSA-N 362.473 5.299 0 1 FKAF c1ccc(CC2CCN(CCCC[C@@H]3CCCc4ccccc43)CC2)cc1 13759826 BDVZYHSLLRBSCD-RUZDIDTESA-N 361.573 6.232 0 1 FKAF Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(S)o2)c1Cl 13828103 KIECGCXXVDIPRK-UHFFFAOYSA-N 352.246 5.384 0 1 FKAF Cc1ccc2c(c1)c(CCCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1 28124848 ZFLZZWRJDDISQQ-UHFFFAOYSA-N 369.848 5.007 0 1 FKAF C[C@@H](Cn1ccc2ccc3ncccc3c21)NCc1ccc2ccccc2c1 28568333 HECOADMZVNOEPY-SFHVURJKSA-N 365.480 5.521 0 1 FKAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C=C[C@@]2(O)c1ccccc1 29394641 PRCGTYKZJAVITA-WJGLBBAVSA-N 360.497 5.215 0 1 FKAF CCCCCn1c(C(CC)CC)nc2c(NCc3cccs3)ncnc21 82178470 LPSFGKCZKNBELL-UHFFFAOYSA-N 371.554 5.594 0 1 FKAF CC1(C)C(/C=C/c2c[nH]c3ccc(Br)cc23)=Nc2ccccc21 96934733 VHPIGJVEDAYQCW-JXMROGBWSA-N 365.274 6.008 0 1 FKAF CO[C@@H](c1ccccc1COc1cc(C)ccc1C)c1c(C)noc1C 103171629 VGAKLMJWCHXKKB-QFIPXVFZSA-N 351.446 5.223 0 1 FKAF CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118931228 KCBHZVKBMOMXJF-DAMCVVMBSA-N 358.566 6.297 0 1 FKAF biogenic CC(C)=CCc1c(O)cc(O)c(CC=C(C)C)c1/C=C/c1ccc(O)cc1 143739842 MTVXRRAAXZXGQT-NTEUORMPSA-N 364.485 5.991 0 1 FKAF CCSC[C@@H]([C@@H](OC)c1ccc(Cl)cc1)n1cnc2ccccc21 473108707 OGTKPBIJDMDGTA-OALUTQOASA-N 360.910 5.372 0 1 FKAF c1ccc(COc2ccc3nc(CCc4cc5ccccc5o4)[nH]c3c2)cc1 586909308 YDKUHAGWBTYLDZ-UHFFFAOYSA-N 368.436 5.673 0 1 FKAF CCCC(Br)(CCC)c1nc2cc(Cl)cc(Cl)c2[nH]1 586971259 PWKUUGCFUVMJEL-UHFFFAOYSA-N 364.114 6.060 0 1 FKAF CCc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586993828 JNHVJVWLXGYVPQ-UHFFFAOYSA-N 357.434 5.443 0 1 FKAF COc1cc(-c2nc3ccc(Cl)cc3[nH]2)cc(Cl)c1OCC(C)C 587044808 SLRORDGNQASBJP-UHFFFAOYSA-N 365.260 5.580 0 1 FKAF COc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)c(Cl)c2)c1 587051245 BHFIGYGHJZJABZ-UHFFFAOYSA-N 352.796 5.698 0 1 FKAF Cc1onc(-c2nc3cc(Cl)ccc3[nH]2)c1COc1ccccc1Cl 587063810 YKMNBLHDRGHGBE-UHFFFAOYSA-N 374.227 5.412 0 1 FKAF Oc1ccccc1-c1cc(-c2nc3cnccc3[nH]2)c2cccc(Cl)c2n1 587082171 GKEINJDSAVBWEV-UHFFFAOYSA-N 372.815 5.199 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc5ncccc5c4)nc13)-c1ccccc1C2=O 587096580 LUFVDPMJHZTOLH-UHFFFAOYSA-N 372.427 5.970 0 1 FKAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc3ccccc3cc2[nH]1 587108573 BXNIVKWYNBRSFB-UHFFFAOYSA-N 356.303 5.100 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(C)c(F)cc4[nH]3)c2)c1 587160089 GEANJIIXGDMECM-UHFFFAOYSA-N 350.368 5.492 0 1 FKAF [C-]#[N+]c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587333078 HLQOEEVKPWQZOT-FYYLOGMGSA-N 373.383 5.356 0 1 FKAF C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524485 NSOYAABHSHGHLP-AREMUKBSSA-N 368.476 6.113 0 1 FKAF CC(C)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602760 YPIDERQBNVKAPL-URXFXBBRSA-N 374.436 5.295 0 1 FKAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)(F)F)s1 587624411 LGPZLSKNMVQVFI-UHFFFAOYSA-N 357.784 5.912 0 1 FKAF Fc1ccc(-c2c(-c3ccc(Cl)cc3Cl)[nH]c3cc(F)ccc23)cc1 587634725 PDYHGBQTSHXIMS-UHFFFAOYSA-N 374.217 7.087 0 1 FKAF CC1=CC[C@H]([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587815509 NDXUBWPDFWRMLF-YEWDVWPNSA-N 352.291 5.084 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]3CCCC[C@@H]32)N1 587816937 GBURXCZJTKTGRT-QPWUGHHJSA-N 366.318 5.308 0 1 FKAF CC(C)=C1CC[C@@H](C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587819240 UNWPOCBLRPALAR-QHRIQVFBSA-N 366.318 5.474 0 1 FKAF CC[C@@]1(c2ccsc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587844397 NQAMUCVYKWVKQQ-QGHHPUGFSA-N 368.315 5.146 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccccc1OC 587860233 OSWMSDYRGVYOPJ-UHFFFAOYSA-N 363.244 5.253 0 1 FKAF CCOC(=O)COc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 587920849 OSGLJGRDMIXMDM-UHFFFAOYSA-N 373.861 5.072 0 1 FKAF Cn1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)c2ccc(F)cc21 962667766 VJXZBQANAUKWQF-DEOSSOPVSA-N 356.444 5.220 0 1 FKAF CCCCCn1cc(C(=O)CC23CC4CC(CC(C4)C2)C3)c2ccccc21 1772653830 BRHHDIPEHOKFET-UHFFFAOYSA-N 363.545 6.621 0 1 FKAF CO[C@@H]1CCCc2[nH]c(=Nc3ccc(C(F)(F)F)cc3Cl)sc21 1857766277 KTVSDWQWJKDETG-GFCCVEGCSA-N 362.804 5.005 0 1 FKAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(F)(F)CC[C@]4(C)[C@H]3CC[C@]12C 2356434715 BUIQHUBDLNDWCY-DSWGTCOTSA-N 354.481 5.596 0 1 FKAF CC(=O)[C@@H]1CC[C@]2(C)[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356659889 XITWYGYWFIVTIE-PWWFALJXSA-N 356.550 5.750 0 1 FKAF CC(=O)OC=C1CC[C@@H](C)[C@@](C)(CCc2ccoc2)CC=CC=C1C(=O)O 2356694821 JRQGPOFUTKGREC-OPAMFIHVSA-N 372.461 5.053 0 1 FKAF CCC1=C[C@H](C)[C@@H]2C(C)=C[C@](C=Cc3ccccc3)(CC)[C@@](C)(C(=O)O)[C@H]12 2356778772 DGVIYEMUVWSVTP-WLZNIZTPSA-N 364.529 6.366 0 1 FKAF Cc1c(C(=O)N(C)Cc2ccccc2)nc(-c2ccccc2)c2ccccc12 13765096 GDBCZVVIDHCFJO-UHFFFAOYSA-N 366.464 5.482 0 1 FKAF CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 14255030 BEWFEAZQVVASGK-LLVKDONJSA-N 358.290 5.308 0 1 FKAF CCC[C@H](C)CCCCCCCCCCCCCCOC[C@H](O)CO 15261838 UZBZUESMKWXVBH-FCHUYYIVSA-N 358.607 5.864 0 1 FKAF biogenic COc1ccc(/C(=C(/c2ccccc2)C(F)(F)F)c2ccccc2)cc1 27997978 RBMOGTSNZBPZRL-MRCUWXFGSA-N 354.371 6.217 0 1 FKAF O=C(CCCCCCc1ccccc1)c1ncc(-c2cccs2)s1 40880067 RDARUCGPKBBHTF-UHFFFAOYSA-N 355.528 6.248 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCc1cn(CCC(=O)O)nn1 84652053 RUHGYCRMIPFBID-UBIAKTOFSA-N 359.514 5.105 0 1 FKAF CC(C)c1c(O[C@@H]2CCCC[C@@H]2C)cc(CCc2ccccc2)[nH]c1=O 95589747 TWHPGIQZGKDNQM-FXAWDEMLSA-N 353.506 5.241 0 1 FKAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc([C@H]4CCCOC4)cc3)cc12 219338706 GLPRQXFGPZJPIM-AWEZNQCLSA-N 355.821 5.081 0 1 FKAF CC(C)c1cc(-c2nc3cncc(Br)c3[nH]2)c(O)c(C(C)C)c1 586895888 BDVQHCMENXCPJK-UHFFFAOYSA-N 374.282 5.340 0 1 FKAF O=C1O/C(=C\c2nc3ccc(Oc4ccccc4)cc3[nH]2)c2ccccc21 586905799 CJHXVSCIFOMVFL-MOSHPQCFSA-N 354.365 5.024 0 1 FKAF Cc1ccc(SCc2nc3cc(C)cc(Br)c3[nH]2)c(C)c1 586963777 PEURPWFLOTZKFE-UHFFFAOYSA-N 361.308 5.543 0 1 FKAF Cc1c(-c2c(F)cccc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985470 DNFIDRSVLOFLCJ-UHFFFAOYSA-N 373.358 5.405 0 1 FKAF Fc1cc(Cl)cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587052198 YJAZHXPPONJZCK-BDAKNGLRSA-N 355.627 5.933 0 1 FKAF Clc1ccc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)cc1 587070913 IPAILAVZLUBCQV-UHFFFAOYSA-N 361.857 6.160 0 1 FKAF O=C1c2ccccc2-c2cc([C@@H]3C[C@@H]3c3ccc(F)cc3)nc3cccc1c23 587103997 LTRFNXJHHJWAGC-WOJBJXKFSA-N 365.407 5.856 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4cccc(Br)c4[nH]3)C2)c1 587131928 XEHROKBVQWGQJQ-UHFFFAOYSA-N 363.205 5.207 0 1 FKAF CC(C)(C)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587148351 BNNCGWFUSIZXQP-QFIPXVFZSA-N 373.475 6.201 0 1 FKAF Fc1ccc(/C=C(\c2nc3c(Cl)ccnc3[nH]2)c2cccs2)cc1 587164104 NXSWHZZJFLGCEO-RAXLEYEMSA-N 355.825 5.401 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(Cc1ccccc1)Cc1ccccc1)O2 587406592 SRFIJPCGDOJVGV-DEOSSOPVSA-N 371.480 5.013 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](Cc1cccc(C)c1)(C1CC1)CC2=O 587488648 JOOGFUUXRHGSTH-HSZRJFAPSA-N 350.458 5.010 0 1 FKAF CC(C)(C)c1[nH]c2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521116 AKYDMYULHJBKHT-OAQYLSRUSA-N 373.496 6.051 0 1 FKAF CC[C@H](C)Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587522290 KPVTVPPKZSOMDM-OYHNWAKOSA-N 350.458 5.449 0 1 FKAF CCCOc1ccc(CC)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522354 LHGRFSCDBWFCOI-HSZRJFAPSA-N 364.485 5.623 0 1 FKAF O=C1C[C@H](c2cc(-c3ccccc3)ccc2O)Oc2c1ccc1c2CCCC1 587534823 ZGHYKRAJYFXUOJ-XMMPIXPASA-N 370.448 5.645 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C=C2CCCCC2)N1 587816252 VWINIXYMUOYVMR-KZULUSFZSA-N 352.291 5.228 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)c2ccccc2)N1 587820065 ONMZMFCHJYKDFA-KPZWWZAWSA-N 362.286 5.141 0 1 FKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(Br)cc(C)c2[nH]1 587932273 WUMZEOIGSXUCMT-IFXJQAMLSA-N 371.278 5.088 0 1 FKAF FC(F)(F)c1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cn1 587949604 IOTRZWADPJYNMW-UHFFFAOYSA-N 369.346 5.360 0 1 FKAF CC(C)=CCCC(C)=CCN1C(=O)[C@]2(C[C@H](C)C[C@H](C)O2)c2ccccc21 1857622502 FCLSDSXDBAGLFT-NMMYMHLASA-N 367.533 5.756 0 1 FKAF CC(C)[C@@H]1CC=C2[C@H](O)CC[C@H](C)[C@]2(C)[C@@H]1OC(=O)C=Cc1ccccc1 2356430417 KSKDEVFGRYPGMM-ATMYOKBZSA-N 368.517 5.011 0 1 FKAF CC(C)[C@@H]1CC=C2[C@H](O)CC[C@H](C)[C@]2(C)[C@H]1OC(=O)C=Cc1ccccc1 2356430422 KSKDEVFGRYPGMM-MOEUDTGZSA-N 368.517 5.011 0 1 FKAF CCCCC[C@H](C)CCC[C@H](C)CCCC(C)=CCOP(=O)(O)O 2356817502 DLVQMADNSNPDGL-ROUUACIJSA-N 362.491 6.235 0 1 FKAF Cc1nc(-c2ccccc2)sc1[C@@]1(C)CC(c2cccc(F)c2)=NO1 12726881 WLQWNYOHCDKKBC-HXUWFJFHSA-N 352.434 5.297 0 3 FKAF COc1ccccc1[C@H]1CCCN1Cc1nc(-c2ccc(C)s2)oc1C 13593629 WOZVHZFFMRRFAK-GOSISDBHSA-N 368.502 5.366 0 3 FKAF CC/C(=C\c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCCO2 13606880 HIWRZIFMYAHDHT-SAPNQHFASA-N 365.473 5.187 0 1 FKAF O=C(c1ccc(NCc2ccc(F)cc2)cc1)N1CCC[C@H]2CCCC[C@@H]21 13674592 NRWSETBPHMGWLC-GCJKJVERSA-N 366.480 5.233 0 1 FKAF CCc1ccc([C@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)cc1 15205523 YFWVCTJXZMJXIK-QFIPXVFZSA-N 374.436 5.004 0 1 FKAF biogenic CC[C@@H](/C=C/c1ccccc1Br)c1ccc(OC)cc1OC 28567182 XWFYPARVTLRBEK-HBWSCVEGSA-N 361.279 5.673 0 1 FKAF C[C@H]1O[C@@H](O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc4ccccc4n3)[C@H]12 34802836 CURGTNGQWCNKJV-BBEGIRNQSA-N 363.501 5.044 0 1 FKAF C[C@@H]1CN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)C[C@@H](C)N1C 36093086 JQBCJANIMSRFBC-UJECILHKSA-N 372.915 5.080 0 1 FKAF CCCC[C@@]1(C2CC2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 36488258 XXZFRIHMYZXKQE-MRXNPFEDSA-N 360.807 5.545 0 1 FKAF CN1Cc2c(NC(=O)OCc3ccccc3)cccc2[C@H](c2ccccc2)C1 40641535 YCXQGXRGCFDGSF-NRFANRHFSA-N 372.468 5.013 0 1 FKAF CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3c(Cl)cccc32)CC1(C)C 59940971 NXUBPNABLKWHGY-QUCCMNQESA-N 372.915 5.082 0 1 FKAF O=C1c2cccc(Cl)c2C(Cc2ccc(O)cc2)c2c(Cl)cccc21 64454080 BZMYONDQEVWGLL-UHFFFAOYSA-N 369.247 5.618 0 1 FKAF CC(C)=Cc1c(O)c(C=C(C)C)c2oc(-c3ccccc3)cc(=O)c2c1O 72181127 ONTGDWGJHMZRNU-UHFFFAOYSA-N 362.425 5.718 0 1 FKAF FC(F)(F)c1ccc(-c2nsc(-c3ccc(C(F)(F)F)cc3)n2)cc1 73222606 IMTLWIQAKDILLJ-UHFFFAOYSA-N 374.309 5.910 0 1 FKAF COc1ccc([C@]23Sc4cc(C)ccc4N=C2c2ccccc2C3=O)cc1 84723052 FUEYITIIADBGOH-QHCPKHFHSA-N 371.461 5.322 0 1 FKAF O[C@]1(C(F)(F)F)CCCc2c1[nH]c1cc(Cl)c(Cl)c(Cl)c21 118719610 QGJJANJFBJTWCT-GFCCVEGCSA-N 358.574 5.214 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cncc(F)c1 141038988 OCQROMUQPJWNSS-VJLLXTKPSA-N 367.508 5.538 0 1 FKAF CCC/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255214200 GWOQCGQDMPZUMP-CACURULFSA-N 368.605 6.839 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)cc1 586881862 ZWLJLTFANHHYKG-UHFFFAOYSA-N 362.432 6.253 0 1 FKAF O=C1c2ccccc2-c2cc([C@@H]3C[C@H]3c3ccccc3)nc3ccc(O)c1c23 586991112 ISLGVLBADDPMGP-ZWKOTPCHSA-N 363.416 5.423 0 1 FKAF Cc1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1C 586995881 KKJKIRWJJRCNOF-UHFFFAOYSA-N 359.267 5.256 0 1 FKAF Cc1ccc2c3c(cc(-c4c(N)cc(F)cc4F)nc13)-c1ccccc1C2=O 586996831 SRPRJZWGHWWDEF-UHFFFAOYSA-N 372.374 5.282 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4nccc(Cl)c4[nH]3)cc2)n1 587020279 LIORLELLRAGNIY-UHFFFAOYSA-N 372.906 5.336 0 1 FKAF COc1cccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc12 587030518 GFCSJOZVDKIDPR-ZDUSSCGKSA-N 363.486 5.531 0 1 FKAF Cc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1F 587063123 PMEPHFSTTMVYTF-UHFFFAOYSA-N 350.824 5.922 0 1 FKAF Cc1cc(C)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2c1 587094966 KUUFHYRYOHBSMX-UHFFFAOYSA-N 358.285 5.884 0 1 FKAF Cc1ccc2c3c(cc(-c4cnc5cccnc5c4)nc13)-c1ccccc1C2=O 587096382 JHBGUDMHWGBCMV-UHFFFAOYSA-N 373.415 5.365 0 1 FKAF Cc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1C 587121727 FEEMSBQZFZCWKJ-UHFFFAOYSA-N 366.408 5.512 0 1 FKAF COc1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)c(F)c2)c(F)c1 587149914 WCXSIGPMMMCKIH-UHFFFAOYSA-N 370.786 5.837 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccs1)CC2=O 587494277 KOLXZNDBWUCWKZ-JOCHJYFZSA-N 364.466 5.315 0 1 FKAF O=C1C[C@](CC2CC2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587502728 SVWXJEYHBPKRSP-HSZRJFAPSA-N 366.888 5.880 0 1 FKAF Cc1cc2c(cc1C)[C@]1(CCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587535554 KSWMLNMTAIUKET-DEOSSOPVSA-N 362.469 5.216 0 1 FKAF CCc1cc(CC)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587604793 YRLWJSZQYYMBAV-QPPBQGQZSA-N 374.436 5.220 0 1 FKAF COc1ccccc1-c1[nH]c2cc(Cl)c(F)cc2c1C(=O)C(F)(F)F 587629170 XLKSJLZDDPOVJW-UHFFFAOYSA-N 371.717 5.381 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(Cl)c3)c(-c3cccnc3)c2c1 587640783 JIVXEOXULIIPGP-HNNXBMFYSA-N 360.888 7.064 0 1 FKAF CCOc1ccc(OCC)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 587777600 BPLAVFYRFCBDQS-UHFFFAOYSA-N 350.340 5.046 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C23CCC(CC2)CC3)N1 587816414 XXEOFBAIXWTYMX-UAEPRSGYSA-N 366.318 5.308 0 1 FKAF Fc1c(F)c(F)c2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1F 587959233 NVSSIYGEWQVHFS-UHFFFAOYSA-N 356.322 5.377 0 1 FKAF CCN(Cc1ccccc1)Cc1ccc(CN(CC)Cc2ccccc2)nc1 653838518 LFESROUHIAIKPE-UHFFFAOYSA-N 373.544 5.126 0 1 FKAF FC(F)(F)c1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cn1 962660013 BYGQVPABGUZHFK-FQEVSTJZSA-N 354.375 5.003 0 1 FKAF Cc1[nH]c2c(Cl)cccc2c1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963115733 XMGIYNBTONLXEW-BTYIYWSLSA-N 354.856 5.379 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc3occc3c2)c1 1772647216 QFEQRAXZWZUKKF-UHFFFAOYSA-N 362.816 6.397 0 1 FKAF Cc1ccc2c(ccn2CCC2CCN(C(=O)Oc3ccccc3)CC2)c1 1857630677 RIKVEOCRHNNKNO-UHFFFAOYSA-N 362.473 5.251 0 1 FKAF Fc1ccc(-c2nc3ccc(Cl)cn3c2Cc2cccc(Cl)c2)cc1 72137983 HFQXLFCOWOZTGX-UHFFFAOYSA-N 371.242 6.038 0 3 FKAF Cc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2ccccc2n1 596220 IMQYJJHCUIJGFP-UHFFFAOYSA-N 358.420 5.589 0 1 FKAF CC1=C(C)C[C@H]2C(=O)N(c3cc(C(C)(C)C)ccc3C(C)(C)C)C(=O)[C@H]2C1 1659286 BLRBFXKWWFDGCB-HDICACEKSA-N 367.533 5.517 0 1 FKAF O=C(NCC=C(c1ccccc1)c1ccccc1)c1cccc2ccccc12 13451884 FHUIWYYCAURNIA-UHFFFAOYSA-N 363.460 5.702 0 1 FKAF CC(/C=C/CC1(c2cc3c(cc2C)C(C)(C)CCC3(C)C)CC1)=C\C(=O)O 13487075 QCNVQJSKAXKQEF-ZFKNLEDPSA-N 366.545 6.353 0 1 FKAF C[C@@H](C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(F)(F)F 13672518 PZXYWNSQNSTWRQ-SECBINFHSA-N 362.269 5.579 0 1 FKAF C[C@@H](C(=O)OC(C)(C)C)c1ccc(-c2cc(Cl)cc(Cl)c2)c(F)c1 13672547 TVDXFZAFRUSAOI-LLVKDONJSA-N 369.263 6.245 0 1 FKAF Cn1c(C2CCCCC2)nc2c(-c3ccccc3)nc(-c3ccccc3)nc21 13686569 QVRQAJTXWKTKPX-UHFFFAOYSA-N 368.484 5.745 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC(C)C 13761110 HKYAUSBRNXNKIW-GKFVBPDJSA-N 373.625 7.294 0 1 FKAF CC(C)(C)c1cc(/C=C/c2cc(C(F)(F)F)no2)cc(C(C)(C)C)c1O 13819996 DCHZZAGSYLWIDD-BQYQJAHWSA-N 367.411 6.164 0 1 FKAF CC1=CC[C@H]([C@]2(C)Cc3c(Oc4ccccc4)cc(C(=O)O)cc3O2)CC1 26488217 ASQKJDMDXLJBKK-SBUREZEXSA-N 364.441 5.617 0 1 FKAF COC(=O)/C=C(C)/C=C/C(F)=C(C)/C=C/c1c(C)cc(C)c(Cl)c1C 27860840 LPUHHMOCHIGDHZ-UMAVUTBLSA-N 362.872 6.197 0 1 FKAF Cc1cc(-c2ccc(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C 29043419 KXMVPYRKURWIPA-LBPRGKRZSA-N 356.872 6.634 0 1 FKAF COc1ccc([C@@H]2Sc3c(Cl)cccc3-n3cccc3C2=O)cc1 29224107 OFQRSSBIOOSTFD-SFHVURJKSA-N 355.846 5.169 0 1 FKAF CCSc1nnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 49863691 CEDVMLWQKREDLS-UHFFFAOYSA-N 362.285 5.624 0 1 FKAF N=C(N)c1ccc2cc([C@@H]3C[C@H]3c3ccccc3)cc(-c3ccoc3)c2c1 58542830 YWICPAXCVQQOLK-GOTSBHOMSA-N 352.437 5.655 0 1 FKAF c1cc2cc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)C2 64624927 GQPLZGRPYWLBPW-UHFFFAOYSA-N 360.500 6.363 0 1 FKAF in-vitro CCCCC[C@H](C)NCc1coc(-c2cccc(OC(F)(F)F)c2)n1 72102267 IMTLXOVFMOTABY-ZDUSSCGKSA-N 356.388 5.299 0 1 FKAF COc1cccc(NCCC2(c3ccccc3)CC(C)(C)NC(C)(C)C2)c1 72109745 LEAZATVHWSJCHL-UHFFFAOYSA-N 366.549 5.376 0 1 FKAF Clc1ccccc1Oc1cc(NCc2cccc3ccccc23)ncn1 82068248 TVXRJYRGPJQRPP-UHFFFAOYSA-N 361.832 5.688 0 1 FKAF CN(C)c1ccc(-c2nccc(NCc3ccc(Cl)c(Cl)c3)n2)cc1 96922230 BNRHRZBSOCGATL-UHFFFAOYSA-N 373.287 5.129 0 1 FKAF Cc1ccc2c([C@@H](Nc3cccnc3)c3ccccc3Cl)c(C)[nH]c2c1 103244938 FPDIMVPBSSBDFS-QFIPXVFZSA-N 361.876 6.035 0 1 FKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(OCc3cccs3)cc21 143344370 UCCYIMFETHERPF-SFHVURJKSA-N 362.372 5.106 0 1 FKAF CCC(=O)c1cc2c(o1)C[C@@H]1CC[C@@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]1(C)C2 169319270 BRNOSSNGWQHLRG-SKYPZYDZSA-N 370.533 5.191 0 1 FKAF CN(C(=N)Nc1cccc2ccccc12)c1cccc(Oc2ccccc2)c1 299839956 UDAHQGUMOGJPIS-UHFFFAOYSA-N 367.452 6.115 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2O)c2c(n1)-c1ccccc1OC2 473117995 JPJHVNAEIJFEGB-UHFFFAOYSA-N 367.404 5.386 0 1 FKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)s1 587013776 CDLBBSWGCHFYJU-QMMMGPOBSA-N 373.375 5.250 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@H](C(C)(C)C)CC4)-c1ccccc1C2=O 587101528 UROYJKVKZPGCPY-MRXNPFEDSA-N 369.508 6.296 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](OCc1ccccc1)C3 587107051 MHNNQXJRXJYLMU-OAQYLSRUSA-N 363.416 5.260 0 1 FKAF CC(C)(C)OC(=O)N[C@H](c1nc2cc3ccccc3cc2[nH]1)C1CCCC1 587224850 HVXMXGCZAWHLGG-IBGZPJMESA-N 365.477 5.472 0 1 FKAF O=C(c1ccc(COc2ccccc2Cl)o1)c1coc2ccccc12 587280855 CVJWFODWEUGZCC-UHFFFAOYSA-N 352.773 5.489 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H]1c1ccc(OC(C)C)cc1)O2 587401039 PMDRFBZPQJBXNX-AUSIDOKSSA-N 365.473 5.036 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1ccccc1)(Cc1ccccc1)O2 587403780 QXFACXIVTUVDJU-RUZDIDTESA-N 371.480 5.157 0 1 FKAF Cc1cc(C)cc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587513368 RTUBZQZBOGWINU-DEOSSOPVSA-N 371.480 5.679 0 1 FKAF O=C(O)Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(F)c(Cl)c12 587628390 NQWIFMYOTTXUPC-UHFFFAOYSA-N 372.610 5.561 0 1 FKAF Cc1ccc2[nH]c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 587802099 JTCDYOZUPQSCFT-JEOXALJRSA-N 373.269 5.002 0 1 FKAF CCCCCC[C@H](C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587817674 DNGZYKJVWFKDJD-JCGVRSQUSA-N 356.323 5.770 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncccc1Cl 587858077 XOYZJJPUDLCDAC-UHFFFAOYSA-N 368.651 5.293 0 1 FKAF COc1cccc([C@@H](C)Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587931316 NNQLXDVWZDGJGO-KRWDZBQOSA-N 372.468 5.497 0 1 FKAF FC(F)(F)c1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cn1 587962812 ZWIXCQOIOFOUIO-UHFFFAOYSA-N 353.347 5.235 0 1 FKAF CCOc1ccc(C)cc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772578795 PJBBXXHXHMHHOA-GOSISDBHSA-N 367.470 5.124 0 1 FKAF Oc1cccc(N=c2[nH]c(/C=C/c3cccc(Cl)c3)nc3ccccc23)c1 1857589077 JPOOZPGZIUPCDN-VAWYXSNFSA-N 373.843 5.325 0 1 FKAF CCCCCCSc1cc(Cl)c(C(=O)CC[N@]2C[C@@H]2C)c(Cl)c1 1857742109 ITMOHGDZMKMQRY-YEJXKQKISA-N 374.377 5.943 0 1 FKAF CC(C)CCCCCCCCCCC=CCCC=CCCCC(=O)O 2356306479 CQSSAZSOMWFPSV-UHFFFAOYSA-N 350.587 7.691 0 1 FKAF C[C@@H]1CC[C@@H]2CC[C@@H]3C(=C[C@]4(C)[C@H](O)C[C@]5(CO)CCC(C)(C)[C@@H]5[C@@H]34)[C@@]12C 2356452367 NCEYLDMAYOKQNV-DXPANUNMSA-N 372.593 5.191 0 1 FKAF FC(F)(F)c1ccc(Nc2cc3[nH]c(-c4ccccn4)cc3cn2)cc1 74372911 PFUPVXDGANYQAC-UHFFFAOYSA-N 354.335 5.387 0 3 FKAF Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)s1 3228916 BVBRSCHCKSCQCG-SFHVURJKSA-N 354.862 5.481 0 1 FKAF COc1ccc([C@H]2C[C@@H](c3ccccc3)Oc3ccc(C(C)(C)C)cc32)cc1 13829950 HMQOODPDZMLNMI-RDGATRHJSA-N 372.508 6.648 0 1 FKAF COc1ccc([C@@H]2C[C@@](O)(c3ccccc3)Oc3cc(C)cc(C)c32)cc1 13830653 XDWDFCAXTGHAQC-URXFXBBRSA-N 360.453 5.072 0 1 FKAF C[C@H](CCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)c1ccccc1 13833022 LWVJZNVHMMYUMN-JXALWOEJSA-N 351.534 5.576 0 1 FKAF COc1ccc2c(c1)Oc1ccccc1[C@H]2SCCN1CCCCC1 25966874 PQDNFVVQGHZJES-OAQYLSRUSA-N 355.503 5.109 0 1 FKAF CCCCCCSc1nnc(-c2ccsc2)n1Cc1ccccc1 28976738 DUXJFVUHDWZHLF-UHFFFAOYSA-N 357.548 5.727 0 1 FKAF O=S(=O)(c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccccc2)c1 40900346 YMLHDSFZHXRJPK-UHFFFAOYSA-N 370.473 5.853 0 1 FKAF Cc1ccc([C@H](CCN(C)C)NC(=O)c2cccc(-c3ccccc3)c2)cc1 45286037 BWJBNDNMEHLJIV-DEOSSOPVSA-N 372.512 5.085 0 1 FKAF FC(F)(F)c1ccc(Oc2ccc(OC[C@H]3CCCCN3)cc2)cc1 49113632 MFZMQTXBPSJJSE-OAHLLOKOSA-N 351.368 5.019 0 1 FKAF Nc1sc2c(c1C(=O)c1ccccc1)-c1cccc(C(F)(F)F)c1C2 64585739 XYDLZZVMFNYFHG-UHFFFAOYSA-N 359.372 5.151 0 1 FKAF CC(C)c1c(O[C@H]2CCCC[C@@H]2C)cc(Cc2ccc(F)cc2)[nH]c1=O 95591878 MUDYHJQHRRARHV-KXBFYZLASA-N 357.469 5.186 0 1 FKAF Oc1ccc(-c2oc(-c3[nH]c(Cl)c(Cl)c3Cl)nc2Cl)cc1 238769686 KCIGFAXMEARCAZ-UHFFFAOYSA-N 364.015 5.656 0 1 FKAF c1ccc(Sc2ccc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c3c2)cc1 586888698 LQMGDXQKTQLCCX-YKSBVNFPSA-N 368.505 6.086 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(Br)cccc4[nH]3)cc2)o1 586904091 ZEEYVKGSJHJXBP-UHFFFAOYSA-N 353.219 5.561 0 1 FKAF Cc1cc(Br)cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587026466 UQEJRCHPDXDSGA-UHFFFAOYSA-N 369.287 6.029 0 1 FKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(F)c2[nH]1 587034574 PDAXQNVWOZYOTR-OAHLLOKOSA-N 367.449 5.188 0 1 FKAF Oc1cccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587072511 YJHUBYCWERHPKS-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF Fc1cc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2cc1F 587082672 ARTQJZXFLAYZPT-UHFFFAOYSA-N 350.155 5.363 0 1 FKAF CSC(=Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)SC 587102410 PQIOOLGLTKJNTN-UHFFFAOYSA-N 363.507 5.779 0 1 FKAF Cc1cc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)n1 587106015 KBNPKHJEQRGBOA-UHFFFAOYSA-N 350.421 5.433 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OC(C)(C)C)CC2=O 587487935 WMEDEOOEDADJBQ-HXUWFJFHSA-N 354.446 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC(C)C)cc1)CC2=O 587488077 YAIIPSJQBPUCPJ-JOCHJYFZSA-N 354.446 5.013 0 1 FKAF O=C1C[C@H](c2c(Cl)[nH]c3ccccc23)Oc2c1ccc1c2CCCC1 587497965 HROLSNAKPTXQEI-GOSISDBHSA-N 351.833 5.407 0 1 FKAF CC[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504822 GIZQFWJNMYFFDM-OAQYLSRUSA-N 374.402 5.855 0 1 FKAF C[C@@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587510356 YRBSKIPVIHIBBH-FQEVSTJZSA-N 361.268 5.753 0 1 FKAF C[C@@]1(c2cccc(-n3cccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587515015 HYYSXSDEFTVYOL-DEOSSOPVSA-N 357.453 5.237 0 1 FKAF O=C1C[C@H](c2ccc(Oc3ccccc3)o2)Oc2c1ccc1c2CCCC1 587531557 HDHKXNXGYGLTTP-OAQYLSRUSA-N 360.409 5.657 0 1 FKAF CC(C)=CCC[C@@H](C)C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601761 HASALYPFBNNQBD-MAODMQOUSA-N 366.457 5.495 0 1 FKAF CCC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc([C@@H](C)CC)cc12 587639953 AYONENLYNUXPIU-ZDUSSCGKSA-N 373.418 6.960 0 1 FKAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587813168 BRESGYDUVXCLEV-ORAYPTAESA-N 362.286 5.003 0 1 FKAF O=C(CCc1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21 653702300 SSOOALFUMBNHRK-UHFFFAOYSA-N 365.885 6.102 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2cccc(C)c2C)(C2CCCC2)N1 962943376 GRPJELOSVDDGOP-RXFWQSSRSA-N 372.556 6.143 0 1 FKAF C[C@@]1(c2cc3cc(Cl)ccc3o2)c2ccc(F)cc2C[C@@H]2CCCN21 963110107 QKRNREFYODLNOT-UWJYYQICSA-N 355.840 5.509 0 1 FKAF O=C(CCCC/C=C/c1cccc(OCc2ccccc2)c1)N1CCCC1 1857594121 QKDOASUFSHLOTI-NYYWCZLTSA-N 363.501 5.462 0 1 FKAF CC1=CCC[C@]2(C)CC[C@@H]3CCC(C)(C)[C@H](O)[C@@H]3[C@@H]2CCC(C)=CCC1 2356580576 YCOBKYRODIQCDT-FPDJOHNTSA-N 358.610 7.063 0 1 FKAF O=C(Nc1ccc(NC2CCCC2)c(Cl)c1)c1cc(Cl)ccc1O 2382239448 WZWLWPBBIWIYMK-UHFFFAOYSA-N 365.260 5.306 0 1 FKAF CC[C@H](C)c1nc2ccsc2c(N2CCOC2=O)c1-c1ccccc1 12477745 USCNRXIGFDMTBY-ZDUSSCGKSA-N 352.459 5.433 0 3 FKAF COc1ccc(-c2nc3cccc(C)c3nc2-c2ccc(OC)cc2)cc1 2950767 SHAJRNFWNQFDPN-UHFFFAOYSA-N 356.425 5.289 0 1 FKAF C[C@@H]1Cc2c([nH]c3ccccc23)C2(CCC(c3ccccc3)(N(C)C)CC2)O1 3950143 ANUHWKMJZIWIFE-SGAUDOEVSA-N 374.528 5.356 0 1 FKAF COC1(OC)CCCCCCCCC(OC)(OC)CCCCCCCC1 5955676 ANUXZHKUXMFHJH-UHFFFAOYSA-N 372.590 6.220 0 1 FKAF c1ccc(-c2ccc(-c3[nH]c(-c4ccccc4)nc3-c3ccncc3)cc2)cc1 13798196 QSXGIABTGIJOJX-UHFFFAOYSA-N 373.459 6.473 0 1 FKAF C[C@H](Cc1cccc(OCc2ccc3ccccc3n2)c1)C[C@@H](C)C(=O)O 13917914 JVBGKXGXUZCESP-DLBZAZTESA-N 363.457 5.103 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H]1CC(=O)C[C@@H](CC(=O)O)C1 40505860 VBWHTIYEOJJJIV-QJRNGINJSA-N 358.522 6.032 0 1 FKAF O=C(c1ccc(-c2cccc(Cl)c2)cc1)N(CC1CC1)C[C@H]1CCCO1 40914427 BYXAARAKDDDQLH-OAQYLSRUSA-N 369.892 5.038 0 1 FKAF CCCCCn1nc(-c2ccc(OCc3ccccc3)cc2)oc1=S 45365399 ZCSOXFXVDBBZOH-UHFFFAOYSA-N 354.475 5.642 0 1 FKAF O=C(CCc1cccc(Oc2ccccc2)c1)Nc1cccc(Cl)c1 82158441 GSASVBXJXFQKNE-UHFFFAOYSA-N 351.833 5.704 0 1 FKAF CCCCNc1ncc(-c2ncc(CC)s2)c(-c2ccc(F)cc2)n1 82164015 BNAVFZLDQGJREB-UHFFFAOYSA-N 356.470 5.181 0 1 FKAF Cn1c2ccccc2c2cc([C@@H]3CC(c4ccc(F)c(F)c4)=NN3)ccc21 84689987 YFBGFKYAYNMOLR-IBGZPJMESA-N 361.395 5.048 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)c2)c1 95557213 ATZXSWAVWSHCSH-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF Fc1ccc(COc2ccc(/C=C/CCn3cnc4ccccc43)cc2)cc1 96938095 YKFBXSDVPDDRNK-HWKANZROSA-N 372.443 5.858 0 1 FKAF O=[N+]([O-])c1ccc([C@@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1 111919263 QHRCZGQDROTWOC-IBGZPJMESA-N 350.399 5.546 0 1 FKAF Cc1cc(-c2cccnc2Oc2ccc(Nc3ccc(F)cn3)cc2)ccn1 148297851 JAVRQEODRDFCRN-UHFFFAOYSA-N 372.403 5.522 0 1 FKAF CN1c2ccccc2C(n2c3ccccc3c3ccccc32)c2ccccc21 169374400 RRXQZNGWSYEMOQ-UHFFFAOYSA-N 360.460 6.514 0 1 FKAF Cc1ccc2nc([C@H](C)O)n(CCCCOc3ccc(C)c(Cl)c3)c2c1 473247734 GMTLWIWKNUOUKH-INIZCTEOSA-N 372.896 5.219 0 1 FKAF Cc1ccc2c3c(cc([C@@H](CC(C)C)CN(C)C)nc13)-c1ccccc1C2=O 586998006 XJISSBGROGRGEW-KRWDZBQOSA-N 372.512 5.446 0 1 FKAF Brc1nccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587025681 MMGWMOZBBPLISN-UHFFFAOYSA-N 356.248 5.116 0 1 FKAF FC(F)(F)c1ccc2ncc(-c3nc4cc5ccccc5cc4[nH]3)cc2c1 587113567 VGCIVDHZHXRGFD-UHFFFAOYSA-N 363.342 5.950 0 1 FKAF FC(F)(F)c1ccc2ncc(-c3nc4ccc5c(c4[nH]3)CCCC5)cc2c1 587113737 YKTGCBSOKXWYGC-UHFFFAOYSA-N 367.374 5.676 0 1 FKAF CCc1ccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2c1 587121862 OAHDZVZVOXWSMS-UHFFFAOYSA-N 371.362 5.548 0 1 FKAF Brc1cnc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2c1 587206992 AQORMKVZXMSAAR-UHFFFAOYSA-N 361.242 5.311 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](c1ccccc1)C3 587208283 URMVEXJACFQVRH-KRWDZBQOSA-N 361.444 5.719 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3)s1)CC2=O 587494934 OBQAHBWURFRIKI-IBGZPJMESA-N 364.466 5.780 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccncc3)c(CNC(=O)OC(C)(C)C)[nH]c12 587625013 YHPPZEIWVUYYQH-UHFFFAOYSA-N 371.868 5.216 0 1 FKAF Cc1cccc(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587696353 TXFQYSLILAGMJR-BMLIUANNSA-N 368.677 5.174 0 1 FKAF Cc1cccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)[nH]c12 587806794 VUWNMVFHHBLBHB-WLRWDXFRSA-N 373.269 5.002 0 1 FKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@@H](OC)c1cccc(C)c1 653746400 JJHGIVMKHINQLJ-IBGZPJMESA-N 357.837 5.042 0 1 FKAF COc1nc2ccccc2cc1/C=C/c1noc(-c2cccc(Cl)c2)n1 653799619 UMBCYIPGYRVTLD-MDZDMXLPSA-N 363.804 5.117 0 1 FKAF Oc1ccccc1-c1cc(-c2ccc(F)cc2)nc2c1Cc1c(O)cccc1-2 1857551177 YYPABFRWKPGIIE-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CN1C(=CC=C2C=Nc3ccccc32)C=C(N2CCCC2)c2ccccc21 1857611242 ZSJIHSFXINCLSL-UHFFFAOYSA-N 353.469 5.257 0 1 FKAF O=[S@@](Cc1ccccc1F)c1ccc2cc(Br)ccc2c1 1857655554 AYMHNNFDOALVQT-NRFANRHFSA-N 363.251 5.049 0 1 FKAF CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1 1911591121 QWOSQZCKUTULAW-VVFVXTANSA-N 357.582 6.657 0 1 FKAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=C5C=CC=C5)CC[C@]4(C)[C@H]3CC[C@@]21C 2356488997 GNDKEWBKRBOJSG-CVIYXSBDSA-N 362.557 6.577 0 1 FKAF C[C@]12C[P@](=O)(c3ccccc3)C[C@@H]1c1ccccc1[C@@H]2c1ccccc1 5852947 USAJZDLDKCTBFR-APFRJGHOSA-N 358.421 5.624 0 1 FKAF CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3ccc(O)cc3)cc12 14945736 LTQLIQSYQBQFSO-UHFFFAOYSA-N 361.367 5.232 0 1 FKAF S=C(Nc1ccccc1)Nc1cccc(-c2nc3ccccc3s2)c1 23103672 GJBGACNOONSOEJ-UHFFFAOYSA-N 361.495 5.772 0 1 FKAF CC(/C=C/C1=C(c2ccc3c(c2)C(C)(C)CCC3(C)C)CCC1)=C\C(=O)O 26476005 VYBMNAKWMZVNRX-WDWAOICLSA-N 364.529 6.560 0 1 FKAF CCCCC[C@@H](C)SC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28097965 JPUVEYMMQIVSGF-FMUBAJRSSA-N 368.583 5.683 0 1 FKAF COc1cccc(N(CC2CCCC2)C(=O)Nc2ncc(Cl)s2)c1 28122998 YTVMPBRHRLFYEL-UHFFFAOYSA-N 365.886 5.034 0 1 FKAF Clc1ccc(Nc2nnc(Cc3c(Cl)cccc3Cl)o2)cc1 28862855 GFTIYWQSVDCQOG-UHFFFAOYSA-N 354.624 5.364 0 1 FKAF O=C(CCCCCCc1ccccc1)c1ncc(-c2ccc(F)cc2)o1 35259929 TYWVRNPNBJLNRH-UHFFFAOYSA-N 351.421 5.857 0 1 FKAF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccco1 36474299 YSEDZWQJWIOUEU-UHFFFAOYSA-N 357.885 5.195 0 1 FKAF C/C1=C\CC(C)(C)C[C@@H](OC(=O)/C=C/c2ccc(O)cc2)C/C(C)=C/CC1 45287167 SPBVSJHMHZCQRT-WEOKXERDSA-N 368.517 6.200 0 1 FKAF CCN(CC)C[C@@H](O)c1cc(-c2ccc(C)cc2)nc2c(C)cc(C)cc12 45302855 OUVRMVVWPYKHHU-HSZRJFAPSA-N 362.517 5.202 0 1 FKAF COc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(C)c2)n1 59240270 VXALHYHCRPZXOC-UHFFFAOYSA-N 374.415 5.835 0 1 FKAF CO[C@H](C1CCCCC1)[C@@H](C)/C=C\CC(=O)OCCCc1ccccc1 73123349 WFDPQRQYLWKFNQ-QXGKIFSGSA-N 358.522 5.340 0 1 FKAF O=C(Nc1ccc(/C=C/c2ccc(O)cc2)cc1)Nc1ccc(F)cc1F 89455934 XGRGUYGDBMVDCU-OWOJBTEDSA-N 366.367 5.485 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 100225464 QBEFIFWEOSUTKV-FGTMMUONSA-N 370.577 7.457 0 1 FKAF CCCC[C@@]12Cc3ccccc3[C@H](O1)c1c(cc(-c3ccccc3)oc1=O)O2 102811197 JYTKYEDYGNDYLU-UPVQGACJSA-N 374.436 5.248 0 1 FKAF O[C@H](C[C@H]1CCCCN1)c1cc(-c2ccccc2)nc2c(Cl)cccc12 169334666 OSIKORCARZAAQO-IIBYNOLFSA-N 366.892 5.121 0 1 FKAF CC(C)=CCc1c(O)cc(/C=C/c2ccc(O)cc2)c(CC=C(C)C)c1O 205415232 FBMXGLQFSZAMOL-JXMROGBWSA-N 364.485 5.991 0 1 FKAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3cccc(F)c23)c2ccccc2)c1 218338128 JYANWVKKSOLFHG-JOCHJYFZSA-N 374.415 5.352 0 1 FKAF CC(C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 257512289 PISAKMAGVQHRRZ-DOHVNCIHSA-N 370.621 6.775 0 1 FKAF endogenous,in-man CCCCC[C@@H]1Cc2c(cc3c(c2O)C2=C(CC[C@@H](C)C2)C(C)(C)O3)[C@H]1C 299849640 OULDIDDGYPPUQU-IXDOHACOSA-N 368.561 6.993 0 1 FKAF FC(F)Oc1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 314307501 ZGMIRBALLPPJSZ-UHFFFAOYSA-N 373.584 5.247 0 1 FKAF CC[C@@]1(c2ccc3ccccc3c2)Sc2ccccc2-n2cccc2C1=O 473090584 WNDYGGFIIJJXGB-DEOSSOPVSA-N 369.489 6.224 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(Br)cc2[nH]1 586878384 GMZMKNLDSWAEOX-UHFFFAOYSA-N 363.258 5.968 0 1 FKAF Cc1ccc(/C=C/c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586990734 FZKPLWCYLHEUTJ-ZHACJKMWSA-N 363.416 5.631 0 1 FKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C\c3ccsc3)nc2c1 587025729 NMUGKLVXIXTWGO-UPHRSURJSA-N 362.298 5.832 0 1 FKAF Cc1ccc2c(ccc3nc(CCCOc4ccc(Cl)cc4C)[nH]c32)n1 587066800 RRHIZCMIAJZERN-UHFFFAOYSA-N 365.864 5.393 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(Cl)cc1C3 587103156 FLYYCVCAKMRCDH-UHFFFAOYSA-N 353.808 5.671 0 1 FKAF Cc1cccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587109192 CEVLWDBVPZNCTE-UHFFFAOYSA-N 358.285 5.500 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(F)cc3[nH]2)c1 587195909 OAWUFVKZCZHLJM-UHFFFAOYSA-N 355.413 5.049 0 1 FKAF CCCCCC1=C(C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587207436 KSESWVXOKOVRLR-UHFFFAOYSA-N 353.465 6.356 0 1 FKAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)o1 587349834 GBCXQQVKELROGQ-RBBKRZOGSA-N 366.388 5.015 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)ccc1SC(C)(C)C)O2 587385840 QPTSYQDIBUZXHR-OAQYLSRUSA-N 373.493 5.488 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)C)cc1)(c1cccnc1)O2 587395364 QIHJAWHKRXWGQW-DEOSSOPVSA-N 372.468 5.005 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1c1ccccc1)CC2=O 587485558 VYALDRAOFDWOKL-WMZHIEFXSA-N 350.458 5.407 0 1 FKAF O=C1C[C@H](c2ccc([C@@H]3CCCO3)s2)Oc2c1ccc1c2CCCC1 587532291 PGGKPPNGCMXMBS-ZWKOTPCHSA-N 354.471 5.185 0 1 FKAF CC(C)(c1ccccc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600027 KGKVXDVTNKYMAL-RDPSFJRHSA-N 374.436 5.090 0 1 FKAF C[C@@]1(c2cccc(C3CC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602067 IOZTVTALIMJASX-URXFXBBRSA-N 372.420 5.147 0 1 FKAF CCOC(=O)c1c(-c2ccc(F)c(Cl)c2)[nH]c2c(C)cc(Cl)cc12 587624339 GYELAYZMCYIGPQ-UHFFFAOYSA-N 366.219 5.766 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)F)cc2)N1 587715733 IDXKUFXMRRDRGG-JDNHERCYSA-N 370.212 5.149 0 1 FKAF CC/C(=C/c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(C)cc1 587967630 PHJXQABGWSQWCJ-WQLSENKSSA-N 364.798 6.494 0 1 FKAF O=C(c1cc(F)c(Cl)cc1Cl)c1nccc2c1[nH]c1ccccc12 653805036 WKWKOMOPKDWMKH-UHFFFAOYSA-N 359.187 5.393 0 1 FKAF Cc1cccc2c1OCCC[C@]21NCCc2cc(-c3ccccc3)ccc21 962665373 KGENHNZMZVSOBA-RUZDIDTESA-N 355.481 5.224 0 1 FKAF CC(C)CC[C@@]1(C(C)(C)C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962694873 FFIXQDSAYDYUKC-VGSWGCGISA-N 363.586 5.867 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2c(Cl)[nH]c3ccccc23)N1 962945888 HGIRAHKLEJWTEJ-MCMMXHMISA-N 363.892 5.490 0 1 FKAF COc1cc(OC)cc(-c2cc3cc(C)c4c(c3o2)CC=C(C)CO4)c1 2356574088 MQEQHGGPAYLCTD-UHFFFAOYSA-N 350.414 5.307 0 1 FKAF Cc1ccc(Nc2nc(-c3ccc(-c4ccccn4)s3)cs2)nc1 13141390 KKMYBZJHGAZKFE-UHFFFAOYSA-N 350.472 5.381 0 1 FKAF C=CCSCC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947072 CXNFNILHSODEJG-PJIZGREPSA-N 370.558 5.297 0 1 FKAF CCCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1 28568245 NAJNBKZODYMPGW-QUURXOELSA-N 365.561 5.793 0 1 FKAF Fc1cc(Cl)ccc1CN1CCC(NCC2=CCCCCCC2)CC1 40395653 YJVLVRJBNDZAOW-UHFFFAOYSA-N 364.936 5.314 0 1 FKAF c1ccc(Nc2c3ccccc3nc3sc(N4CCCCC4)nc23)cc1 40880307 GVWGTNNRTCXSFB-UHFFFAOYSA-N 360.486 5.578 0 1 FKAF Clc1ccc([C@H](NCCc2c[nH]c3ccccc23)c2cccnc2)cc1 72101560 ZCVKSSVHTLGOKT-QFIPXVFZSA-N 361.876 5.138 0 1 FKAF CC[C@H](C)NC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1 84688618 GZBMFPCVMJIDLD-NRFANRHFSA-N 365.520 6.520 0 1 FKAF O=C(C[C@@H](c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12)c1ccccc1 138533605 VUGHBGNVCZMEAN-FQEVSTJZSA-N 370.408 5.481 0 1 FKAF CCC/C=C(\C)CSC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169344118 OISADBQASBHBLJ-DPJDSMFISA-N 366.567 5.461 0 1 FKAF Cc1ccccc1CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 299819098 BGFPWUFIUVVIJM-UHFFFAOYSA-N 371.524 5.143 0 1 FKAF Cc1c(-c2cccc(F)c2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988799 RCEBQSODBXMTOY-UHFFFAOYSA-N 373.358 5.405 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4cc(F)c(C)cc4[nH]3)cc2)n1 587020361 PGMIZAGVIMEIQC-UHFFFAOYSA-N 369.490 5.735 0 1 FKAF COc1cc(-c2nc3cc(C)cc(C)c3[nH]2)cc(Cl)c1OCC(C)C 587046584 XEJFYHZYDJDPSZ-UHFFFAOYSA-N 358.869 5.544 0 1 FKAF COc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1OC 587052148 WZQIFTQUORILMF-VHSXEESVSA-N 363.244 5.158 0 1 FKAF Cc1c(Cl)ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064123 BDIUVSJCDWZREE-UHFFFAOYSA-N 373.239 6.017 0 1 FKAF COc1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cc1Cl 587085407 QYORZQUPFVSYQX-UHFFFAOYSA-N 371.227 5.002 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H]1CCCC[C@@H]1CC4)-c1ccccc1C2=O 587100316 GGXBJWKNVHEJBN-CVEARBPZSA-N 353.465 5.975 0 1 FKAF O=C1c2ccccc2-c2cc(-c3c(F)cc(F)cc3F)nc3cccc1c23 587104635 ZRCJATDWPMSUAL-UHFFFAOYSA-N 361.322 5.531 0 1 FKAF Fc1cc(Cc2nc3ccc4ncccc4c3[nH]2)ccc1-c1ccccc1 587144806 BDWZYMWJBIEQPR-UHFFFAOYSA-N 353.400 5.508 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(C)c(C)c3[nH]2)c1 587159197 MMGXKKADYJCACY-UHFFFAOYSA-N 360.432 5.585 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cncc(Cl)c4[nH]3)c2)c1 587160559 WAJCXRRCFYWICT-UHFFFAOYSA-N 353.784 5.093 0 1 FKAF CCCc1c(CCCCC(=O)O)nc2cccc3c2c1-c1ccccc1C3=O 587207688 VKKNBIORKZREOG-UHFFFAOYSA-N 373.452 5.196 0 1 FKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587241805 JWPJZCYSZJUBLM-UHFFFAOYSA-N 362.260 5.521 0 1 FKAF CC1(C)CC(C)(C)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354877 OXHNALBCUGIMNV-CVDCTZTESA-N 368.448 5.475 0 1 FKAF CCC[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355839 WTLRXHFFRHEMNH-HNKPZJSLSA-N 368.448 5.619 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C(C)(C)C)C3)c1 587367416 PQEWRIGPQNEPLN-SFHVURJKSA-N 357.453 6.342 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCCCCCCCCC(C)C)O2 587404671 GUCRWEWKSGBHRS-LJQANCHMSA-N 359.554 6.468 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(SC(C)(C)C)cc1)[C@@H](C2)C3=O 587447974 GWMGSVFUHROKSQ-JXFKEZNVSA-N 354.471 5.075 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c3c(Cl)cccc13)CC2=O 587462172 PLSWGRXAMQGQIV-SFHVURJKSA-N 369.848 5.494 0 1 FKAF C[C@@]1(c2ccc3c4c(cccc24)CC3)CC(=O)c2ccc3c(c2O1)CCCC3 587525245 RGZQCCDZICOFDJ-SANMLTNESA-N 368.476 5.698 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc4ccccc4c3)c2c1 587642984 QNMYFASILSGQJB-HNNXBMFYSA-N 356.469 6.395 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2Cl)N1 587731417 LVEXAECHMUVYRL-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587841784 CKUHFVOFGPYZHY-XYZCENFISA-N 368.315 5.064 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cs2)N1 587844474 ARUAYBXAWXAJHQ-ANRSDYALSA-N 374.706 5.101 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2)cc1 587934983 JZQZKLBKQBFHKD-UHFFFAOYSA-N 372.424 5.067 0 1 FKAF CCCC/C=C/c1nc2c(Br)ccc(Br)c2[nH]1 587965316 JQHQEMHAZQYNLF-AATRIKPKSA-N 358.077 5.291 0 1 FKAF COc1ccc2c(c1OC)[C@H]([C@@H](CC(C)C)c1ccccc1)N(C)[C@H](C)C2 962616759 AODUIBNRHSWRTN-MONBJTKQSA-N 367.533 5.451 0 1 FKAF CCCc1cc(O)ccc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 1772593618 VMAFVCOCDIQPPK-UHFFFAOYSA-N 368.440 5.431 0 1 FKAF COc1cccc(NCC2(c3ccnc(-c4ccccc4Cl)c3)CC2)c1 1857590705 ZPORYJMUJPJJSP-UHFFFAOYSA-N 364.876 5.554 0 1 FKAF Clc1ccc2c3c([nH]c2c1)CN(c1nc2ccc(Cl)cc2s1)CC3 1857613535 LQBQOJTYZFOMMX-UHFFFAOYSA-N 374.296 5.647 0 1 FKAF CC(=O)Oc1c(O)cc(O)cc1CC=C(C)CCC=C(C)CCC=C(C)C 2356726403 ZUHZDCFUDNTXNH-UHFFFAOYSA-N 372.505 5.985 0 1 FKAF Cc1ccc2nc(-c3ccco3)c(Cc3ccccc3C(F)(F)F)n2c1 199371946 SCKIVHYJJGOKBI-UHFFFAOYSA-N 356.347 5.512 0 3 FKAF Cc1c(C(=O)NCc2ccccc2)nc2ccccc2c1-c1ccccc1F 13525335 ZAQVSWUKWOBQNH-UHFFFAOYSA-N 370.427 5.279 0 1 FKAF CCCCCCN1CCC(COC(c2ccccc2)c2ccccc2)CC1 25998450 UBGXBGOIGQWZJE-UHFFFAOYSA-N 365.561 6.085 0 1 FKAF Nc1ccc(-c2cc(Cl)cc(Cl)c2)cc1-c1cc2ccccc2[nH]1 45229857 MTHGWTGJJIEGEI-UHFFFAOYSA-N 353.252 6.391 0 1 FKAF CCCOc1cc2c(c(OCCC)c1)C(=O)O[C@H](C)CCCCCCC2 66073713 HKFIJTZTFNOYAV-QGZVFWFLSA-N 362.510 5.706 0 1 FKAF COc1ccccc1N(CCCCCC1CCCCC1)c1ccc[n+](C)c1 66166943 DKDFEJYPDAPYNU-UHFFFAOYSA-N 367.557 5.799 0 1 FKAF CCN(CC)C(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1 68572379 CQUIDNAPORIIOK-UHFFFAOYSA-N 374.553 5.195 0 1 FKAF biogenic O=C(c1cccc(Cl)c1)N1CC[C@@H]2C[C@@H]1c1cc(-c3ccccc3)ccc12 101841510 SKLOZBBNUGXGTN-WZONZLPQSA-N 373.883 6.082 0 1 FKAF Cc1ccc(-c2[nH]nc3c2[C@@H](c2cccs2)C2=C(O)CCCC2=N3)cc1 103564089 AXQQGEOAGWAMOQ-SFHVURJKSA-N 361.470 5.661 0 1 FKAF CC(C)Cc1ccc(C2=C/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)cc1 210754739 OPCYGCQJDWJEIA-LFIBNONCSA-N 373.279 6.173 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@@]4(C)[C@@H]3CC[C@@]12C 253921131 RPKLZQLYODPWTM-QVSPASHCSA-N 360.582 6.536 0 1 FKAF Cc1cccc(Nc2ccccc2C(=O)OC/C=C/c2ccccc2)c1C 473151223 OIMWPABFDPKTSR-UKTHLTGXSA-N 357.453 5.917 0 1 FKAF CC[C@]1(C)C[C@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 586887299 FZRRUJIDGSMDLO-APPDUMDISA-N 351.288 5.264 0 1 FKAF CC(C)c1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(O)c(C(C)C)c1 586896815 QQVAFVYVCTZHKH-UHFFFAOYSA-N 364.823 6.114 0 1 FKAF COc1cc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2cc1Cl 587013106 HQDALVSBRNQYAQ-UHFFFAOYSA-N 369.877 5.632 0 1 FKAF Cc1nc(COc2cccc(-c3nc4cccc(Cl)c4[nH]3)c2)cs1 587020293 LZCCXVUDCVFGLU-UHFFFAOYSA-N 355.850 5.227 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cnc3ccccc3c2[nH]1 587073303 BJHUDMFLIDTMGZ-UHFFFAOYSA-N 369.855 6.407 0 1 FKAF C[C@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccccc1C(F)(F)F 587099006 VQASBXGANIQUJE-ZETCQYMHSA-N 360.713 5.665 0 1 FKAF Fc1c(F)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(F)c(F)c1S 587135358 XRGGZSWXCPOXNG-UHFFFAOYSA-N 368.689 5.007 0 1 FKAF Cc1cc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2cc1Br 587151041 PJAHROBXAGLSRG-SECBINFHSA-N 367.193 5.052 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587156699 XXYAOYJFAPDIQO-CQSZACIVSA-N 370.371 5.844 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(OC(C)C)cc2[nH]1 587240663 NMPXBZAIAQTUEW-UHFFFAOYSA-N 373.456 5.769 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccnc2C3)c1 587363688 SSLAROVBRMEMAB-UHFFFAOYSA-N 364.404 5.623 0 1 FKAF C[C@]1([C@H]2C[C@@H]2c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587506619 KZMKRLKZVJBXBM-ZRCGQRJVSA-N 350.433 5.232 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C(C)=O)c2c1 587643922 YRZDTFUGKCXONN-GFCCVEGCSA-N 359.391 6.570 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2Cl)N1 587723303 WQGKCGVLEUAJOI-ZKANADHPSA-N 372.640 5.004 0 1 FKAF CC[C@@H]1CCC[C@H]([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 587823743 RGPGLNKOPQPNPW-JPVZDGGYSA-N 354.307 5.380 0 1 FKAF CCCC[C@@H]1CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824605 XSVBIEPXSSZWDA-DFHBCGBQSA-N 354.307 5.308 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2)c1 587933103 JYRSXWGUNRFSTJ-UHFFFAOYSA-N 370.452 5.490 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(F)c(F)cc3[nH]2)cc1 587934374 CUFVCTPSRQLTCF-FQEVSTJZSA-N 350.368 5.030 0 1 FKAF CCOC(=O)c1cc(C)n(CCCc2ccc(Cl)c(Cl)c2)c1C 587942872 DNODAXYBPSSSTR-UHFFFAOYSA-N 354.277 5.221 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587951854 JACCESAAUIXLHX-MKBNYLNASA-N 372.456 6.221 0 1 FKAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(Sc5ccccc5)cc4[nH]1)(C3)C2 587969609 QTLHRWBMYAPKLO-YVZKWSQKSA-N 374.509 5.361 0 1 FKAF c1cncc(CN2CCc3sccc3[C@H]2c2cc3c(s2)CCCC3)c1 962997183 KOYHLMFWIFDNTG-NRFANRHFSA-N 366.555 5.231 0 1 FKAF Cc1c([C@@H]2c3c(F)cccc3C[C@H]3CCCN23)[nH]c2c(Cl)cccc12 963113576 URHFVAFWMGOHAZ-SZNDQCEHSA-N 354.856 5.379 0 1 FKAF CCCOc1cccc(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)c1 1772624733 YVIAOFRDMYQIBB-IBGZPJMESA-N 367.470 5.206 0 1 FKAF CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)oc3ccccc23)cc1 1857572216 WDMMMXVLFPOMGA-UHFFFAOYSA-N 366.413 5.309 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)nc3c2[C@@H](O)c2ccccc2-3)cc1 1857746504 ATTCLOPQLOHOAE-DEOSSOPVSA-N 351.405 5.183 0 1 FKAF O=C(CN1[CH]C=CC(Cc2ccccc2)=C1)c1ccc(Cl)c(Cl)c1 2356812526 ZCSCUEOWQLJFKK-UHFFFAOYSA-N 357.260 5.336 0 1 FKAF CN1C[C@@H]2[C@@H](c3ccccc3)C3(c4ccccc4)CC2(C3)[C@H]1c1ccccc1 8679902 GCILWQXCVMXYDE-CAOORNBYSA-N 365.520 5.805 0 3 FKAF COc1ccc(-c2nc3ccc(C)cn3c2CC2CCCCC2)cc1OC 72136343 WWVBRWLOTBTDLA-UHFFFAOYSA-N 364.489 5.450 0 3 FKAF Cc1ccc(/C=C/C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 6221211 HJGZMCDXFPCHPY-MDZDMXLPSA-N 362.498 5.696 0 1 FKAF C[C@@H](O[C@H]1CCCN[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1 26747426 UQTRGKPOVUCKIC-VMDGZTHMSA-N 350.289 5.564 0 1 FKAF CC(=O)Oc1c(-c2ccc(F)cc2)c(C(C)C)c(O)c(C(C)C)c1C(C)C 26816800 KXIOYQBKPQECOU-UHFFFAOYSA-N 372.480 6.494 0 1 FKAF COc1ccc(O)c(OC)c1CC1=C(C)CC[C@@H]2C(C)(C)CCC[C@]12C 29571654 MITSAYBNJONOCW-NFBKMPQASA-N 358.522 5.895 0 1 FKAF CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2 66123390 BMSQOGZGGZOEOI-UHFFFAOYSA-N 363.888 6.260 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C(=O)NC(=O)[C@@H]4[C@@H]3CC[C@@]21C 72175981 UTILGGZVZJVYGU-UTYKDTIQSA-N 371.565 5.110 0 1 FKAF CCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(Cn3cccc3)n12 72179539 XLXUNXQYOVIPCM-UHFFFAOYSA-N 373.481 5.465 0 1 FKAF CC(C)NO[P@@]1(=O)C=C(c2ccccc2)c2ccc(C(C)(C)C)cc2O1 82052894 CDFMHECLCRTQRX-AREMUKBSSA-N 371.417 5.888 0 1 FKAF CC(=O)O[C@H](C/C(C)=C/C(=O)O)[C@]1(C)[C@H]2CCCC(C)(C)C2=CC[C@H]1C 96933125 RPDYJAJHHFYDMP-DKKMUQDGSA-N 362.510 5.138 0 1 FKAF Clc1ccc(COc2ccccc2CCc2ccccc2)c(Cl)c1 169311019 IGZQJKHECSMYME-UHFFFAOYSA-N 357.280 6.358 0 1 FKAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)c3ccccc3)ncc2c1 169699921 VRQVVSIPDIPKOP-UHFFFAOYSA-N 356.400 5.602 0 1 FKAF c1ccc(COc2ccc3[nH]c(-c4ccc(C5CCC5)cc4)nc3c2)cc1 586880618 NXZWNCZITRQAIO-UHFFFAOYSA-N 354.453 6.076 0 1 FKAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 586887985 JXHNKVVCBKMCSG-QFYYESIMSA-N 368.786 5.381 0 1 FKAF Clc1ccc(-c2nc(-c3nc4ccc5ncccc5c4[nH]3)cs2)cc1 587016300 UVESKFBUCIRLBN-UHFFFAOYSA-N 362.845 5.555 0 1 FKAF Clc1cccnc1-c1nc(-c2nc3ccc4c(c3[nH]2)CCCC4)cs1 587016941 FLGWEQBLSJJYMW-UHFFFAOYSA-N 366.877 5.281 0 1 FKAF Cc1cc(Br)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1 587037511 WCUUJLSUCKCCQZ-CQSZACIVSA-N 365.321 5.074 0 1 FKAF CC(C)(C)c1cccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587077791 XXYMBQMLNLGBNF-IBGZPJMESA-N 367.924 5.851 0 1 FKAF Cc1nc2ccncc2cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108040 XPJGZOUDDTUXFI-UHFFFAOYSA-N 373.415 5.365 0 1 FKAF COc1c(F)ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1N 587133598 VKIVCGSFRZNHAK-UHFFFAOYSA-N 365.433 5.111 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cc(Cl)ncc4[nH]3)c(Cl)c2)cc1F 587145608 NYKRCYCERHMWRV-UHFFFAOYSA-N 372.230 6.046 0 1 FKAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587167959 BEGNULGHAYCSLW-MRVPVSSYSA-N 358.722 5.514 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587170012 HTFWCDVCHCTASM-SECBINFHSA-N 355.360 5.012 0 1 FKAF COc1cccc(-c2cc(-c3cccc(F)c3)nc3c2oc2ccccc23)c1 587358729 BAPJZJQFLWJVPI-UHFFFAOYSA-N 369.395 6.463 0 1 FKAF CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC 587522264 GVPQTHOBDMDDGJ-NRFANRHFSA-N 366.457 5.069 0 1 FKAF O=C1C[C@@H](c2ccc3c(c2)Cc2ccccc2-3)Oc2c1ccc1c2CCCC1 587522740 GRHJZNQGSWPFJT-VWLOTQADSA-N 366.460 5.843 0 1 FKAF O=C1C[C@@H](c2cccc3cccc(C(=O)O)c23)Oc2c1ccc1c2CCCC1 587529940 SJOUGFXCWQSBPO-NRFANRHFSA-N 372.420 5.123 0 1 FKAF CC(C)=CCC[C@H](C)C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601763 HASALYPFBNNQBD-ORYQWCPZSA-N 366.457 5.495 0 1 FKAF COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2CC(=O)O)c(Cl)c1 587623474 IDTHRFIOGBUELX-UHFFFAOYSA-N 364.228 5.086 0 1 FKAF CC[C@]1(c2cccc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812162 IOLMSLKIBFFDLA-ORAYPTAESA-N 362.286 5.084 0 1 FKAF CC(C)=CC[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816051 STNKGRXFJRIMCJ-KPZWWZAWSA-N 352.291 5.084 0 1 FKAF CC[C@@H]1C[C@H](C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823391 PKWFTSFGECOEGX-JCTQEILZSA-N 354.307 5.164 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)cc1 587934528 CGUKVQSYFGMFPX-UHFFFAOYSA-N 370.786 5.837 0 1 FKAF Cc1cnc(Cl)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 587950614 SRWSRDDAUHDVTB-QXMHVHEDSA-N 361.832 5.882 0 1 FKAF Brc1ccnc2[nH]c(/C=C\c3cccc4ccccc34)nc12 587967653 ICDXLSGORKDZAW-HJWRWDBZSA-N 350.219 5.044 0 1 FKAF Cc1c(F)ccc2c1[C@](CCc1cc(F)cc(Cl)c1)(C1CC1)NCC2 962087016 COMBYPYHLFWEAH-NRFANRHFSA-N 361.863 5.310 0 1 FKAF CCn1cc2nccc(Nc3cc(-c4cc(C)ccc4F)ncc3C)c2n1 1772650714 BRZWIZLQTWSFTJ-UHFFFAOYSA-N 361.424 5.013 0 1 FKAF CCN(CC)c1ccc(NC(=O)c2ccoc2CCc2cccs2)cc1 1857540066 HZLXPXBEHMQJLN-UHFFFAOYSA-N 368.502 5.225 0 1 FKAF Fc1ccc(Nc2nnc(COc3ccc(Cl)cc3Cl)s2)cc1 1857600867 HFBDBCPREURUAZ-UHFFFAOYSA-N 370.236 5.307 0 1 FKAF c1ccc(Cn2c(-c3nc4cc5ccccc5cc4[nH]3)cc3ccccc32)cc1 1857748417 TVYHYUCPHWEFPB-UHFFFAOYSA-N 373.459 6.386 0 1 FKAF Clc1ccc([C@H](Cn2ccnc2)OCc2nc3ccccc3s2)cc1 2382245568 XNBNJRWSRUFVTF-KRWDZBQOSA-N 369.877 5.104 0 1 FKAF CCCCCC[C@@H](O)CCCCCCCCCCCOS(=O)(=O)O 14616255 SRNZFQJWLFVECZ-GOSISDBHSA-N 366.564 5.038 0 1 FKAF biogenic Oc1cc(O)cc(CCCCCCC/C=C\CCCc2ccccc2)c1 14651571 KPPSMCABJGUZGW-HYXAFXHYSA-N 352.518 6.560 0 1 FKAF Clc1ccc([C@@H](Cc2ccc(Cl)cc2Cl)Cn2ccnc2)cc1 33493874 KKOAAOHTCJFRHQ-HNNXBMFYSA-N 365.691 5.870 0 1 FKAF COc1cc(/C(F)=C/c2cc(O)c3ccsc3c2)cc(OC)c1OC 40879191 JUIMHHKELVWZEV-NSIKDUERSA-N 360.406 5.100 0 1 FKAF Cc1ccc(C(=O)C[C@H](Nc2ccc(F)cc2)c2cccc(F)c2)cc1 49863767 FBLDDBTTXDBIGE-NRFANRHFSA-N 351.396 5.699 0 1 FKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OC3CCCCC3)cc2)n1 72185973 IMMYLRPHWXMRKU-SFHVURJKSA-N 370.537 6.112 0 1 FKAF Fc1ccc(CNc2cc(-c3ccc(C(F)(F)F)cc3)ncn2)cc1F 82162250 UGNCACALRMLBSE-UHFFFAOYSA-N 365.305 5.053 0 1 FKAF CCCCCn1c(C(C)C)nc2c(NCCCc3ccccc3)ncnc21 82180033 YAMFLMMZCSVVID-UHFFFAOYSA-N 365.525 5.185 0 1 FKAF CCCC[C@@H](C)[C@@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(C)[C@H](O)C3)CCC[C@@]21C 96142489 MGADROAPTBMHLU-VLNKPYQSSA-N 374.609 6.034 0 1 FKAF CCC/C=C(\C)CSC[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100999516 OISADBQASBHBLJ-LSHUGSLQSA-N 366.567 5.461 0 1 FKAF O=N[C@H]1CCc2cc(-c3cc(C4CCNCC4)oc3-c3ccncc3)ccc21 169686183 YERYFQKNIBQWGZ-NRFANRHFSA-N 373.456 5.229 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)N[C@H](C)OC 231934435 FPVXVIYZKXLTPR-AYDIPYNLSA-N 361.570 6.241 0 1 FKAF Cc1nc(COc2cccc(-c3nc4ccc(Cl)c(C)c4[nH]3)c2)cs1 587020372 PVJZWZKCUJGQEY-UHFFFAOYSA-N 369.877 5.536 0 1 FKAF Cc1ccc2c(ccc3nc([C@@H](C)CC(=O)c4ccc(Cl)cc4)[nH]c32)n1 587069406 JXQRYUVZJLMHBU-LBPRGKRZSA-N 363.848 5.449 0 1 FKAF Cc1nc2cccc3c2c(c1Cc1ccc(Cl)cc1)-c1ccccc1C3=O 587104109 NXILVUTUZCSZJS-UHFFFAOYSA-N 369.851 5.999 0 1 FKAF COc1cccc(-c2cc(-c3c(C)n[nH]c3C)nc3c2oc2ccccc23)c1 587363600 RARPUMVPBAQFNO-UHFFFAOYSA-N 369.424 5.664 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc4cccnc34)o1)O2 587394201 DKYVASSMUMFYNM-OAQYLSRUSA-N 370.408 5.092 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(N3CCCCC3)c1)CC2=O 587475988 RYZZQOCIFSNUIH-JOCHJYFZSA-N 365.473 5.042 0 1 FKAF CC(C)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587601748 GXRWEHLAFDSSNN-OFNKIYASSA-N 360.409 5.219 0 1 FKAF CCc1[nH]c2ccc(F)c(Cl)c2c1Cc1ccc(Br)cc1 587628699 SRNJLIYZRWFFGJ-UHFFFAOYSA-N 366.661 5.876 0 1 FKAF CC(C)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(Cl)c(F)cc12 587629815 IZZZTNNHVQJHLW-UHFFFAOYSA-N 355.762 6.770 0 1 FKAF CCc1[nH]c2ccc([C@@H](C)CC)cc2c1Cc1ccc(Br)cc1 587639469 XFKZICTXJSFBTO-AWEZNQCLSA-N 370.334 6.597 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(OC)c3)c(C(=O)C(F)F)c2c1 587641922 KSXQLHVJSZXHHI-GFCCVEGCSA-N 357.400 5.805 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3cc(F)ccc3Br)c2c1 587643973 ZQYOEGJOHIOYFO-NSHDSACASA-N 360.270 6.558 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2F)N1 587717800 LSDRXVWMUVFOGH-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF C[C@@]1(c2ccc(O)c3ncccc23)NCCc2cccc(-c3ccccc3)c21 962670561 RHMDGCJIVVMPMG-VWLOTQADSA-N 366.464 5.017 0 1 FKAF CCCCCC[C@]1(c2ccco2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963606437 HQPAPZRTXZMFFT-KSFYIVLOSA-N 357.494 5.045 0 1 FKAF C[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1)c1cn(C)c2ccccc12 203463299 YTQJYNJELUKXSF-HNNXBMFYSA-N 350.462 5.677 0 3 FKAF Cc1cc(C[C@H](C)[C@@H]2CC[C@H](C)[C@H](c3ccc(O)c(C)c3)C2)ccc1O 4759162 VLPXHDDRKFSEFV-PGYGGLOZSA-N 352.518 6.113 0 1 FKAF CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c1ccco1)c1ccc(Cl)cc1 5978991 GCNXQOSRTIBRLP-LKUPVBHCSA-N 359.897 6.011 0 1 FKAF Cc1c(C)c(O)c([C@@H](CCCCCC(=O)O)c2ccc(F)cc2)c(C)c1O 13456440 QBZKMUITKDUXRQ-SFHVURJKSA-N 374.452 5.329 0 1 FKAF CCCc1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccc(O)cc1 13558363 RBPCYNVLBMIKAJ-UHFFFAOYSA-N 370.452 5.570 0 1 FKAF CCCC(CCC)N1CCc2cn(CCCOC(C)C)c3nc(C)cc1c23 13645761 JLKRRJHFBRMGJB-UHFFFAOYSA-N 371.569 5.491 0 1 FKAF Cc1c(SCc2ccc(OC[C@@H](C)F)cc2)oc2ccccc2c1=O 28710963 RDMPGGALJYJIED-CYBMUJFWSA-N 358.434 5.131 0 1 FKAF O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)c1 29128557 RXBDACPNWDGXCH-UHFFFAOYSA-N 352.817 5.208 0 1 FKAF CCCn1nc(-c2ccc(C)cc2)c2c1/C(=C/c1ccc(C)cc1)CSC2 29254973 PMWWRIIBZRPCRR-KGENOOAVSA-N 374.553 6.364 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)N[C@H](C)C(=O)O)C(C)(C)CCC1 29567107 JSNAKIATBRGNKG-DFZOIZTCSA-N 371.521 5.107 0 1 FKAF Cc1cccnc1-c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 38149540 MNOJJLPECUCOCM-UHFFFAOYSA-N 372.346 5.208 0 1 FKAF Fc1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@H]3CC[C@@H](C2)S3)cc1 66111693 QYKXDVOUDRSNAP-LAUBAEHRSA-N 363.457 6.059 0 1 FKAF CCn1c(-c2ccc(O)cc2)nc(-c2ccccc2)c1-c1ccc(O)cc1 72106193 PXDYVRRQUSBXCI-UHFFFAOYSA-N 356.425 5.315 0 1 FKAF COc1cccc(NCC[C@]2(c3cccc(F)c3)CCOC(C)(C)C2)c1 72112009 NZHDXAPYOUFMIY-QFIPXVFZSA-N 357.469 5.163 0 1 FKAF C[C@@H]([C@@H](O)c1csc2ccccc12)N1CC=C(Cc2ccccc2)CC1 84651915 QVIAHGYFYZASCH-GAJHUEQPSA-N 363.526 5.198 0 1 FKAF c1ccc([C@H](c2ccc3oc4ccccc4c3c2)n2cnc3ccccc32)cc1 96914435 KTACBVGGWRDAFX-AREMUKBSSA-N 374.443 6.573 0 1 FKAF CC1(C)CC2=Nc3[nH]nc(-c4ccccc4)c3[C@H](c3ccccc3)C2=C(O)C1 103536233 DOLFHIKJPFGTII-LJQANCHMSA-N 369.468 5.927 0 1 FKAF COc1ccccc1-n1nc(C2CCOCC2)cc1-c1ccc(Cl)cc1 144839068 FVDPIHFYLDOQMM-UHFFFAOYSA-N 368.864 5.095 0 1 FKAF O=C(O)CC1CCC2(CC1)CCN(c1cc(Cl)cc(Cl)c1)CC2 209057099 LTCCGKRFGBBEHR-UHFFFAOYSA-N 356.293 5.245 0 1 FKAF Cc1cc(Nc2nccc(C3CC3)n2)cc(-c2cccc(CCC(=O)O)c2)c1 211036177 AVJXTGKGXWLBDD-UHFFFAOYSA-N 373.456 5.090 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(C)cc(C)c3[nH]2)c1 586881479 GLOOEYYLRZSWEP-UHFFFAOYSA-N 354.453 5.695 0 1 FKAF CCCC(Br)(CCC)c1nc2ccc(OC(C)C)cc2[nH]1 586971410 RLQXURWHAZTSAS-UHFFFAOYSA-N 353.304 5.541 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(C)c(Cl)cc4[nH]3)c(C)s2)cc1 587013621 UQQQTVLASGIDPD-UHFFFAOYSA-N 353.878 5.932 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(F)cc(F)c2[nH]1 587014146 HHQYZYUZTKRDEU-UHFFFAOYSA-N 361.804 5.593 0 1 FKAF Cc1cc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587352725 MBJOLOKICGEQRB-DENIHFKCSA-N 366.388 5.015 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1c1ccc(OC(C)C)cc1)O2 587401042 PMDRFBZPQJBXNX-XXBNENTESA-N 365.473 5.036 0 1 FKAF O=C1C[C@H](c2ccc(CSC(F)F)o2)Oc2c1ccc1c2CCCC1 587509021 VXCCGNFAUIZCDB-QGZVFWFLSA-N 364.413 5.321 0 1 FKAF Cc1c(Cl)ccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)[nH]c12 587509694 WCSUTSJHXXJPOR-FQEVSTJZSA-N 365.860 5.715 0 1 FKAF CCN1CCCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587511898 AGJSGWKPASKLFH-HSZRJFAPSA-N 361.485 5.044 0 1 FKAF C[C@@]1(c2ccc(N3CCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587513643 KMAHKYPSYPSDGV-DEOSSOPVSA-N 361.485 5.046 0 1 FKAF Cc1cc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550746 YGFLNSBXXHYYLC-NQIIRXRSSA-N 366.800 5.057 0 1 FKAF Cc1cc(C)cc(OCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587563999 DPABJARXDURRRD-UHFFFAOYSA-N 354.759 5.431 0 1 FKAF CC(C)CC[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815709 OZAXONWTFLEPAC-SGTLLEGYSA-N 354.307 5.164 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCC(C)(C)C2)N1 587818428 DDICKADGECSIAO-NDGTYSDOSA-N 354.307 5.380 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)c3ccccc32)N1 587819127 GTPVWIVLMBCNAZ-ODXCJYRJSA-N 374.297 5.047 0 1 FKAF Cc1ccc2oc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587831862 IUUUDOBWLUYNBI-JEOXALJRSA-N 374.253 5.266 0 1 FKAF CSc1ccc(-c2ccc(C)n2-c2ccnc(Br)c2)cc1 587939188 CJVNFGIMJSYBPA-UHFFFAOYSA-N 359.292 5.332 0 1 FKAF CCOC(=O)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956048 RRCMHUYUDMPZOU-HXUWFJFHSA-N 370.452 5.114 0 1 FKAF CN1c2c(ccc3ccccc23)-c2ccccc2[C@H]1c1c[nH]c2ccccc12 1857646817 HIEQYEBJCZVEEC-SANMLTNESA-N 360.460 6.527 0 1 FKAF CC1=C[C@H](CNC2CCC2)[C@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356287343 HILXSGUSLUJUQM-SBHAEUEKSA-N 365.565 5.411 0 1 FKAF COC(=O)C[C@@H](C)CCCC(C)=CCCc1coc(Cc2ccoc2)c1 2356557024 WXLAGSLEOPLNHU-SFHVURJKSA-N 358.478 5.712 0 1 FKAF CCCCCN(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1 2382218250 RCUDEYIRZFFDSJ-UHFFFAOYSA-N 373.496 6.249 0 1 FKAF Cc1cc(Br)cn2c(Cc3ccsc3)c(-c3ccco3)nc12 72137974 LVFFJHGPVSIKKW-UHFFFAOYSA-N 373.275 5.318 0 3 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C=CCC[C@]4(C)[C@H]3CC[C@@]21C 6036226 SXFVKYLIXKBAPY-LVVAJZGHSA-N 358.566 6.312 0 1 FKAF COC(=O)c1ccc(O)c(C[C@@H]2C(C)=CC[C@@H]3C(C)(C)CCC[C@@]23C)c1 13431217 ABUPJXVKVVYCOX-XQFWAAQXSA-N 356.506 5.520 0 1 FKAF biogenic CCC[C@H](C)Nc1ncnc2nc(-c3ccccc3)c(-c3ccccc3)nc12 28346775 FWJFPZZMLAQDFR-INIZCTEOSA-N 369.472 5.354 0 1 FKAF Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc(Oc2ccccc2)c1 45255255 BSPQDOWDKXVQLA-UHFFFAOYSA-N 370.408 5.090 0 1 FKAF CCc1oc2c(C)c(OCc3ccccc3)ccc2c(=O)c1Br 82156154 TUVAFPJQAQWENI-UHFFFAOYSA-N 373.246 5.005 0 1 FKAF COc1cc2ncnc(Nc3ccc(-c4ccccc4)cc3)c2cc1OC 95586941 CZKBXLQQQYAVOU-UHFFFAOYSA-N 357.413 5.058 0 1 FKAF ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H]([C@H]4C=C[C@H]3C4)[C@@]1(Cl)C2(Cl)Cl 108957199 QBYJBZPUGVGKQQ-WVWMLWNASA-N 364.914 5.270 0 1 FKAF CCc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2cccc(F)c2)s1 206864888 NXTJTZUPSMHNRC-FQEVSTJZSA-N 366.461 5.216 0 1 FKAF Cc1ccc(NC(=O)Nc2cccc(-c3cccc(N4CCCC4)n3)c2)cc1 299834396 IWDABHJUMAOQJL-UHFFFAOYSA-N 372.472 5.301 0 1 FKAF Cc1ccc(-c2nnc(C3=C(Cl)c4cc(C)c(C)cc4CCC3)o2)cc1 299862605 JXFMAFAPTUZGBZ-UHFFFAOYSA-N 364.876 6.105 0 1 FKAF O=c1ccc2cc(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)ccc2o1 586916553 CUFIDTQOAKLGBV-UHFFFAOYSA-N 364.710 5.009 0 1 FKAF O=C1CCc2cc3nc([C@@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3cc2N1 587050598 PWPXQNZOGLVMKF-GHMZBOCLSA-N 372.255 5.026 0 1 FKAF Clc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2nc1Cl 587051099 RWALETKTMWJFKD-BQBZGAKWSA-N 373.070 5.843 0 1 FKAF CCc1cc(OCc2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1Cl 587052810 NPYFYSYJJPSDGL-UHFFFAOYSA-N 355.652 5.665 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc5[nH]ncc45)nc13)-c1ccccc1C2=O 587097842 SWZBULWDFHADPF-UHFFFAOYSA-N 361.404 5.298 0 1 FKAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587149332 FEFPBCREXLGZMY-MRVPVSSYSA-N 374.334 5.593 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587161393 NFXDWVRJMJBAKH-RYUDHWBXSA-N 354.734 5.645 0 1 FKAF CCCCCCc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 587449013 CZPUKUCXCRCQPL-IERDGZPVSA-N 356.487 5.368 0 1 FKAF CC[C@@H](C)n1nc(C)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587507662 RPOKNRPKCNPCPJ-XIKOKIGWSA-N 372.896 5.401 0 1 FKAF Cc1cccnc1[C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587518255 DLDAMJXBNGTCCJ-HOYKHHGWSA-N 361.485 5.331 0 1 FKAF Cc1cc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587550748 YGFLNSBXXHYYLC-WIYYLYMNSA-N 366.800 5.057 0 1 FKAF Cc1cccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)(F)F)c1 587624939 WNNOQFZAJXQINO-UHFFFAOYSA-N 351.755 5.850 0 1 FKAF COc1ccc(Cl)cc1NC(=O)c1c(C)[nH]c2cc(Cl)c(F)cc12 587628887 SYCRSYASOAAGEG-UHFFFAOYSA-N 367.207 5.183 0 1 FKAF Cc1c(-c2ccc(Br)cc2F)[nH]c2ccc(F)c(Cl)c12 587629267 HKEZNONTMPNBOY-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3F)c(-n3cncn3)c2c1 587639923 ASBMRJZXBILJBZ-GFCCVEGCSA-N 352.388 5.207 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(Br)ccc3F)c(C)c2c1 587642617 OXGOBXSYRKKQKZ-LLVKDONJSA-N 360.270 6.558 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1 587780185 NANZSLQDPDWSLZ-UHFFFAOYSA-N 364.448 6.449 0 1 FKAF CC(C)=C1CC[C@@H](C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587817126 IVWQCKDYWOTSQZ-VLXJIEOASA-N 366.318 5.474 0 1 FKAF Cc1nc(-c2ccc(/C=C/C3CCCC3)cc2)sc1-c1ccnc(N)n1 653826114 YXTOWJPGEJVNHX-VOTSOKGWSA-N 362.502 5.361 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1nc(-c2ccc(C)cc2)cs1 963232126 CNJXSLJKKGMTBL-VGOFRKELSA-N 362.542 5.865 0 1 FKAF CCCc1ccc(OCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1 1772616107 UNNZXCUYMXIKQS-UHFFFAOYSA-N 360.457 5.053 0 1 FKAF CCCCCC[C@H]1OC(=O)[C@@H]1CCCc1ccc(-c2ccccc2)cc1 1857591509 UGQDNKICOVHTSS-DHIUTWEWSA-N 350.502 6.188 0 1 FKAF CC(C)=CCCC(C)=CCC=C(C)[C@@H](C)CC(=O)c1ccc(O)cc1O 2356499614 HFXVGVAUUXMKQO-IBGZPJMESA-N 356.506 6.336 0 1 FKAF COc1ccc(C=O)c(-c2c(-c3ccccc3OC)sc3ccccc23)c1 95569973 ZJSCRQRULOGPDJ-UHFFFAOYSA-N 374.461 6.065 0 3 FKAF O=C(NC1CCCCC1)Oc1cccc(-c2ccc(C(F)(F)F)cc2)c1 13583448 PJNNLGWPDLDWCS-UHFFFAOYSA-N 363.379 5.794 0 1 FKAF Cc1[nH]c(-c2ccccc2)c(O)c1C(=O)O[C@H]1C[C@H](C)CC[C@H]1C(C)C 19118684 PFCVPDHSSAWHDG-JLSDUUJJSA-N 355.478 5.313 0 1 FKAF CCOC(=O)/C=C(C)/C(F)=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C 25985599 VBGDBEICNQTNPT-GTLSIILASA-N 372.480 5.943 0 1 FKAF C=C1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@H]3CC[C@](C)(OC(C)=O)[C@@]3(C)CC[C@H]12 26398769 FBVIOYXUKJUFCN-PSNYSBIKSA-N 356.506 5.006 0 1 FKAF O=c1oc(OC2CCC(C3CCCCC3)CC2)c(Cl)c2ccccc12 40429362 QTSOVNLFZVMXKS-UHFFFAOYSA-N 360.881 5.964 0 1 FKAF Cc1ccccc1OCc1ccccc1-c1nnc(-c2ccccc2F)o1 64454436 OSIZKECJWFLJER-UHFFFAOYSA-N 360.388 5.430 0 1 FKAF C[C@@H]1CCC[C@@H](NCc2coc(-c3ccccc3Br)n2)[C@@H]1C 72179988 YTDJPRCFNNVFHH-PBFPGSCMSA-N 363.299 5.018 0 1 FKAF FC(F)(F)c1cccc(-c2ccc3nnc(-c4cccc(Cl)c4)n3c2)c1 82082501 UGUAUQBKHNJCQA-UHFFFAOYSA-N 373.765 5.736 0 1 FKAF CCCCc1ccc(-c2cc(N[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)ncn2)cc1 82162116 HZRBNVINBKQHLF-UMSONDCASA-N 363.549 5.969 0 1 FKAF Cc1cnc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccccc2F)o1 82175183 GLLKEIBPACLBET-SCLBCKFNSA-N 366.440 5.237 0 1 FKAF CCCNc1ncc(-c2ccc(F)cc2)cc1C(=O)c1ccc(F)cc1 96285660 XZHWGXAHFOXEGB-UHFFFAOYSA-N 352.384 5.080 0 1 FKAF C[C@H](NC(=O)[C@]1(C2CCCC2)CC1(Cl)Cl)c1ccc(Cl)cc1 103293191 FCBPAVBVTODMLA-MEDUHNTESA-N 360.712 5.271 0 1 FKAF CCc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc1 103543729 PDJGCQKGBDBMCS-HXUWFJFHSA-N 353.462 5.009 0 1 FKAF C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)(C)O 142120514 DXUUMGIBJHDCHX-WDWFXKRRSA-N 360.582 5.333 0 1 FKAF COc1ccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)nc1 142256096 HHHNCDRSXQJPND-UHFFFAOYSA-N 359.454 5.624 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CCN4CCCCC[C@]34C)[C@@H]1CC=C2c1cccnc1 144158762 RLAKJCBHCLESRM-FXOREOJDSA-N 350.550 5.556 0 1 FKAF CCc1ccc(Nc2nc3cc(NC(=O)Cc4ccccc4)ccc3o2)cc1 146469488 JMBSMNAJQSCROM-UHFFFAOYSA-N 371.440 5.315 0 1 FKAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](CO)CC[C@]4(C)[C@H]3CC[C@@]21C 165589011 SQZDQHJQQVBLCS-DMKHMZAPSA-N 372.637 6.712 0 1 FKAF O=C1c2ccccc2-c2cc(-c3c[nH]c4ccccc34)nc3ccc(O)c1c23 586989465 JYBAMTCHGJFRKY-UHFFFAOYSA-N 362.388 5.300 0 1 FKAF Cc1ccc2c3c(cc(Cc4ccccc4F)nc13)-c1ccccc1C2=O 586996872 UTHABFDLPHAYFM-UHFFFAOYSA-N 353.396 5.485 0 1 FKAF Cc1cc(C)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 587048372 UPUHCJBEUQQNPO-UHFFFAOYSA-N 367.279 6.821 0 1 FKAF Clc1[nH]c2ccccc2c1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587087956 PVQUGAFNPFFHEE-UHFFFAOYSA-N 373.843 5.944 0 1 FKAF COc1cc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2cc1Cl 587095287 UTYXXRQQUIHXRH-UHFFFAOYSA-N 354.759 5.143 0 1 FKAF CC(C)(C)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134808 OYSJVCJMIXMBBC-ALCCZGGFSA-N 366.333 5.726 0 1 FKAF Cc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Cl 587205585 STCNUGFIACYNIH-OAHLLOKOSA-N 365.905 5.007 0 1 FKAF Cc1cnc(Cl)c2[nH]c(-c3cccc(Nc4ccc(O)cc4)c3)nc12 587242793 RURVERVMUKWGED-UHFFFAOYSA-N 350.809 5.036 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(Cl)cc2C[C@H]1C 587461386 KDDOPPFDHXQLML-GTJPDFRWSA-N 356.849 5.051 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1csc3ccc(Cl)cc13)CC2=O 587493882 HCCVETKXGFQKSI-SFHVURJKSA-N 372.873 5.919 0 1 FKAF COc1c(C)cc(C)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521408 BZUCVNSMBWPINL-HSZRJFAPSA-N 350.458 5.071 0 1 FKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC1CC1 587525822 SFJOVWKIRZXRID-QHCPKHFHSA-N 362.469 5.369 0 1 FKAF Cc1ccc([C@@]2(c3ccco3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587529369 AQJAOXDIGLXOCS-RUZDIDTESA-N 372.464 5.684 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccsc3)o2)Oc2c1ccc1c2CCCC1 587534613 DBQPXNWHZHCDLT-FQEVSTJZSA-N 350.439 5.593 0 1 FKAF O=C1C[C@@H](c2cnc(-c3ccsc3)s2)Oc2c1ccc1c2CCCC1 587535241 JMDZDVJVDNAFKJ-KRWDZBQOSA-N 367.495 5.457 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2C2CC2)N1 587814099 FXCNCFHKPFPFLL-YUNKPMOVSA-N 374.297 5.263 0 1 FKAF CC(C)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587821056 SQKVKTBAPKIVOI-CWTRNNRKSA-N 362.286 5.335 0 1 FKAF CC(C)[C@H]1CC[C@]2(C[C@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587824801 YTXMIYAQMSWPEP-DZDCQFRTSA-N 368.334 5.410 0 1 FKAF Cc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)c(Br)c1 587922139 IZOKDUXCIRBHJC-UHFFFAOYSA-N 366.230 5.826 0 1 FKAF Cc1cccc(COc2cccc([C@H]3NCCc4c3sc(C)c4C)c2)c1 963012817 RDBPSVQEEBNBJC-JOCHJYFZSA-N 363.526 5.487 0 1 FKAF C[C@@]1(c2ccc(SC(F)F)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963104763 MGLDCKSDWOZCGY-OXJNMPFZSA-N 363.448 5.424 0 1 FKAF Cc1ccc2cc(C(C)C)c(O)cc2c1CC[C@@H]1OC(C)(C)OC1(C)C 1857550643 DRASSUPWKKDVOD-NRFANRHFSA-N 356.506 5.840 0 1 FKAF CC1=C2C[C@@]34CC[C@H]5CCC[C@H](C=C[C@H]3[N@@]3CC36CCCC6)[C@@]4(C)[C@@]25CC1 2356352670 YEIBEVVNVXLGGP-GGJWSCEJSA-N 363.589 6.256 0 1 FKAF COCC[C@H](C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)OC)[C@H]2CC[C@@H]1C 2356377788 LRXQVKNEISJCOG-ZUCBFVJTSA-N 350.543 5.391 0 1 FKAF CC[C@@H](C)CCCc1c(O)ccc(C(=O)c2cc(Cl)c(Cl)[nH]2)c1O 2356526970 QURWKLFOAGYFEG-SNVBAGLBSA-N 370.276 5.333 0 1 FKAF CC1=CCC[C@]2(C)CC[C@@H]3CCC(C)(C)[C@H](O)[C@H]3[C@H]2CCC(C)=CCC1 2356580574 YCOBKYRODIQCDT-BKXWLNCVSA-N 358.610 7.063 0 1 FKAF COC(=O)c1ccc(O)c(C[C@]2(C)[C@H](C)CC[C@H]3C(C)=CCC[C@@]32C)c1 2356743538 KDAMGOAZTHXKIC-FERXELFHSA-N 356.506 5.520 0 1 FKAF S=C(NCC1CCCCC1)O[C@@H]1CCC12CCC(c1ccccc1)CC2 96019269 OPWZAFFITLXYCF-WQMHRJNTSA-N 371.590 5.964 0 3 FKAF CCCC1CCC2(CC1)CC[C@H]2OC(=S)Nc1ccc(N(C)C)cc1 205704625 XEBHGJKHWOHIJC-IPFXWSOASA-N 360.567 5.605 0 3 FKAF CCCC1CCC2(CC1)CC[C@H]2OC(=S)NCc1cccc(OC)c1 205705047 OISXUMNSHIMLSH-IPFXWSOASA-N 361.551 5.225 0 3 FKAF Cc1cc(C)c(NC(=O)[C@H]2c3ccccc3COc3ccc(C)cc32)c(C)c1 13735150 ZPPXXXPDPZCDKV-QHCPKHFHSA-N 371.480 5.583 0 1 FKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CCCCC(F)(F)F)cc1OC2(C)C 13808803 JIFAGTGHNWWHCX-HZPDHXFCSA-N 368.439 6.278 0 1 FKAF CCCCCCSc1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C=C(C)CN1C 13826364 APPQUNGDZNNCCP-YLJYHZDGSA-N 354.563 5.740 0 1 FKAF Cc1ccc2cc(-c3cc(N(C)CCN(C)C)c4ccccc4n3)ccc2c1 27315181 YKSFQCTZTNOWSU-UHFFFAOYSA-N 369.512 5.361 0 1 FKAF CC(C)c1ccc(O[C@](C)(Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1 27527228 XVEADQDIGADYQP-LJQANCHMSA-N 367.272 5.582 0 1 FKAF CC(C)=CCC/C(C)=C/COc1ccccc1/C=C1/SC(=O)NC1=O 28703443 DFRSMAUQVXEYDI-YAIVMUPMSA-N 357.475 5.082 0 1 FKAF CC(C)n1cnc2c(NCc3ccccc3)cc(Cc3ccccc3F)cc21 49087965 DJLQVCDKPINDFB-UHFFFAOYSA-N 373.475 5.959 0 1 FKAF O=C(Nc1nc2c(O)cccc2s1)Nc1ccccc1-c1ccccc1 63539431 FWQLGWJRPGEROE-UHFFFAOYSA-N 361.426 5.313 0 1 FKAF CCc1cnc(-c2cnc(N3CCCCC3)nc2-c2cccc(C)c2)s1 82173318 OBEDRNLQTPUKSF-UHFFFAOYSA-N 364.518 5.128 0 1 FKAF CC(C)N(C(=O)CNc1ccccc1Nc1ccccc1)c1ccccc1 137834670 XUCSQYPDVPHCIF-UHFFFAOYSA-N 359.473 5.284 0 1 FKAF CCC[C@H](Sc1ccc(C(=O)O)nc1)c1cccc(C(F)(F)F)c1 139269948 XKCWDXPEPCNLQF-HNNXBMFYSA-N 355.381 5.432 0 1 FKAF Cc1ccc(-c2cc([C@@H]3[C@@H](c4ccc(C)cc4)C[C@@H]4CC[C@@H]3N4C)on2)cc1 169340535 IQNHMRJZPKQKFD-PLRSXRBSSA-N 372.512 5.692 0 1 FKAF O=C1O[C@@H](c2ccccc2Cl)CC(O)=C1Sc1ccccc1Cl 299834266 LDHNBRXISLENQX-CQSZACIVSA-N 367.253 5.543 0 1 FKAF COC(=O)c1c(/C=C/c2cccc(F)c2)cc(OC)c(CC=C(C)C)c1O 473091494 YWJRKRZCFBMZPY-MDZDMXLPSA-N 370.420 5.006 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)nc3c2COc2ccccc2-3)cc1 473124833 XGRUAFXNPHFEAD-UHFFFAOYSA-N 351.405 5.681 0 1 FKAF Clc1cc(Br)cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586886048 ZAURMFUOAQHVHK-RVOMIOKESA-N 365.702 5.447 0 1 FKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(F)cccc2[nH]1 586980999 IPXGEZIEQPUPDA-UHFFFAOYSA-N 370.225 5.231 0 1 FKAF C[C@@H](c1ccccc1)c1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586990755 GOQPVVKOGCLTTJ-AWEZNQCLSA-N 351.405 5.304 0 1 FKAF Cc1cc(C)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 587063558 OVVVKRQYCOGFLC-UHFFFAOYSA-N 362.860 6.079 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@](C)(O)[C@H]1C[C@H]4C1(C)C)-c1ccccc1C2=O 587101346 MMYLGCCHTRDIEZ-LEHBWIKQSA-N 369.464 5.105 0 1 FKAF Fc1c(Br)ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587107047 MGYDAROEQGOGDP-UHFFFAOYSA-N 373.147 5.074 0 1 FKAF Cc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1C 587137772 KOFJGNFHUPJBRM-UHFFFAOYSA-N 353.622 5.402 0 1 FKAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(C(C)(C)C)ccc2[nH]1 587147213 GNHJURSMQROGOT-UHFFFAOYSA-N 366.415 5.206 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)c1 587234428 FZRHSCGMODTBBB-UHFFFAOYSA-N 369.255 5.640 0 1 FKAF CO[C@@](C(=O)c1coc2ccc(Cl)cc12)(c1ccccc1)C(F)(F)F 587279082 VJRJDSMRJCVZIN-QGZVFWFLSA-N 368.738 5.373 0 1 FKAF COc1c(C)cccc1-c1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587400371 REYGTUUAFJBDDK-QFIPXVFZSA-N 373.452 5.268 0 1 FKAF O=C1C[C@@H](c2c[nH]c3c4c(ccc23)CCC4)Oc2c1ccc1c2CCCC1 587522381 FQGZTKNJMLBURB-QFIPXVFZSA-N 357.453 5.242 0 1 FKAF Cc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587821432 VABLFJMMAXAETD-ORAYPTAESA-N 362.286 5.137 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC2(C)C)N1 587822782 MHHMPVCCALUMRH-VOJFVSQTSA-N 354.307 5.164 0 1 FKAF Oc1ccc(-n2c(O)ccc2OCCc2ccccc2)cc1-c1ccccc1 587926819 PJILAMFJCUZXII-UHFFFAOYSA-N 371.436 5.177 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(F)cc(F)c3[nH]2)cc1 587934773 GDDGELFZRXGJTD-IBGZPJMESA-N 350.368 5.030 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(F)cc(F)c3[nH]2)cc1 587934775 GDDGELFZRXGJTD-LJQANCHMSA-N 350.368 5.030 0 1 FKAF Clc1cc(Cl)c2c(c1)[C@@H](c1ccc(-c3ccccc3)nc1)NCC2 963108846 OHMZHHVLWIFIII-HXUWFJFHSA-N 355.268 5.291 0 1 FKAF Fc1cccc(C[n+]2ccc(Cn3c4ccccc4c4ccccc43)cc2)c1 1857537577 BQWFRMVFAFIWNL-UHFFFAOYSA-N 367.447 5.318 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CNc3ccc(O)cc3)CCC[C@@]21C 1857594654 HIZRGDMETMROFK-NBABOCAUSA-N 371.609 7.099 0 1 FKAF CC(=O)[C@H]1CC[C@]2(C)[C@@H]3CC=C4C(C)(C)C(O)=CC[C@]4(C)[C@H]3CC[C@]12C 2356366218 CDRZQEYAKWRWRP-ZWYIQENHSA-N 356.550 6.232 0 1 FKAF COc1ccc(C(=O)O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c1O 2356538609 KTDJJLWNCQHPQK-UHFFFAOYSA-N 372.505 6.061 0 1 FKAF CCO[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]21C 2356691702 TWEHZCXWBLXVIK-QYSHBZRDSA-N 360.494 5.152 0 1 FKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc2scnc2cc1O 2356799250 UFIAWNHKMLLRGF-NRVXSKMLSA-N 355.547 6.343 0 1 FKAF O=C(NCCC(F)(F)F)c1cccc2c(-c3ccc(F)c(F)c3)coc12 61906683 LOCAQQNKKFZQQW-UHFFFAOYSA-N 369.289 5.060 0 3 FKAF CCCN(CCC)CCc1ccc(OC)c(OCCCc2ccccc2)c1 13795847 KWBSGRNMMKLDML-UHFFFAOYSA-N 369.549 5.371 0 1 FKAF C[C@H](C(=O)O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1 26577227 OLFVZFQFBDVFLJ-HNNXBMFYSA-N 357.409 5.155 0 1 FKAF Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccc(O)cc32)cc1 27548521 DLXXAELOFWXWHQ-UHFFFAOYSA-N 366.416 5.167 0 1 FKAF COc1ccc(-c2[nH]c(SC(F)(F)F)nc2-c2ccc(F)cc2)cc1 28219095 PKPIVTCYBNCLIC-UHFFFAOYSA-N 368.355 5.503 0 1 FKAF CN(C)Cc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 45195798 WNXVAMGCBICGOU-UHFFFAOYSA-N 364.876 5.321 0 1 FKAF Cc1ccc([C@H](CC(=O)c2cccc(Cl)c2)Sc2ccccc2)cc1 72113017 RETHZZNFLLDIOG-QFIPXVFZSA-N 366.913 6.755 0 1 FKAF CC1(C)CCc2c(c3ccccc3c3nc(-c4ccc5c(c4)OCO5)oc23)O1 72173074 XRJOWZFHNURJQT-UHFFFAOYSA-N 373.408 5.480 0 1 FKAF COc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2ccc3ncccc3c21 104707582 HFIDYGPCJHUXET-JOCHJYFZSA-N 356.425 5.457 0 1 FKAF CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)/C=C/c2ccccc2)C1 238785098 BSHLGQPIUIDMJX-AHXSJJMQSA-N 368.517 5.155 0 1 FKAF CC(C)=CCC/C(C)=C\CN1C(=O)[C@]2(C[C@H](C)C[C@@H](C)O2)c2ccccc21 254010493 FCLSDSXDBAGLFT-UBUFXRRPSA-N 367.533 5.756 0 1 FKAF CC(C)/C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1 299865061 SNVIZHCIDJJVJG-OCOZRVBESA-N 373.496 5.345 0 1 FKAF Clc1ccc(CC/C(=C\c2nc3ccccc3[nH]2)c2ccccc2)cc1 587074092 SCXPVMDHESOLSK-KNTRCKAVSA-N 358.872 6.390 0 1 FKAF Cc1cc2c([nH]1)CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096969 MWTWJKSACYPQLW-UHFFFAOYSA-N 350.421 5.157 0 1 FKAF C/C(=C/c1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099929 YBJOLZYTEBHQNG-VKAVYKQESA-N 361.444 6.315 0 1 FKAF O=C(O)c1cc(F)cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c12 587144536 ADGBRSCGLYFLEH-UHFFFAOYSA-N 368.314 5.012 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3cccc(OC(F)(F)F)c3[nH]2)c1F 587149747 ARBJFCBPXMDFSX-NXEZZACHSA-N 354.278 5.011 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587170611 RKUPYQXTQPGDQB-SECBINFHSA-N 355.265 5.905 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)c1 587236517 XCEOOVFIPKUDJW-UHFFFAOYSA-N 351.812 5.731 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](N(C)C)C3)c1 587360974 SJIDYAUNHJLLOR-MRXNPFEDSA-N 372.468 5.076 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1sc4scc(C)c4c1C)[C@@H](C2)C3=O 587454197 VNWZLDUBYWUANX-YVEFUNNKSA-N 356.468 5.077 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC=C(C)C)cc1)CC2=O 587476378 CEFHJQAZIOKOTF-QFIPXVFZSA-N 366.457 5.396 0 1 FKAF CC(C)(c1ccc(F)cc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587501905 AYZZYFZGJHEHJS-QHCPKHFHSA-N 352.449 5.406 0 1 FKAF COc1ccc2c(c1)[C@@H](C)[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587524303 LUULNNWHKCFICW-MYYSRTQBSA-N 362.469 5.028 0 1 FKAF COc1ccc2occ([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587531512 GWQMHPBSIFHOAP-QHCPKHFHSA-N 362.425 5.201 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc([C@H](C)CC)cc3)c2c1 587642912 PXYAJIABPCRMNM-CVEARBPZSA-N 362.517 6.756 0 1 FKAF CC(C)C[C@H](C)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812783 KIGUKKPJJVSVCK-ZJNRKIDTSA-N 356.323 5.410 0 1 FKAF FC(F)(F)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587958785 JQCYINIOVDVOKJ-UHFFFAOYSA-N 352.359 5.840 0 1 FKAF CC(C)c1nn(C)c2c1[C@@](c1cccc(Cl)c1)(C1CCCCC1)NCC2 962919999 QHFLOZKKBYTLPI-QFIPXVFZSA-N 371.956 5.167 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cccc(Oc2ccccn2)c1 963226164 GRBKORCTNOMSAF-MHECFPHRSA-N 358.485 5.620 0 1 FKAF C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](OCc3ccccc3)CC[C@H]12 2356729870 PFVCATKPVAAICJ-URGBZLTBSA-N 366.589 7.005 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H]3C=CN(CC(=O)O)C=C3CC[C@@H]12 2356784681 PQUGGJDNPWLFES-WOEVYDRPSA-N 357.538 5.443 0 1 FKAF C[C@H](O)CCCCCCCCCCCCCCCc1cc(O)cc(O)c1 2356793766 HNNGSRXNZIYBGG-FQEVSTJZSA-N 364.570 6.483 0 1 FKAF COc1cc2[nH]c(-c3csc4ccccc34)c(C=O)c2cc1-c1cnco1 1492372 NSAYRHJLZNHLSQ-UHFFFAOYSA-N 374.421 5.526 0 1 FKAF O=C(C[C@H](C(=O)c1cccs1)c1cccs1)c1ccccc1Cl 1636194 OFGQJXQGWLPUPY-ZDUSSCGKSA-N 360.887 5.703 0 1 FKAF c1ccc(-c2ccc([C@@]3(Cn4ccnc4)OCc4ccccc43)cc2)cc1 5974802 FUJSNWGMDYDZLE-XMMPIXPASA-N 352.437 5.024 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@@H](C(=O)O)P(=O)(O)O 13742108 ZGQGOYOQFWFRGW-UTWGVSKESA-N 372.442 5.207 0 1 FKAF CC1(C(=O)Nc2ccccc2SC(=O)Cc2ccccc2)CCCCC1 13813302 VXWJWSKNEOIMLR-UHFFFAOYSA-N 367.514 5.457 0 1 FKAF NCc1ccc(Nc2nccc(Nc3ccc(-c4ccccc4)cc3)n2)cc1 45195198 BODAMVRNVZSOAJ-UHFFFAOYSA-N 367.456 5.090 0 1 FKAF CCCCOc1ccc([C@@H](CC)NC(=O)Oc2cccc(N(C)C)c2)cc1 45357126 DHSNZVVWPBPPJP-OAQYLSRUSA-N 370.493 5.171 0 1 FKAF Cc1ccccc1-c1nc(N2CCCC2)ncc1-c1nc2ccccc2s1 82177349 QKCGVZFFABKWCR-UHFFFAOYSA-N 372.497 5.329 0 1 FKAF CC(C)c1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1 84615232 HXZJSAFVSYFVCZ-UHFFFAOYSA-N 361.554 5.794 0 1 FKAF OC1(c2ccccc2)c2ccccc2N(Cc2ccccc2)c2ccccc21 95578665 PEMLUSSWDFVTHU-UHFFFAOYSA-N 363.460 5.623 0 1 FKAF Oc1cccc(Nc2cc(-c3ccccc3)nc(Nc3cccc(O)c3)n2)c1 114331336 RSWSMIPFOGQGPP-UHFFFAOYSA-N 370.412 5.042 0 1 FKAF CC1(C)OC[C@@H]([C@]2(C)CC[C@@H]3[C@](O)(CC[C@@H]4C(C)(C)CCC[C@@]34C)C2)O1 238736834 MDPCBJMZAZKCCG-UTMCFWPLSA-N 364.570 5.302 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@@]4(C)[C@H]3CC[C@@]12C 253921133 RPKLZQLYODPWTM-YIVVOQENSA-N 360.582 6.536 0 1 FKAF CCCCCC[C@@H](C)CCCCCCCCCCc1cc(O)cc(=O)o1 263614850 WVONRTGTBIMNAN-HXUWFJFHSA-N 364.570 7.005 0 1 FKAF in-vitro CCC(C)(C)c1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 586881089 KMLSDLGBOSDDEP-UHFFFAOYSA-N 372.537 7.069 0 1 FKAF Cc1ccc(SCc2nc3ccc(Br)c(C)c3[nH]2)c(C)c1 586963732 OAGKJZLDFVFVHE-UHFFFAOYSA-N 361.308 5.543 0 1 FKAF Clc1cccnc1-c1nc(-c2nc3cc4ccccc4cc3[nH]2)cs1 587017075 GKRZDZSETWUDQO-UHFFFAOYSA-N 362.845 5.555 0 1 FKAF COc1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064945 QQFQMEXEPQYPMM-UHFFFAOYSA-N 354.793 5.064 0 1 FKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(C)cc3[nH]2)n1 587079110 GFPSJWDEZFZKIV-SECBINFHSA-N 367.678 5.122 0 1 FKAF CC(C)(C)c1cccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587086792 FVFNKUAHIJXWMM-UHFFFAOYSA-N 362.864 5.638 0 1 FKAF Fc1cc(Cc2nc3cc4ccccc4cc3[nH]2)ccc1-c1ccccc1 587145651 MYEBXPRLTMBECG-UHFFFAOYSA-N 352.412 6.113 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H]2c2ccccc2)[C@@H]1c1ccc(F)cc1 587352160 IMYCRRAIVNSCEM-FJIJXJHWSA-N 374.411 5.207 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@H]3C(=O)O)c1 587367391 WNKRBJHADVBIHT-MRXNPFEDSA-N 373.408 5.161 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccccc4)c(F)c1)[C@@H](C2)C3=O 587428118 WTEUDGXLKCZDBW-CYFREDJKSA-N 374.411 5.164 0 1 FKAF CC(C)c1ccc(C[C@@H](C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526778 SBYKUFLULOXSOQ-MZNJEOGPSA-N 362.513 5.901 0 1 FKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1CCC1CCCCC1 587660760 SPCIMLJBBSIUPY-UHFFFAOYSA-N 350.437 5.173 0 1 FKAF O=C(Cc1ccc(-c2ccccc2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873774 LYWWJZQLJRUYNQ-UHFFFAOYSA-N 370.383 5.345 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3Cl)c3c(n2)-c2ccccc2C3)c1 653731222 MIPWKAFGAOWHJJ-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF CC/C(=C(/c1ccccc1)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1 653882389 SGLBJJBLVBUEFH-OCOZRVBESA-N 369.508 6.650 0 1 FKAF Cc1cccc(-c2c([C@@H](OC(C)(C)C)C(=O)O)c(C)nc3ccccc23)c1 1857770604 BRPBTWPQOKPEAB-OAQYLSRUSA-N 363.457 5.459 0 1 FKAF CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356389559 ZGWAMLWWZPWUEI-VDSGFHQDSA-N 356.550 5.750 0 1 FKAF C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)c4nc(-c5ccsc5)sc4C[C@@]3(C)CC[C@H]12 2356519739 OEDBQTSAAZMVMA-RKKNAHTRSA-N 373.543 5.125 0 1 FKAF COc1cc(OC)cc(Sc2c[nH]c3c(Cl)c(Cl)ccc23)c1 2382231566 GWAQPDJRYQIHIS-UHFFFAOYSA-N 354.258 5.643 0 1 FKAF CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774826 PGEPCUWOVXPFHF-LBPRGKRZSA-N 374.893 5.498 0 1 FKAF Clc1ccc(CNCCOc2ccc(Cl)c3[nH]cc(Cl)c23)cc1 1903134 ZCVWXRHTDZMYSR-UHFFFAOYSA-N 369.679 5.297 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)cc1 11181008 JSJDISBXLQLHHE-UHFFFAOYSA-N 366.511 5.548 0 1 FKAF CC(C)c1ccc(O[C@@](C)(Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1 13604767 OYLAQBCBAYNKJH-IBGZPJMESA-N 366.379 5.294 0 1 FKAF CSc1ccc(-c2cc3ccccc3nc2SCCN(C)C)cc1 26378390 UZMKREGEQPIFSM-UHFFFAOYSA-N 354.544 5.277 0 1 FKAF C[C@@H]1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1 26727046 AOZALWRGTMILIK-ZDUSSCGKSA-N 351.496 5.726 0 1 FKAF CC(/C=C/c1cc(C)c2cc(C(C)C)ccc(C)c1-2)=C\C=C\C(C)=C\C(=O)O 26841940 FPFMKZBTCSBYFF-XAVLLROCSA-N 374.524 7.078 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CN(C)C)C[C@H]21 28769925 ZXKGLKKHBVMHIF-CEXWTWQISA-N 359.554 5.357 0 1 FKAF CC[C@@H]1CCC[C@@]23CCN(CC4CCC4)[C@@H](Cc4ccc(OC)cc42)[C@H]13 29477555 KAOWEHFUQIEFQN-IBURTVSXSA-N 353.550 5.190 0 1 FKAF Fc1cccc(Oc2cc(NCc3ccc(C(F)(F)F)cc3)ncn2)c1 34337027 CYFUEBFEUWNZEW-UHFFFAOYSA-N 363.314 5.039 0 1 FKAF C[C@]12CC[C@@H]3[C@@H](CCC4=C(C(F)(F)F)C(=O)CC[C@@]43C)[C@H]1CCC2=O 36189081 OMHOOFKINHBDCB-UJAPSRGHSA-N 354.412 5.020 0 1 FKAF Fc1ccccc1C[C@@H](Cc1ccc(-c2ccccc2)cc1)n1ccnc1 45497017 FHSOIRBUWDZNNR-HSZRJFAPSA-N 356.444 5.716 0 1 FKAF O=C(O)c1ccccc1Nc1ccc(Oc2ccccc2)c(C(F)(F)F)c1 62260220 JWIXDCRBYDAWCI-UHFFFAOYSA-N 373.330 5.940 0 1 FKAF COc1ccc(Cn2c(C3CCCCC3)nc3c4ccccc4ncc32)cc1 72175238 JPBOVAXQHRIPAW-UHFFFAOYSA-N 371.484 5.689 0 1 FKAF CC(C)=Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1 73240225 HNQWWJBYDDPOKI-UHFFFAOYSA-N 372.679 5.923 0 1 FKAF Cc1ccc(Nc2nc(C[C@@H](C)NC3CCCCC3)ns2)cc1Cl 82052398 CHHKHFXQVVTSNP-CYBMUJFWSA-N 364.946 5.097 0 1 FKAF O=c1[nH]c2cc(-c3ccccc3)ccc2c2[nH]c(-c3ccccc3Cl)nc12 96270721 SJSIOPWZUMWNBI-UHFFFAOYSA-N 371.827 5.392 0 1 FKAF CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@@H](c2ccccc2Cl)C1 203671487 MRARYRMEBVUTLH-QGZVFWFLSA-N 356.853 5.392 0 1 FKAF CC/C=C/CCSC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253639136 YDJGESKTURUXSO-MQSSFBOBSA-N 352.540 5.071 0 1 FKAF Fc1ccc([C@@H](CC2CNC2)Oc2ccc(Cl)c(Cl)c2)cc1F 299837651 KHACQPYREOXZTB-QGZVFWFLSA-N 358.215 5.001 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1 586962753 HCLQHWQAVBHWLZ-JTQLQIEISA-N 365.271 5.459 0 1 FKAF CCCCCC[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991449 MLWNHMRZQAJBPT-OAHLLOKOSA-N 371.480 6.152 0 1 FKAF Cc1nc2ccc(O)c3c2c(c1[C@@H]1C[C@H]2CC[C@H]1C2)-c1ccccc1C3=O 586992248 UNPQJAYQCVIWJW-GRDNDAEWSA-N 355.437 5.364 0 1 FKAF Clc1ccccc1-c1ccc(Cc2nc3cc4c(cc3[nH]2)OCO4)cc1 587062034 AKGVUEVIURVSCM-UHFFFAOYSA-N 362.816 5.203 0 1 FKAF Fc1cc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2cc1Cl 587083411 SINJPVVGUNIDCF-UHFFFAOYSA-N 366.610 5.877 0 1 FKAF Cc1cc(Br)cc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c12 587151958 XCQPQIXLGCCLFZ-VIFPVBQESA-N 367.193 5.052 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OCc3ccccc3)c1)O2 587399414 KQVPTPXAKOPLDS-XMMPIXPASA-N 373.452 5.037 0 1 FKAF CCCCCCc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403945 BBHADOZJSBUWLH-HSZRJFAPSA-N 351.490 5.581 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)cc1Cl)CC2=O 587459139 CECUGYNFOGTWJQ-IBGZPJMESA-N 365.256 5.532 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(CC)ccc1OCC)CC2=O 587477769 GPMXUOLEHWPPMX-NRFANRHFSA-N 354.446 5.012 0 1 FKAF CC(C)COc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522458 MDMLYXUTFFOXBN-JOCHJYFZSA-N 350.458 5.307 0 1 FKAF CCC[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602562 JZNOKCMVJUSRQJ-ZJSXRUAMSA-N 374.436 5.135 0 1 FKAF C[C@@]1(CCC2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602848 LLRKQIWLOQKESB-REWPJTCUSA-N 366.457 5.473 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3ccc(Br)c(F)c3)c2c1 587640034 BFNZDENQDCRIAZ-NSHDSACASA-N 360.270 6.558 0 1 FKAF CC(C)CC[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587818896 GFLUPRPFACEYJG-WTANOLMUSA-N 368.334 5.554 0 1 FKAF CC(C)(C)C[C@@]1(c2ccc(Cl)c(F)c2)NCCc2cccc(Cl)c21 963390339 HSPKDWKCESGZJX-FQEVSTJZSA-N 366.307 5.958 0 1 FKAF CC1=C2C[C@@]34CC[C@H]5CCC[C@H](C=C[C@H]3[N@]3CC36CCCC6)[C@@]4(C)[C@@]25CC1 2356352671 YEIBEVVNVXLGGP-JCORPHMJSA-N 363.589 6.256 0 1 FKAF CCCC1CCC2(CC1)CC[C@H]2OC(=S)Nc1ccccc1Cl 205704706 QGNYHJYTMHHPTN-LTCLLZNKSA-N 351.943 6.193 0 3 FKAF O=C1OC(c2ccccc2)(c2ccccc2)c2ccc3ccc(F)cc3c21 4743534 PSZLGKPDSWMVQI-UHFFFAOYSA-N 354.380 5.441 0 1 FKAF Cc1cc(C)c(-c2csc(NC(=O)/C=C/c3ccc(F)cc3)n2)c(C)c1 6221333 GDKQYVRRKWYXBO-RMKNXTFCSA-N 366.461 5.526 0 1 FKAF CCCC[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13470800 FPIHUZAABXEZHI-HXUWFJFHSA-N 363.501 6.593 0 1 FKAF C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccccc1)Oc1ccccc1-3 13796862 QXSLSLICSJPAFZ-CMJOXMDJSA-N 369.464 5.712 0 1 FKAF COc1cc(C(=O)O[C@H]2CC(C)=C3CC=C(C)[C@H]3C[C@@H]2C(C)C)ccc1O 15264306 YDLFKPPITJZFOQ-SBHAEUEKSA-N 370.489 5.275 0 1 FKAF CCN(C)[C@@H]1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)C1 19368503 HLPPSQPFFGNHHE-MJGOQNOKSA-N 372.965 5.114 0 1 FKAF CC(C)(CCCCOCCCCC(C)(C)CCC(=O)O)CCC(=O)O 28462953 ZYMDPKATIZSEDM-UHFFFAOYSA-N 358.519 5.126 0 1 FKAF C[C@H]1CN(C)[C@H](C)CN1[C@@H]1C[C@H](c2ccc(F)cc2)c2ccc(Cl)cc21 36093074 VPBCZFXEYITWLJ-BGXPRYDISA-N 372.915 5.080 0 1 FKAF Cc1ccc([C@H](CCN(C)C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 45286300 PKZUKNKGFLPJNY-DEOSSOPVSA-N 372.512 5.085 0 1 FKAF Cc1cc([C@@H](C)Nc2ccccc2)c2oc(-c3ccncc3)cc(=O)c2c1 51768839 BWCHMAXKQWYVNL-MRXNPFEDSA-N 356.425 5.337 0 1 FKAF CC[C@@H](C)[C@]1(C2CC2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 64373035 UQXDHWQVXMPCQL-QGHHPUGFSA-N 360.807 5.401 0 1 FKAF Cc1cnc(-c2cnc(NCc3ccccc3)nc2-c2ccccc2C)o1 82177601 IPQAGINELSWJOS-UHFFFAOYSA-N 356.429 5.028 0 1 FKAF Cc1ccccc1[C@@]1(C)CCC[C@]2(C)C3=C(CC[C@H]21)C[C@@H](C(C)C)CC3 103272609 FVXDBVLHFWCCQV-JSKMBAMBSA-N 350.590 7.606 0 1 FKAF Cc1[nH]c2ccccc2c1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 219016298 QENXHNYXVRQOKR-UHFFFAOYSA-N 368.484 5.424 0 1 FKAF CC(C)C1=C[C@H]2[C@@](C)(OC(=O)/C=C/c3ccccc3)CC[C@@H](O)[C@]2(C)CC1 238753833 IHVHEWJJIVUKSI-OUGOUTLESA-N 368.517 5.155 0 1 FKAF CC(=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C 255201277 BYWYKEGJFQILIV-WRWCMEPBSA-N 358.566 5.830 0 1 FKAF Clc1cc(Br)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 586887943 VNZOGMKSCMQVKT-SCLBCKFNSA-N 373.681 5.350 0 1 FKAF COC(=O)c1ccc(Oc2ccc3nc(-c4ccoc4C4CC4)[nH]c3c2)cc1 586900609 BWUDJIBMJHPUHS-UHFFFAOYSA-N 374.396 5.279 0 1 FKAF O[C@H]1C[C@@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)c2ccccc21 586904438 UAWPWTZHLFWKIJ-NQIIRXRSSA-N 358.466 5.283 0 1 FKAF Cc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1Cl 587029168 JIFUXIPDGKPMLV-UHFFFAOYSA-N 355.850 5.227 0 1 FKAF Clc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587048247 GNAQAYWQTBANMU-YUMQZZPRSA-N 372.082 6.448 0 1 FKAF CC(=O)c1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587051699 TWWIDEVPDQEYDM-UHFFFAOYSA-N 371.223 5.999 0 1 FKAF CC(C)c1nc2cccc3c2c(c1Cc1ccccc1)-c1ccccc1C3=O 587105971 CNKHEYHHJASXOG-UHFFFAOYSA-N 363.460 6.160 0 1 FKAF Cc1cc(Cl)cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587113740 YORXPZOCIIGRLI-UHFFFAOYSA-N 361.754 5.759 0 1 FKAF Fc1cc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)ccc1-c1ccccc1 587144855 DLMLWCQXQWGJLT-UHFFFAOYSA-N 374.415 5.121 0 1 FKAF O=C(O)c1cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2cc1F 587145132 IROWJWCSQGFVHO-UHFFFAOYSA-N 368.314 5.012 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1F 587151779 ITOSIXSURQFJOL-GHMZBOCLSA-N 370.346 5.724 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587160605 DRBQNXRWAQXQRC-GHMZBOCLSA-N 371.284 5.022 0 1 FKAF COc1cccc(-c2c(C)c(-c3ccccn3)nc3c2oc2ccccc23)c1 587362032 ATYLBZXDNSPXBH-UHFFFAOYSA-N 366.420 6.027 0 1 FKAF COc1cccc(-c2cc(-c3cn(C)nc3C)nc3c2oc2ccccc23)c1 587362372 IJXPJWFHZBREGR-UHFFFAOYSA-N 369.424 5.366 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccccc1C(C)C)O2 587389108 FFTKIFCVTWFKPA-QFIPXVFZSA-N 360.457 5.198 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(=O)C3CCC3)c1)CC2=O 587479292 CXOPSRQKJYGTIU-NRFANRHFSA-N 364.441 5.034 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1Cc1ccccc1)CC2=O 587487234 ZPMDTKXRLBBBAI-UUOWRZLLSA-N 364.485 5.482 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(C)(C)C)cc1O)CC2=O 587489811 PGOZAHFPHCSABA-HXUWFJFHSA-N 354.446 5.054 0 1 FKAF COc1c(C)cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587499403 SPEFDHQIGGFWBF-JOCHJYFZSA-N 370.876 5.416 0 1 FKAF C[C@]1(Cc2ccc(C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502559 AICMVWUTVQKHJA-NRFANRHFSA-N 374.402 5.551 0 1 FKAF CC1(C)Cc2ccc(Cl)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587504448 WNAUXFBKBZVSDJ-HSZRJFAPSA-N 366.888 5.662 0 1 FKAF O=C1C[C@@](c2ccccc2)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587506559 UDTIPLRDNBIGPD-RUZDIDTESA-N 372.439 5.614 0 1 FKAF C[C@]1([C@@H]2C[C@H]2c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587506608 KZMKRLKZVJBXBM-MIZPHKNDSA-N 350.433 5.232 0 1 FKAF FCc1c(-c2ccccc2Br)[nH]c2cc(Cl)c(F)cc12 587629479 RQYWUTAWWFVLOM-UHFFFAOYSA-N 356.597 5.859 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccc(Cl)cc2)N1 587701632 VKUGAWKVWYGIFQ-ZUZCIYMTSA-N 368.677 5.060 0 1 FKAF CC(C)C[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813318 UQWRAXKJBRHRHU-SGTLLEGYSA-N 356.323 5.410 0 1 FKAF CCCC[C@H](CC)C[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821743 XHTHZVBCJUJFSX-XEZPLFJOSA-N 356.323 5.770 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 587925817 UYBISWHYZIWVQC-UHFFFAOYSA-N 351.418 6.218 0 1 FKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1 587928761 CAVMHPQYGHNCPJ-YADARESESA-N 370.452 5.809 0 1 FKAF COc1ccc2c(c1)CCC=C2Cc1nc2cccc(OC(F)(F)F)c2[nH]1 587933918 ABRYEKWSKMQBRZ-UHFFFAOYSA-N 374.362 5.042 0 1 FKAF Clc1cc(Br)cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 587960691 QMYQLUMFFMBEGZ-AAEUAGOBSA-N 361.670 5.325 0 1 FKAF Clc1cc([C@@]2(C3CC3)c3ccsc3CCN2Cc2ccco2)ccn1 962701869 FDLZRAGYYUXGNZ-FQEVSTJZSA-N 370.905 5.101 0 1 FKAF CC(C)(C)c1ccc(-c2cn(-c3ccc(Oc4ccccc4)cc3)nn2)cc1 2382244379 MQQVKJSWALYRQF-UHFFFAOYSA-N 369.468 6.024 0 1 FKAF CCCCc1c(-c2ccc(F)cc2)ncn1CCc1ccccc1OC 95565782 BLTCTTCDKUBINX-UHFFFAOYSA-N 352.453 5.283 0 3 FKAF CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 3905420 RZCHUWOWWZKPOH-HIKRFXOYSA-N 374.528 5.465 0 1 FKAF CCc1ccccc1NC(=O)c1ccc2nc(CCc3ccccc3)oc2c1 8611676 YVSFWYOBRXMEFS-UHFFFAOYSA-N 370.452 5.428 0 1 FKAF O=C(O)c1ccc2c(c1)[C@@H](SCc1ccccc1)c1ccccc1CO2 13827503 MOHCIIDBJLWIHN-NRFANRHFSA-N 362.450 5.300 0 1 FKAF COc1c(CCCCCCCCCCCC(C)=O)[nH]c2ccccc2c1=O 14511131 BCBKLCYXAVRVRC-UHFFFAOYSA-N 371.521 5.569 0 1 FKAF biogenic,in-vitro CCOC(=O)c1ccc(OCCCCCCCCc2cc(C)no2)cc1 27864787 WPPJJIWWSXEITJ-UHFFFAOYSA-N 359.466 5.122 0 1 FKAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@@H]3CC[C@]12C 29560638 HUBQDSPJUPTEJO-PEBPRRILSA-N 355.566 5.646 0 1 FKAF CCN(CC)CCC[C@H](C)Nc1ccnc2cc(OC(F)(F)F)ccc12 49051396 VXRYQXITUHHEHO-AWEZNQCLSA-N 369.431 5.056 0 1 FKAF Fc1cccc(Oc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 72178950 JIJLVMSGAFOXBY-UHFFFAOYSA-N 357.599 5.388 0 1 FKAF Cc1ccc(N(Cc2cccc(Cl)c2)Cc2nc3ccccc3[nH]2)cc1 96922633 KNGVHXXICDIHLL-UHFFFAOYSA-N 361.876 5.732 0 1 FKAF Clc1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)cc1Cl 100065486 GCLNPDSGRSGDTC-UHFFFAOYSA-N 354.240 5.405 0 1 FKAF Clc1ccc(C(OC2C[C@@H]3CC[C@@H](C2)N3)c2ccc(Cl)cc2)cc1 100872583 FQBNNMLRILIAJK-ROUUACIJSA-N 362.300 5.382 0 1 FKAF c1ccc2nc(COc3ccc4ncn(C5CCCCC5)c4c3)ccc2c1 103245991 SXXFSFLRWWNRRB-UHFFFAOYSA-N 357.457 5.669 0 1 FKAF COc1ccc(-c2sccc2-c2cc(OC)c(OC)c(OC)c2)cc1 137771093 ZSBIWMKMEKCGGR-UHFFFAOYSA-N 356.443 5.117 0 1 FKAF COc1cc2cncc(Cc3ccc4c(c3)Cc3ccccc3-4)c2cc1OC 145140704 VTLRBOUCHJFANG-UHFFFAOYSA-N 367.448 5.414 0 1 FKAF O[C@@H](C[C@@H]1CCCCN1)c1cc(-c2ccccc2)nc2cc(Cl)ccc12 169334642 MPCWZYMRZKKBIE-JTSKRJEESA-N 366.892 5.121 0 1 FKAF COc1cc2c(cc1C(C)C)C(=O)C[C@H]1C(C)(C)C[C@@H](OC(C)=O)C[C@]21C 238734970 ABEYRUZXTWMTSC-LDLFBNOTSA-N 372.505 5.031 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 586896169 IWEUGLLBLXMKOS-UHFFFAOYSA-N 370.330 5.501 0 1 FKAF Cc1cnc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 586974620 FPCDYURRMLDDCN-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Cl)c(Cl)cc2[nH]1 587012562 SWTAIKHJHBKVKV-UHFFFAOYSA-N 374.296 5.892 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(CNc3ccccc3Cl)nc2c1 587061402 GDAKSRFTVTWUKQ-UHFFFAOYSA-N 360.166 5.501 0 1 FKAF COc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1F 587063324 SZHGGDWFAWECEY-UHFFFAOYSA-N 366.823 5.622 0 1 FKAF CCOc1ccccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098491 SZXIUNTZFMADKA-UHFFFAOYSA-N 365.432 5.820 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC1(CCOCC1)C4)-c1ccccc1C2=O 587100779 IITCQFWFQNOEJX-UHFFFAOYSA-N 369.464 5.040 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c2)c1 587233930 WZDRQPPGTDIXLH-UHFFFAOYSA-N 355.485 6.236 0 1 FKAF COc1cccc(-c2c(C)c(C3=NCCS3)nc3c2oc2ccccc23)c1 587366335 NASNKUPACZHSBP-UHFFFAOYSA-N 374.465 5.458 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1O[C@@H](C)CC)CC2=O 587488146 YOCGKQDBODUEQS-LHSJRXKWSA-N 354.446 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1C)(C1CC1)CC2=O 587488284 IUQJBMBXLSIVTO-HSZRJFAPSA-N 350.458 5.010 0 1 FKAF O=C1C[C@H](c2c[nH]c3cccc(Cl)c23)Oc2c1ccc1c2CCCC1 587503886 ZVNWEPLVDXHKIF-LJQANCHMSA-N 351.833 5.407 0 1 FKAF CCC[C@@]1([C@H]2CCOC(C)(C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 587534917 GXEMPJLUSAMPJS-SBUREZEXSA-N 356.506 5.275 0 1 FKAF Cc1cccc2c1[C@H](C)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604972 WLAHCLCVVRGBCJ-SJODRWRQSA-N 372.420 5.065 0 1 FKAF CCC[C@]1(c2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620587 ZTJZLBPTSWMXPI-WIYYLYMNSA-N 366.438 5.111 0 1 FKAF CCOC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2ccc([C@@H](C)CC)cc12 587643498 UXTCJRFVVKFPLV-ZDUSSCGKSA-N 367.420 5.233 0 1 FKAF CC(C)(C)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650250 ZZBKCQKDFZXDDY-UHFFFAOYSA-N 361.894 5.189 0 1 FKAF Cc1cc(C)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 587783728 FVEVZAKNTVVACX-RAXLEYEMSA-N 354.453 5.929 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3ccccc23)N1 587824879 ZUQRNMYGUCZEEG-ODXCJYRJSA-N 370.265 5.365 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CC1CCCCC1 587862681 VTYSBPBGLUAJFD-UHFFFAOYSA-N 366.383 5.188 0 1 FKAF CCOC(=O)COc1ccc(-c2nc(-c3ccc(C)c(C)c3)cs2)cc1 587921425 XDDQXTALJSKQOZ-UHFFFAOYSA-N 367.470 5.036 0 1 FKAF COc1cccc([C@H](C)Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587929497 BLNMMASEKRUWDU-MRXNPFEDSA-N 358.441 5.710 0 1 FKAF O[C@H]1CCc2c(/C=C3\c4ccccc4COc4cc(F)ccc43)cccc21 653723346 UOJKBHZFSVNGQE-GSFLASDGSA-N 358.412 5.287 0 1 FKAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1ccc(C2CCC2)cc1 962394360 AIFLGWKCEBIAKE-QHCPKHFHSA-N 362.542 5.502 0 1 FKAF FC(F)(F)c1ccc(-c2cc(-c3ccccc3)c3ncccc3n2)cc1 1857744741 OHDFJZKMBKLETB-UHFFFAOYSA-N 350.343 5.983 0 1 FKAF CC(=O)Oc1c(CC=C(C)C)c(O)cc(O)c1CC=C(C)CCC=C(C)C 2356426466 ADBQRDHBBYFMGY-UHFFFAOYSA-N 372.505 5.767 0 1 FKAF CC(=O)CCCCCCCCCCCCC=Cc1ccc2c(c1)OCO2 2356483657 RSLLRVSPUBUTHT-UHFFFAOYSA-N 358.522 6.699 0 1 FKAF CC(C)=C[C@H](O)[C@@H](O)[C@H](C)CCCC(C)=CCc1c[nH]c2ccccc12 2356622594 JMJIEBPTDSDJNZ-LEOXJPRUSA-N 355.522 5.151 0 1 FKAF C[C@@H]1CC=C[C@]2(CCC[C@H]3[C@@H]2CCC[C@@H]3Cc2cc(O)cc(CCO)c2)C1 2356634408 HCZIZZTYUPOQQP-ASQNBKIBSA-N 368.561 5.658 0 1 FKAF CC[C@H](C)CCCCCCCCCCCCC[C@H](O)CC1=CC(=O)OC1 2356800005 POQVWCOTAJKMEE-UNMCSNQZSA-N 366.586 6.338 0 1 FKAF Clc1ccc(-c2c[nH]cc2[C@H](c2ccccc2)n2ccnc2)cc1Cl 5974669 OVOQXMFWIPCZMN-FQEVSTJZSA-N 368.267 5.823 0 1 FKAF C[C@H]1CN(CCc2cccc3ccccc23)CC[C@@]1(C)c1cccc(O)c1 13833000 KPIXEAVPOJWMOY-UQBPGWFLSA-N 359.513 5.388 0 1 FKAF Cc1cc2c(cc1NC(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 26276974 PMVPBNHYUQQVEK-UHFFFAOYSA-N 365.473 5.295 0 1 FKAF Cc1cc(Oc2ccc(Cl)cc2CC(=O)O)c(Cl)c(C)c1Cl 28766132 GURFVQVAPISBCX-UHFFFAOYSA-N 359.636 5.683 0 1 FKAF Cc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1 28817083 IFEJQGWUIGIJPD-UHFFFAOYSA-N 357.497 5.068 0 1 FKAF in-vivo CCCCCCC1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 28817140 MJJFIAIFQWXWHK-UHFFFAOYSA-N 351.534 5.573 0 1 FKAF in-vivo C[C@H](/C=C/C(=O)O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 33820892 TUWMCXHMEUWKHE-USQPYEFQSA-N 372.549 5.203 0 1 FKAF Cc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(Cl)cc32)cc1 40878800 CHNCOVHBCGKKSR-INIZCTEOSA-N 360.910 5.237 0 1 FKAF Cc1ccc2cc(-c3n[nH]c4ccc(NCc5ccccc5)cc34)[nH]c2c1 66165896 DEDAWVUJRZIKFY-UHFFFAOYSA-N 352.441 5.632 0 1 FKAF CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(-c2cccc(Cl)c2)cc1 95564114 XLQSIXAZWAVIRG-GMAHTHKFSA-N 365.948 6.431 0 1 FKAF O=[N+]([O-])c1ccc([C@H]2CC(c3ccco3)=Nc3ccccc3S2)cc1 111919261 QHRCZGQDROTWOC-LJQANCHMSA-N 350.399 5.546 0 1 FKAF c1cc(CN2CCC[C@@H](Nc3cccc4cnccc34)C2)cc(C2CC2)c1 114332583 CLCMIAAQLBZPHZ-JOCHJYFZSA-N 357.501 5.189 0 1 FKAF CC/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 136041775 XDPJDMBYHDXXRP-GVXIOPDWSA-N 356.594 6.529 0 1 FKAF C[C@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]12 141093277 PCZKIPYRGNBQOP-WLXSPJOFSA-N 363.545 5.933 0 1 FKAF O=C(/C(=C(\C=C1/CC=CCC1)c1ccccc1)c1ccccc1)N1CCCC1 169345500 PZIMJULQPGMTFU-GRSWGFJJSA-N 369.508 5.886 0 1 FKAF CCOC(=O)c1sc(Nc2ccc3c(c2)CCC3)nc1-c1ccccc1 299863059 KMUUQZNYKBEQFC-UHFFFAOYSA-N 364.470 5.219 0 1 FKAF Cc1nccc2[nH]c(-c3cc(Br)ccc3OCCC(C)C)nc12 586980959 BXNIEJNATQASDV-UHFFFAOYSA-N 374.282 5.121 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(F)cc1CC3 586988328 JYIZHGZPUFOYAB-UHFFFAOYSA-N 367.379 5.057 0 1 FKAF CCCc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991143 JTSRMADGVIMYFM-UHFFFAOYSA-N 365.432 5.771 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1c(F)cc(F)cc1C4)-c1ccccc1C2=O 586997618 UAPPGVIJLCNSHM-UHFFFAOYSA-N 369.370 5.604 0 1 FKAF Clc1cccc(/C=C\c2nc3ccc(Br)nc3[nH]2)c1Cl 587056182 ZPPBAKQGBBCSNO-DAXSKMNVSA-N 369.049 5.198 0 1 FKAF Cc1cc2nc(-c3noc(C)c3COc3ccccc3Cl)[nH]c2cc1C 587062944 DBOGNTMMPWMFDC-UHFFFAOYSA-N 367.836 5.376 0 1 FKAF FC(F)(F)c1cccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 587076398 LRYICHXDAKQJGH-UHFFFAOYSA-N 350.771 5.705 0 1 FKAF Cc1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587083736 ISMWAYQSSASPDY-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF CCC[C@H]1CC(C)=Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587102170 YYZWPYLQNXWJEC-INIZCTEOSA-N 353.465 6.445 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@H]3c1cccnc1 587105725 GMKPQPSBAQHFMK-INIZCTEOSA-N 362.432 5.309 0 1 FKAF CCOc1cc(/C=C/c2nc3ccc(CC)cc3[nH]2)ccc1OC(F)F 587130727 OYHZVGSCKDPEJI-JXMROGBWSA-N 358.388 5.296 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccs4)cc1F)[C@@H](C2)C3=O 587426828 QHVAVRASJILARR-YCRPNKLZSA-N 366.413 5.052 0 1 FKAF CCCCOc1cccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 587482652 PQJQHQQXYCEBTH-NRFANRHFSA-N 354.446 5.230 0 1 FKAF Cc1ccc(OC(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587509798 WRUAENYKWDFNBU-LJQANCHMSA-N 358.384 5.182 0 1 FKAF O=C1C[C@@]2(CCCC[C@H]2C2CCCCC2)Oc2c1ccc1c2CCCC1 587527373 UOEAVCYNQXVWNY-XUZZJYLKSA-N 352.518 6.040 0 1 FKAF Cc1oc(-c2cccs2)nc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587531092 JNQNKKAZUYDKOC-QGZVFWFLSA-N 365.454 5.297 0 1 FKAF C[C@]1(c2cc(Cl)sc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587531494 LGBXVAWARUIKRA-GOSISDBHSA-N 367.297 5.814 0 1 FKAF O=C1C[C@@]2(CC3(CCCC3)Oc3ccccc32)Oc2c1ccc1c2CCCC1 587535071 IIRKKYZOHCNDJZ-VWLOTQADSA-N 374.480 5.521 0 1 FKAF CC(C)CC[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604099 QWQHNICJZJXBQP-YBVWCTEOSA-N 366.457 5.329 0 1 FKAF Cc1cc(Cl)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587700555 UUHSZVYDIKWSIZ-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF Cc1ccc(-c2csc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)cc1C 587920081 DCBJLGSDJIHNJG-MRXNPFEDSA-N 358.507 5.151 0 1 FKAF c1ccc(COc2ccc3nc(C[C@@H]4C[C@H]4c4ccccc4)[nH]c3c2)cc1 587959516 GBHYIKUZHDCZJO-FPOVZHCZSA-N 354.453 5.488 0 1 FKAF Clc1cc(Cl)c2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1 587959664 RPZZNXCMVQTLBO-UHFFFAOYSA-N 353.252 6.128 0 1 FKAF CSc1ccc(-c2cccc([C@H]3NCCc4ccc(F)c(C)c43)n2)cc1 962296164 FDWIOXNCEQYVPS-JOCHJYFZSA-N 364.489 5.153 0 1 FKAF Cc1ccncc1C1=CC=C2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1772614884 YSMWLKIEBIIILJ-UMASOYDPSA-N 361.529 5.915 0 1 FKAF C[C@@H](CC(=O)Nc1nnc(-c2cccc(Cl)c2)s1)CC(C)(C)C 1772651360 DKIWUMVKAFWULV-NSHDSACASA-N 351.903 5.259 0 1 FKAF Cc1ccc(SCc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1 1857553591 RDEGGMHOTWWMRV-NTCAYCPXSA-N 374.509 5.521 0 1 FKAF COc1cc(C(C)C)c(C(=O)CSc2nc3ccccc3o2)cc1C 1857563115 GEZJQZHWCDWXEK-UHFFFAOYSA-N 355.459 5.243 0 1 FKAF Cc1cc(-c2ccc(-c3csc(Nc4cccc(C)n4)n3)cc2)ccn1 1857628201 VKOULAHLJRQUJK-UHFFFAOYSA-N 358.470 5.628 0 1 FKAF C[C@@]1(c2nnc(-c3ccc(Cl)cc3)o2)CC(c2cccc(Cl)c2)=NO1 13660339 RLYSLGHKLJDRSQ-SFHVURJKSA-N 374.227 5.083 0 3 FKAF COc1ccc(-c2noc3c2-c2nc(-c4cccc(C)c4)sc2CC3)cc1 15937077 BNLSBXPYPYYGSX-UHFFFAOYSA-N 374.465 5.548 0 3 FKAF CCCCNc1ccc2c(c1)[C@H]1C[C@H]2CCN1C(=O)OCc1ccccc1 100616568 RDJMQSPYRINBCE-XMSQKQJNSA-N 364.489 5.470 0 3 FKAF O=C(/C=C/c1ccccc1)Oc1c(-c2ccccc2)oc2ccccc2c1=O 1961787 DOCCHSKWAGWQMA-FOCLMDBBSA-N 368.388 5.079 0 1 FKAF Cn1ccnc1C(=O)CCCCCCOc1ccc(-c2ccccc2)cc1 13587152 OFEAEGKDOQTGHL-UHFFFAOYSA-N 362.473 5.299 0 1 FKAF COc1cc2c(cc1O)O[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]1[C@H]2OC 14683865 JAGJWSBNJZPDNL-NJRJFZHGSA-N 374.521 5.482 0 1 FKAF biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 36440983 JUAATDNYHZEPLN-XWJVLSSFSA-N 358.522 5.086 0 1 FKAF biogenic CSc1ccc(-c2nc(-c3cccc(N)c3)c(-c3ccncc3)[nH]2)cc1 38143310 GQFFLNUYIXPHTE-UHFFFAOYSA-N 358.470 5.110 0 1 FKAF Cc1cc(Oc2ccccc2)ccc1NC(=O)Nc1cc(C(C)(C)C)on1 40395177 QHMJBZWTRPHKAG-UHFFFAOYSA-N 365.433 5.717 0 1 FKAF CCOc1cccc(-c2nc(CN[C@@H](C)c3cccc4ccccc34)co2)c1 72103561 VLLNNLMCNFFRMD-KRWDZBQOSA-N 372.468 5.744 0 1 FKAF CCCCCn1c(C(C)C)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188700 QMDBWAREJHGSNF-QGZVFWFLSA-N 365.525 5.356 0 1 FKAF CCCCCn1c(C2CC2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82197242 GAHABGUGVIZIJQ-INIZCTEOSA-N 363.509 5.110 0 1 FKAF c1ccc(CSc2nnc(Cc3ccccc3Oc3ccccc3)[nH]2)cc1 103263264 CTAZSVSCFUKFAJ-UHFFFAOYSA-N 373.481 5.480 0 1 FKAF CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(F)c3ccccc23)cc1 116390916 KCFOERATBKMTCI-NRFANRHFSA-N 368.404 5.110 0 1 FKAF CC[C@H](C)Sc1nc([C@@H](CC)c2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352229 MSFPDVKGKWUQCA-JQWIXIFHSA-N 368.905 5.303 0 1 FKAF CC(C)=CCC/C(C)=C\CN1C(=O)[C@@]2(OCCC=C[C@H]2C)c2ccccc21 195477260 BBKUPXVFOVUPDN-RQXHPJGPSA-N 365.517 5.534 0 1 FKAF 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@]12C 299805751 AZFLHSKQKSZOET-NNBUUULUSA-N 374.565 5.283 0 1 FKAF Cc1cc2nc(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)[nH]c2cc1C 586880280 WWBCFQCQPVGWNY-UHFFFAOYSA-N 356.425 5.520 0 1 FKAF CCc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1Br 586977374 MCSZRXDMNNSFBN-UHFFFAOYSA-N 370.077 5.862 0 1 FKAF Clc1ccc(-n2cccc2)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587051313 VNDNAIKUGWIZMR-UHFFFAOYSA-N 363.635 5.376 0 1 FKAF Cc1cc(Cl)cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587085232 NXPZJJRJQQRYQT-UHFFFAOYSA-N 355.228 5.302 0 1 FKAF C[C@H](c1nc2ccc(Br)cc2[nH]1)c1ccccc1C(F)(F)F 587098842 XKWQFZZWQPRGDV-VIFPVBQESA-N 369.184 5.496 0 1 FKAF O=C(c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1coc2ccccc12 587280853 CUCHSNOWTKJMCA-UHFFFAOYSA-N 373.355 5.806 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CCCc3ccccc32)[C@@H]1c1ccc(F)cc1 587347990 BVIIJBSPFYCMBI-VWNXMTODSA-N 374.411 5.122 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(F)(F)F)cc1Cl)O2 587381210 HOGMBXWVLNLCQR-KRWDZBQOSA-N 369.770 5.130 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)[nH]c3ccccc13)CC2=O 587459004 CCENFRPMOXWPMZ-KRWDZBQOSA-N 355.821 5.186 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(OCC)c(C)c1)CC2=O 587480123 NJOHNRDBYQRCBJ-HXUWFJFHSA-N 354.446 5.067 0 1 FKAF COc1ccc([C@]2(c3ccco3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531878 ILLUYZWRRJMIDA-DEOSSOPVSA-N 374.436 5.076 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)F)cc1 587556969 PNYUTZOBOQTLTK-FXAWDEMLSA-N 368.335 5.033 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3ccc4nc(C)ccc4c3[nH]2)cc1 587565317 ANMKDDKHAQGJIS-UHFFFAOYSA-N 359.473 5.686 0 1 FKAF Fc1ccc(-c2[nH]c3cc(F)ccc3c2CSc2ccccc2)cc1 587635055 ZHUYNTDTJHTDKA-UHFFFAOYSA-N 351.421 6.405 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c([C@H]3COCCN3C(=O)OC(C)(C)C)c2c1 587642050 JCKGGUVNHATNEP-AUUYWEPGSA-N 372.509 5.298 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2CCCC3)N1 587819513 IMMCTBFLYSSNNL-YUNKPMOVSA-N 374.297 5.091 0 1 FKAF C[C@@H](Cc1ccccc1)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820394 PEWDVAQEAUVGIU-XEKQOVJPSA-N 362.286 5.042 0 1 FKAF Fc1ccc2c(c1)-c1cc(n(-c3nc4cc(Cl)ccc4nc3Cl)n1)O2 587874420 ZQOXZYYCKYWPRO-UHFFFAOYSA-N 373.174 5.034 0 1 FKAF C[C@]1(c2cc(Cl)sc2Cl)c2c(F)cccc2C[C@@H]2CCCN21 963096750 GKGSAHXZBWKUHM-GTNSWQLSSA-N 356.293 5.478 0 1 FKAF CCC(CC)C(=O)Cc1c(-c2ccc(Cl)cc2)nn2c(C)cc(C)nc12 1772653842 CIODVEUJHZBFAQ-UHFFFAOYSA-N 369.896 5.214 0 1 FKAF CC=CCCCCCCC[C@@H]1[C@@H]2C=C[C@H]3[C@@H]4[C@H]2[C@H]1C[C@H]4C=C[C@H]3C(=O)O 2356340227 KFLDXHQJVVNZHY-BEEPAOLHSA-N 354.534 5.864 0 1 FKAF Fc1ccccc1CN(Cc1ccc(-c2ccccc2)cc1)n1ccnc1 3639504 HDUGLCAGKOHHPJ-UHFFFAOYSA-N 357.432 5.028 0 1 FKAF C=C[C@]1(C)CC[C@]2(O1)C(C)=C[C@H](OC(=O)CCC)[C@@H]1C(C)(C)CCC[C@@]12C 15167519 CLTOAYZHYUUWJE-NXYPFGISSA-N 374.565 5.985 0 1 FKAF biogenic CC(C)C[C@@H]1CN2C(=NC[C@H]2C2CCCCC2)N1CC1CCC(C)CC1 27209390 YUFCTXRFOLKQOF-FGGKUVOCSA-N 359.602 5.164 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C([C@@H](O)CC)C[C@H]21 27628781 HSVJVWLJEGYGAC-OTWHNJEPSA-N 358.522 5.487 0 1 FKAF CC(C)=CCC/C(C)=C\COc1ccc(/C=C2/SC(=O)NC2=O)cc1 28703435 UIDQYPQAVOSSPD-LBFIDVBJSA-N 357.475 5.082 0 1 FKAF Cn1c(-c2ccc(Cl)cc2Cl)nnc1-c1ccccc1C(F)(F)F 29042503 MNSSEMZFKILJRI-UHFFFAOYSA-N 372.177 5.475 0 1 FKAF CC[C@@H](C)[C@]1(O)CCN2C[C@@H](c3ccc(Cl)cc3Cl)CC[C@@H]2C1 29465475 BKZOLASRWKQNOE-DZASIIFFSA-N 356.337 5.112 0 1 FKAF CC1(C)C=Cc2c(ccc3oc(-c4ccc(Br)nc4)cc23)O1 40430893 PWYZHNPNNXHMSF-UHFFFAOYSA-N 356.219 5.442 0 1 FKAF CCO[C@@H](c1ccc(C(F)(F)F)cc1)[C@H](SC(C)(C)C)n1ccnc1 45393035 QPZWFNIAKRQNMF-HOTGVXAUSA-N 372.456 5.710 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cn1cc(-c2cccc(O)c2)nn1 59242908 HSJZKBKJKGJHPA-GNUCVDFRSA-N 365.521 6.070 0 1 FKAF CCCCCn1cc(C(=O)c2cccc(-c3ccccc3)c2)c2ccccc21 72118396 NDZOLXJQXWOFRU-UHFFFAOYSA-N 367.492 6.730 0 1 FKAF COc1cc(Cl)ccc1C(=S)Nc1cc(Cl)c(Cl)cc1O 84739992 XMEKVFZKLNOCPH-UHFFFAOYSA-N 362.665 5.149 0 1 FKAF Nc1nccn2c(-c3ccoc3)nc(-c3ccc(Oc4ccccc4)cc3)c12 96168189 TUGZHCPNPTWOOK-UHFFFAOYSA-N 368.396 5.031 0 1 FKAF CCC(C)(C)C1CCC(N2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)CC1 101376161 OPRXBLIAOOZDAC-AJTFCVKESA-N 368.565 5.429 0 1 FKAF Cc1cc(C)cc(-c2cc([C@H](O)C[C@@H]3CCCCN3)c3ccccc3n2)c1 169334841 LESUFCJHGHVDIG-YADARESESA-N 360.501 5.084 0 1 FKAF CCC/C=C/CSC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169360445 QXBFRDGMYMBQMJ-BHYVUXCHSA-N 352.540 5.071 0 1 FKAF CCc1c(C(=O)NCCc2ccccc2Cl)[nH]c2ccc(Cl)cc12 299855678 BFMXZNGNFWSMNV-UHFFFAOYSA-N 361.272 5.010 0 1 FKAF CCc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1CC 586878686 IQKLPLFLWVLZGN-UHFFFAOYSA-N 358.510 6.506 0 1 FKAF Cc1cc(Br)c2[nH]c(-c3c(C)ccc4ccccc34)nc2c1 586884844 ZOAQIFTVGSNSNT-UHFFFAOYSA-N 351.247 5.762 0 1 FKAF Cc1cc(C)c2[nH]c(-c3ccc(Br)c4cc(C)oc34)nc2c1 587003798 MVAOLDDMOCMVPE-UHFFFAOYSA-N 355.235 5.664 0 1 FKAF Cc1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1Br 587036800 NSMRODIGUHZYMP-AWEZNQCLSA-N 365.321 5.074 0 1 FKAF Clc1ccc(-c2cc(-c3nc4ccnc(Cl)c4[nH]3)ccc2Cl)cc1 587048353 UAILWFWOFLGSKY-UHFFFAOYSA-N 374.658 6.252 0 1 FKAF Cc1c(Cl)ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587050483 PCHCOQHGQHCDTI-UWVGGRQHSA-N 351.664 6.103 0 1 FKAF COc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1C 587138169 YUUUILBFSKQKEX-UHFFFAOYSA-N 369.621 5.102 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2CCCF)[C@@H]1c1ccc(F)cc1 587328274 BMXQEJZYHKOFCI-GNSUPJDDSA-N 372.411 5.179 0 1 FKAF C=C=C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349342 BPLLGNORAYHWIQ-UGKGYDQZSA-N 352.405 5.016 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](O)[C@@H]3C)c1 587367682 YTBPIGMKOXCHGU-SCLBCKFNSA-N 359.425 5.067 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(C)c(Cl)c1)O2 587377378 WWSXAXRNZDWJHY-HXUWFJFHSA-N 366.848 5.036 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(C3CCCC3)c1C)CC2=O 587471171 OKOSASWHRULLGN-QFIPXVFZSA-N 367.489 5.585 0 1 FKAF O=C1C[C@@H](c2c(Cl)oc3ccccc23)Oc2c1ccc1c2CCCC1 587502054 SKOCAKIQHXWBCB-SFHVURJKSA-N 352.817 5.672 0 1 FKAF Cc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1Cl 587507772 SOJJYDATSLFWBI-OAQYLSRUSA-N 358.840 5.547 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC[C@H](c1ccccc1)C2 587605370 ZENIPNCBUPPLNB-UQJUWTFNSA-N 372.420 5.060 0 1 FKAF Cc1[nH]c2ccccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587800278 AVYFKQMFGPNPRY-GIGQVBGESA-N 373.269 5.002 0 1 FKAF Cc1cc(C)cc(C[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587820735 QMOWKOYHDLWXSV-BFUOFWGJSA-N 362.286 5.023 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(C)(C)C[C@H]2C)N1 587822292 JRYOTMGKHNZWKB-SEDUGSJDSA-N 354.307 5.164 0 1 FKAF Cn1cccc1CN1CCc2sccc2[C@]12CCCC[C@H]2c1ccoc1 962401166 VWPPRFUJHCKQJU-SIKLNZKXSA-N 366.530 5.291 0 1 FKAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(C2CCCC2)s1 963036934 PXQXILDZHXTMST-QFIPXVFZSA-N 364.514 5.198 0 1 FKAF NC[C@H](Nc1nccc2ccc(-c3ccccc3Cl)cc12)c1ccccc1 1857613550 OLNLSVGXEZKPAK-QFIPXVFZSA-N 373.887 5.667 0 1 FKAF CN[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@@H](C)N(C)C)=CC[C@H]32)C1 2356748429 FDBPAKHHKJZPKD-GJLQDFBLSA-N 356.598 5.024 0 1 FKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]12C 2356779046 KBCDSNLTAKWEDU-NIHDRDSASA-N 372.637 6.855 0 1 FKAF CCCC[C@@H]1CCc2ccc(OCc3ccc4ccccc4n3)cc2[C@H]1O 2001560 HAAKJHPJDSOUSI-DVECYGJZSA-N 361.485 5.600 0 1 FKAF Clc1ccc2c(NCCCCCCCN3CCCCC3)ccnc2c1 13472668 ZEDMMBOZJOBNAI-UHFFFAOYSA-N 359.945 5.737 0 1 FKAF O=C(O)c1ccc(-c2ccc(-c3cc4c(Cl)ccc(Cl)c4o3)[nH]2)cc1 13809527 WEETWSJXNUQHMT-UHFFFAOYSA-N 372.207 6.100 0 1 FKAF CN1CCN([C@@H]2C[C@H](c3cccc(F)c3)c3ccc(Cl)cc32)CC1(C)C 36238029 OVWCWUCMWSYGNV-TZIWHRDSSA-N 372.915 5.082 0 1 FKAF O=C(Nc1ccc(Cl)cc1)c1ccccc1Cn1ccc2ccccc21 40764035 UYDZRGPDSJMKBR-UHFFFAOYSA-N 360.844 5.595 0 1 FKAF CC1(C)CC[C@@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)OC1=O 40916175 DXLSQWPBMJRKEP-PJPYIVHJSA-N 368.517 5.350 0 1 FKAF CCCN(CCC)CCCCCCOc1ccc(CN(CC)CC)cc1 49034878 PDXYPTRGBRONQF-UHFFFAOYSA-N 362.602 5.590 0 1 FKAF CC(C)(C)Cc1cnc(CCc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1 49066956 WUHNLICMJWTVIU-UHFFFAOYSA-N 362.473 5.149 0 1 FKAF COc1ccc(Nc2nccc3c2cc(-c2ccsc2)n3C)cc1OC 74387004 GXKHWSUYTICKFN-UHFFFAOYSA-N 365.458 5.063 0 1 FKAF CC1CCN(c2cc(Oc3ccc4oc5ccccc5c4c3)ncn2)CC1 82067431 HBUMBOPYYUWQMK-UHFFFAOYSA-N 359.429 5.405 0 1 FKAF CCC[C@H]1C(C(=O)OCC)=C(c2ccccc2)N=C(C)/C1=C(/O)SCC 100038016 DQAPCAIOIAMAQE-WFOVFMPGSA-N 373.518 5.374 0 1 FKAF Cc1nn(C(=O)C2(c3ccc(Cl)cc3)CCCC2)c2c1[C@H]1[C@H](C2)C1(C)C 104267641 DPHIZSSZIKDKFW-QFBILLFUSA-N 368.908 5.293 0 1 FKAF biogenic CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCSC1 144739065 YIIBQCYDEMJLIF-CVEARBPZSA-N 374.590 6.774 0 1 FKAF c1ccc(OCCN2CCCC2)c(CCC23CC4CC(CC(C4)C2)C3)c1 169327467 WPTDKHCWHRJWFW-UHFFFAOYSA-N 353.550 5.310 0 1 FKAF Cc1nc([C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)co1 261136315 MCSQKDICBVZIBS-FDPOVUBTSA-N 355.522 5.390 0 1 FKAF CC(C)SC[C@H](C(=O)c1ccc(Cl)cc1)n1cnc2ccccc21 473110416 VXHGHAZGRLBLTK-GOSISDBHSA-N 358.894 5.255 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)cc(F)cc4[nH]3)c21 587030306 BZTIVMNIZWRXMN-NSHDSACASA-N 369.440 5.800 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2ccc3ncccc3c2[nH]1 587066804 RSDGTGGIURHNLH-UHFFFAOYSA-N 351.837 5.085 0 1 FKAF O=C1c2ccccc2-c2cc(-c3c(F)ccc(F)c3F)nc3cccc1c23 587102631 BYWWHSJZJKEWLF-UHFFFAOYSA-N 361.322 5.531 0 1 FKAF C[C@@]1(CCC2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349549 CIBGLOTYLRGDLP-GGAORHGYSA-N 368.448 5.619 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2(CCOCC2)C3)c1 587367286 VCLJRHAOXLRUKP-UHFFFAOYSA-N 371.436 5.261 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(OC3CCCCC3)c1)O2 587381545 ITLJZUMQDMKYFA-FQEVSTJZSA-N 369.436 5.134 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCCCCCCC2 587605217 YJILXEOMLNHHDH-LJQANCHMSA-N 352.430 5.227 0 1 FKAF CCOC(=O)CCc1c(-c2ccccn2)[nH]c2ccc([C@H](C)CC)cc12 587643950 LETSYSJKOFAIHK-OAHLLOKOSA-N 350.462 5.239 0 1 FKAF CCCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587849797 VNMNFCKHEMQGHQ-QGHHPUGFSA-N 368.315 5.226 0 1 FKAF CC/C(=C/c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)c1ccc(C)cc1 587968034 RXHPXCHKONIQHX-PEZBUJJGSA-N 368.484 5.653 0 1 FKAF CN1CC[C@@]2(C[C@H]1c1ccccc1)NCCc1cccc(-c3ccccc3)c12 962668781 XYTBJLSXMLSWHY-AHWVRZQESA-N 368.524 5.162 0 1 FKAF COc1cccc(CC[C@]2(C3CC3)c3c(F)cccc3C[C@@H]3CCCN32)c1 963105333 PQYBUHLZNHBJSF-RDPSFJRHSA-N 365.492 5.093 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(SCC(C)C)cc1 963228647 MHYHEFXRWPRZOR-FDDCHVKYSA-N 353.575 6.181 0 1 FKAF CC1(N)CCN(c2nc(-c3cccc4c3oc3ccccc34)cs2)CC1 1772611950 FICSZNFWYSULIF-UHFFFAOYSA-N 363.486 5.027 0 1 FKAF CC[P@](=O)(OC)c1ccc2nc(-c3ccccc3C(F)(F)F)oc2c1 1911586019 KLIKWTIURFPRTF-VWLOTQADSA-N 369.279 5.083 0 1 FKAF CN(C)CCc1c(-c2ccccc2)c2cccc3c2n1-c1ccccc1CC3 5317756 XSJGUSVLDONBPZ-UHFFFAOYSA-N 366.508 5.500 0 1 FKAF Nc1ccc2n[nH]c(NCc3ccccc3Cl)c2c1Oc1ccccc1 28461213 RHGZXGSTOOVBJG-UHFFFAOYSA-N 364.836 5.203 0 1 FKAF CCc1nc2c(-c3ccc(Cl)cc3Cl)ncnc2n1[C@H](C)C1CC1 28757691 GZCYZHKSDVXFKV-SNVBAGLBSA-N 361.276 5.334 0 1 FKAF Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cnccc2[nH]1)C1CC1 34635096 ACXWUSNNWQQMLC-QHCPKHFHSA-N 366.480 5.062 0 1 FKAF CC(=O)OC(C)(C)[C@H]1CC/C(C)=C\CC/C(C)=C\CCC2=C[C@@H]1OC2=O 38543588 JRHSHBMAWLBQTD-BWGJLUHESA-N 360.494 5.043 0 1 FKAF Oc1cc(Cl)ccc1Oc1ccccc1CNCc1ccc(Cl)cc1 40563939 XOEGMJVXNFIRAC-UHFFFAOYSA-N 374.267 5.781 0 1 FKAF CC(C)[C@H](C(=O)Nc1nc2cc(Cl)ccc2o1)c1ccc(Cl)cc1 45394086 BEIGLEPJTIPDQW-INIZCTEOSA-N 363.244 5.513 0 1 FKAF Cc1ccc(C(=O)C[C@H](Nc2ccc(F)c(F)c2)c2cccc(F)c2)cc1 49863765 CERYSTJXCNLSTB-NRFANRHFSA-N 369.386 5.839 0 1 FKAF CCCC[C@@H](COc1ccc(C(=O)OCC)cc1)Oc1ccccc1C 90427264 BPCMKNSIRUNMDX-FQEVSTJZSA-N 356.462 5.188 0 1 FKAF CC(C)C[C@H](Sc1ccccc1)c1c(O)cc(-c2ccccc2)oc1=O 96942046 XFVAZZZKQWGAJJ-FQEVSTJZSA-N 366.482 5.892 0 1 FKAF CCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 169295590 NSMKWGGRWAFJDI-LTDXUTRSSA-N 360.501 5.123 0 1 FKAF CO[C@@H]1CCC[C@@H](c2cc(N)c3c(c2)OC(C)(C)C2=C3C[C@@H](C)CC2)C1 169323109 SDLGIEWKBSPTDG-ZMSDIMECSA-N 355.522 5.686 0 1 FKAF Cc1ccc2c(c1)N[C@H](c1ccccc1F)[C@@H]1C(=O)CC(C)(C)CC1=N2 169722122 ZSBMMHHNMNYYCN-LEWJYISDSA-N 350.437 5.379 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4nc(OC)ccc4[nH]3)cc2)CC1 586881992 ZUJOLNOWXJXCFC-QAQDUYKDSA-N 363.505 6.098 0 1 FKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cnccc2[nH]1 586981392 BASRNVLXOMIFFX-CQSZACIVSA-N 358.283 5.093 0 1 FKAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cs1 587021007 HGTYMZAYKSLAEI-UHFFFAOYSA-N 372.453 5.782 0 1 FKAF Clc1ccccc1OCc1ccc(-c2nc3c(Cl)cncc3[nH]2)o1 587065255 WSHQGWMPEHCAPW-UHFFFAOYSA-N 360.200 5.104 0 1 FKAF FC(F)(F)Oc1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587077680 XDQKYYNJDJMNRO-UHFFFAOYSA-N 366.770 5.585 0 1 FKAF CC(=O)c1[nH]c(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1C 587106932 PAUOBTFSGSAWSK-UHFFFAOYSA-N 366.420 5.261 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C(C)C[C@H]3C)c1 587364752 CLUZEYGOHHIPRJ-OAHLLOKOSA-N 355.437 6.567 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2O[C@]2(C)CC3)c1 587367005 VWXBPAFIXQQWCE-XZOQPEGZSA-N 357.409 5.433 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)F)cc1Cl)O2 587381211 HOGMBXWVLNLCQR-QGZVFWFLSA-N 369.770 5.130 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc([C@H](C)CC)cc1)CC2=O 587477990 AJKQMQSCOLXHKI-CMJOXMDJSA-N 352.474 5.739 0 1 FKAF C[C@]1(c2ccc(-n3cccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516480 UGIZYPIITKTIFM-XMMPIXPASA-N 357.453 5.237 0 1 FKAF Fc1ccc2c(C(F)(F)F)c(-c3ccc(Br)cc3)[nH]c2c1 587634436 YPWUNXIOYZEXPM-UHFFFAOYSA-N 358.132 5.755 0 1 FKAF Cc1cccc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 587801921 IGISFPWEEDHPIQ-WLRWDXFRSA-N 373.269 5.002 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2c2ccccc2)N1 587822443 KKDGCZGOMOKSFU-PSGMQZRDSA-N 374.297 5.285 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2Cl)N1 587848063 ZDCVGIZIHMYICT-GLEZIHRCSA-N 374.706 5.101 0 1 FKAF C/C(=C\c1nc2c(Br)cnc(Cl)c2[nH]1)C1CCCCC1 587966141 AYDIBFUJHOEWDI-VQHVLOKHSA-N 354.679 5.357 0 1 FKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(Br)cc(Cl)c3[nH]2)C1 587968374 BCCAQQDEEUDOKD-NXEZZACHSA-N 355.707 5.909 0 1 FKAF C/C(=C/c1nc2c(Cl)c(Br)cnc2[nH]1)C1CCCCC1 587969529 YYFXVYJFZHLLRE-CLFYSBASSA-N 354.679 5.357 0 1 FKAF FC(F)(F)Oc1ccc(-c2cn3c(-c4cccs4)cnc3cn2)cc1 653752977 VTXVWDDEXYEYJF-UHFFFAOYSA-N 361.348 5.023 0 1 FKAF Cc1ccc2cc([C@@]3(C)NCCc4cccc(-c5ccccc5)c43)oc2c1 962666947 UHQIGNDAGOOXGZ-RUZDIDTESA-N 353.465 5.817 0 1 FKAF CN1CCc2c(Br)cccc2[C@@H]1CCCCOc1ccccc1 963289296 LXIGQFDFCKCFGH-FQEVSTJZSA-N 374.322 5.227 0 1 FKAF CCC(C)(C)c1ccc(OCCCCCCCCN2CCC[C@H](C)C2)cc1 1857538282 GBEKSZVQFLMGCF-QFIPXVFZSA-N 373.625 6.826 0 1 FKAF Clc1ccc2[nH]c3c(c2c1)CCN(c1nc2c(Cl)cccc2s1)C3 1857554836 FUCGKFGBTMYCSU-UHFFFAOYSA-N 374.296 5.647 0 1 FKAF CC(C)(C)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 1857613476 ALUZZYWIKXZIES-UHFFFAOYSA-N 353.469 6.338 0 1 FKAF CC(C)=CCc1c(O)cc(C=Cc2ccccc2)c2c1OC(C)(C)[C@H](O)C2 2356505890 UAXXMVQLCVNGIS-JOCHJYFZSA-N 364.485 5.146 0 1 FKAF CC(C)[C@@H](C(=O)Nc1nc(-c2cccnc2)cs1)c1ccc(Cl)cc1 6969372 YHUCCEWONYIORT-QGZVFWFLSA-N 371.893 5.237 0 1 FKAF CC(C)c1ccc(O[C@H](CCCCCc2ccc(Cl)cc2)C(=O)O)cc1 13604758 QTTPYRPTTZZWRC-OAQYLSRUSA-N 374.908 6.099 0 1 FKAF c1ccc(CCNc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1 13672209 CYSDHZJPDQKSJB-UHFFFAOYSA-N 364.452 5.228 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2 13765592 WREHREIPYKSRLY-UHFFFAOYSA-N 366.545 7.243 0 1 FKAF C[C@]12CC[C@@H]3[C@@H](CCC4=C(SCF)C(=O)CC[C@@]43C)[C@H]1CCC2=O 36289296 NJRKOHLHHUDPLF-WKCOJUMOSA-N 350.499 5.075 0 1 FKAF Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nc(-c2ccccc2)c[nH]1 40867092 XJSONPWAOSFLQL-UHFFFAOYSA-N 368.440 5.381 0 1 FKAF CCCCc1ccc(-[n+]2c(C)cc3cc(OC)cc(OC)c3c2C)cc1 40919090 GZHCQOCJZIUAKO-UHFFFAOYSA-N 350.482 5.093 0 1 FKAF CNCCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 40980978 JYDSPORIDWNWOG-GOSISDBHSA-N 358.312 6.278 0 1 FKAF CC(C)Sc1ccc(C[C@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1 45322614 PEMJBGWIXSBYQD-MGPUTAFESA-N 363.954 5.095 0 1 FKAF CC(C)c1cc(C(C)C)n(C[C@@H](OC(=O)Nc2ccccc2)C(C)C)n1 45497596 HUNIRXLMLOJUDC-HXUWFJFHSA-N 357.498 5.403 0 1 FKAF CCN(CC)CCC[C@@H](C)N[C@H](C)c1cc2c(cc1OC)OC(C)(C)C=C2 96932087 FGINLUYCGMNEEW-QZTJIDSGSA-N 374.569 5.041 0 1 FKAF CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(C)o2)C2=C(O)CCCC2=N1 102581158 GKTWZZIZYUEJMK-NRFANRHFSA-N 369.461 5.272 0 1 FKAF CC[C@]12CCCN(Cc3ccccc3)[C@H]1c1c(n(C)c3ccccc13)CC2 105503672 AYTQCCBUFYJHMJ-LOSJGSFVSA-N 358.529 5.858 0 1 FKAF CC(=O)CC[C@@H]1C(C)(C)CCC[C@@]1(C)C(=O)CC/C(C)=C/COC(C)=O 238783236 KHGRKRPUNMGKCC-AIZPKQFESA-N 364.526 5.047 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(C)nc(C)c4[nH]3)cc2)CC1 586879016 CMHRSBWNMCYAPJ-WGSAOQKQSA-N 361.533 6.706 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 587080395 MMEWNACKUWZAQB-CYBMUJFWSA-N 356.706 5.050 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 587153299 PTNKRLUUEKGIDK-UHFFFAOYSA-N 356.322 6.055 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587160348 BNBQHNNVNOTQMH-UWVGGRQHSA-N 367.168 5.014 0 1 FKAF Fc1nc(Cl)ccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587178034 MLVFGUQBWYMQNS-UHFFFAOYSA-N 355.825 5.569 0 1 FKAF Oc1c(Br)cc(Cl)cc1-c1cc2c3c(cccc3n1)CC2 587207606 HDICTRDIJNLMRH-UHFFFAOYSA-N 360.638 5.122 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3F)o1)CC2=O 587466266 KAGLDTWYAHFUGG-OAQYLSRUSA-N 366.388 5.450 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3nccs3)c1)CC2=O 587498058 YJMIXDCFJPXQCH-IBGZPJMESA-N 365.454 5.175 0 1 FKAF C[C@@]1(c2ncc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587505258 ZGGYAPHMAWLAAO-IBGZPJMESA-N 362.256 5.148 0 1 FKAF COc1cc(C)c(Cl)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587510364 YRCQLEPVIZSXEF-JOCHJYFZSA-N 370.876 5.416 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1Cc1ccc(Br)cc1 587629032 YLSLBMJJPRUQCU-UHFFFAOYSA-N 352.634 5.622 0 1 FKAF Cc1ccc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587800649 CBJGFPBNVRAAOH-WLRWDXFRSA-N 373.269 5.002 0 1 FKAF C[C@H]1c2ccccc2CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587816821 DQPLIJGXKCWFFR-UVARLRKDSA-N 374.297 5.068 0 1 FKAF Cc1cc(C)cc(C[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587821005 SFELWJLKEAXKDC-DYVFJYSZSA-N 362.286 5.023 0 1 FKAF C[C@H](C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)CC(C)(C)C 587821791 XQSPHNACGPRWJB-JMSVASOKSA-N 356.323 5.626 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2C)(C2CCCCC2)N1 962953296 QPVVARURJDGVRT-FQRUVTKNSA-N 372.556 6.225 0 1 FKAF COc1ccc([C@@H]2NCCc3c2sc(C)c3C)cc1O[C@@H]1C=CCCC1 963023093 LDHQEYGYOMIXLH-UTKZUKDTSA-N 369.530 5.096 0 1 FKAF FC(F)(F)c1ccc(Nc2cc3nc(C4CCCCC4)[nH]c3cn2)nc1 1857761861 DVZIOYUWLNGVSX-UHFFFAOYSA-N 361.371 5.163 0 1 FKAF CC(C)=CCC[C@]1(C)CCC[C@@]2(C)C(CCC(C)=CC(=O)O)=C(C)CC[C@H]12 2356562373 VMXBEUNFNFIWLY-GPXOXTDOSA-N 372.593 7.467 0 1 FKAF Fc1cc(F)cc(CCc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 2382260869 QTSGFRRREQFWGK-VQHVLOKHSA-N 361.395 5.192 0 1 FKAF Cc1c(C)c(C)c([C@@H](CCCCCC(=O)O)c2ccc(F)cc2)c(O)c1C 13456333 NHHQNGUCEHAEJW-FQEVSTJZSA-N 372.480 5.932 0 1 FKAF CC(C)=C/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 13490428 VRWXHHASXOUVMH-FBHDLOMBSA-N 361.460 6.800 0 1 FKAF Cc1sc2ncnc(N)c2c1-c1ccc(Nc2nc3ccccc3o2)cc1 13673595 LVYKWIIPVPBKJT-UHFFFAOYSA-N 373.441 5.134 0 1 FKAF CCCCC/N=c1\ccn([C@H]2CCc3ccccc32)c2cc(Cl)ccc12 13741419 LJICSCKXMUQXCM-SCIJIFGBSA-N 364.920 5.921 0 1 FKAF C[C@H](NC(=O)Nc1cccc2cnccc12)c1ccc(C(F)(F)F)cc1 14973613 FIRXVLDQHKDDGB-LBPRGKRZSA-N 359.351 5.136 0 1 FKAF CCC[C@]1(c2ccccc2)CC(=O)[C@H]([C@@H](CC)c2ccccc2)C(=O)O1 18177639 NVJXNSJZXFPQQY-IEIRFRATSA-N 350.458 5.008 0 1 FKAF C[C@]12CCC(=O)C[C@H]1CC[C@@H]1C3=CC[C@H](c4ccc(=O)oc4)[C@@]3(C)CC[C@H]12 27633837 VKYZAIOQMTVXEU-KMPQGJEPSA-N 366.501 5.255 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 33902789 GJQWMFNAGHAFDW-DNHZKMRASA-N 370.621 7.207 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1)[C@H](SC1CCCCC1)n1ccnc1 45357233 AIFQXDRBVDUMGY-OALUTQOASA-N 364.942 5.879 0 1 FKAF O=C(O)/C=C/c1ccc(-c2ccc(O)c(C3C4CC5CC(C4)CC3C5)c2)cc1 45506104 UDPZTCPSUDYEHM-FPYGCLRLSA-N 374.480 5.697 0 1 FKAF Clc1cccc(CSCCNCc2c(Cl)cccc2Cl)c1 49808478 AXVXUUDNNXYFSB-UHFFFAOYSA-N 360.737 5.670 0 1 FKAF C[C@H]1[C@H](NCc2coc(-c3sccc3Cl)n2)C[C@@H]2C[C@H]1C2(C)C 72102102 JNZKAXJABZIRIE-NDPMZMCLSA-N 350.915 5.217 0 1 FKAF COc1ccccc1CCNc1cc(-c2ccc(C(C)(C)C)cc2)ncn1 82167819 OMAKPNLOLMVLFF-UHFFFAOYSA-N 361.489 5.104 0 1 FKAF O=c1cc(-c2ccccc2)oc(O)c1[C@H](CC1CC1)SC1CCCC1 100987790 QEXGTYFMYOSCBX-IBGZPJMESA-N 356.487 5.529 0 1 FKAF Clc1cccc(Cl)c1/C=C/c1n[nH]c2cc(-c3ccncc3)ccc12 167330048 WPNXXBKHAHMBEV-VOTSOKGWSA-N 366.251 6.102 0 1 FKAF CCNC(=O)Nc1ncc2cc(-c3cc(F)ccc3C)ccc2c1Cl 169699988 GDRJNULNOYCWCM-UHFFFAOYSA-N 357.816 5.144 0 1 FKAF COc1ccc(-c2cc(C)c(OC)c(C(=O)NC3CCCCCC3)c2)cc1 299855885 BVCVALLHOYGUPQ-UHFFFAOYSA-N 367.489 5.132 0 1 FKAF C[C@@H]1CC(=O)Nc2cccc(-c3cccc(OCc4ccccc4)c3)c2N1 584904928 XKIQUMIGIBMUJB-MRXNPFEDSA-N 358.441 5.075 0 1 FKAF in-vitro O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Cl)ccc1C3 586986729 SBMLRIOBMPPKCL-UHFFFAOYSA-N 369.807 5.376 0 1 FKAF O=C1c2ccccc2-c2cc(/C=C\C3CCCCC3)nc3ccc(O)c1c23 586992698 XZCGLNTXTNITLV-KHPPLWFESA-N 355.437 5.745 0 1 FKAF Cc1cnc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc2c1 587060733 SSXAPQOPBXVLQB-UHFFFAOYSA-N 370.843 5.802 0 1 FKAF Fc1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c(F)c1F 587077411 XCSFTRLBIJGDAP-UHFFFAOYSA-N 359.738 5.363 0 1 FKAF Fc1cc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2cc1Cl 587124276 KMYSBHCJQKSAJY-ZZXKWVIFSA-N 372.774 6.138 0 1 FKAF C[C@H](Oc1ccc(-c2ccccc2)cc1)c1cc2c3c(cccc3n1)CC2 587211980 NQDOJGRDFAUIQG-KRWDZBQOSA-N 351.449 6.140 0 1 FKAF O=C(c1cccc(C(F)(F)F)c1Cl)c1coc2ccc(Cl)cc12 587278199 IOGVAUKYTLRXKG-UHFFFAOYSA-N 359.130 5.989 0 1 FKAF CCO[C@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587365628 MXYCIADTCRXGDW-IBGZPJMESA-N 359.425 5.680 0 1 FKAF COc1cccc(-c2c(C)c([C@H]3CCOC3)nc3c2oc2ccccc23)c1 587367192 UNMFGLNNWKWGOG-INIZCTEOSA-N 359.425 5.469 0 1 FKAF CCCCCCc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587446398 WJPWIKCMSPHHTM-HYBUGGRVSA-N 364.485 5.481 0 1 FKAF Cc1cccc(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 587522826 HKASXSNMFCKDEX-VWLOTQADSA-N 368.476 6.247 0 1 FKAF Cc1cccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 587523399 IHSZSSHHAXDATN-RUZDIDTESA-N 368.476 6.247 0 1 FKAF CC1=C(C)C[C@](C)([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587601188 FRVRGJIPASTHGD-AJSBUHFISA-N 364.441 5.249 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(C)C)c(-c3ccccc3Br)c2c1 587638929 JXVWPBFVADCFIT-CQSZACIVSA-N 370.334 7.234 0 1 FKAF Cc1c(Br)cnc2[nH]c(/C=C\c3cccc4ccccc34)nc12 587969746 WAPDMYBGMALIEW-KTKRTIGZSA-N 364.246 5.352 0 1 FKAF O=C(CSCc1cccc(Br)c1)c1c[nH]c2ccccc12 653729613 VZOWDORFKLDRBD-UHFFFAOYSA-N 360.276 5.047 0 1 FKAF CC[C@H](Cc1ccccc1)[C@@]1(c2ccccc2)NCCc2cc(C)c(F)cc21 962148866 VLVSZPPSXIYCGQ-GJZUVCINSA-N 373.515 5.792 0 1 FKAF Cc1cccnc1[C@H]1CCC[C@]2(C1)NCCc1cc(-c3ccccc3)ccc12 962668699 QIAFXGFGHFRDQY-JYFHCDHNSA-N 368.524 5.756 0 1 FKAF COc1ccc([C@@]2(c3cccc(C)c3)NCCc3cccc(Cl)c32)cc1 963390637 LWLPETMQZIOWMT-QHCPKHFHSA-N 363.888 5.095 0 1 FKAF Oc1ccc(-c2c(-c3ccc4ccccc4c3)oc3cc(O)ccc23)c(O)c1 1772620752 XXXMSIDHDOUVEC-UHFFFAOYSA-N 368.388 6.037 0 1 FKAF c1ccc(Cn2cc(CN3c4ccccc4Sc4ccccc43)nn2)cc1 1857615761 SYWSSBZQHHVDDE-UHFFFAOYSA-N 370.481 5.129 0 1 FKAF C[C@@H]1C[C@H](C(=O)Nc2nc3cc(Cl)cc(Cl)c3s2)CC(C)(C)C1 1857773157 XLIYZAZOULZHQP-ZJUUUORDSA-N 371.333 6.004 0 1 FKAF Clc1cnccc1COc1ccc2[nH]c(=NC3CCCCC3)sc2c1 2382240230 XRXJSWIYYPKVBL-UHFFFAOYSA-N 373.909 5.090 0 1 FKAF O=C(O)c1ccccc1OCCCCCC1c2ccccc2-c2ccccc21 13741282 KGXOMBOCCZSUGN-UHFFFAOYSA-N 372.464 6.137 0 1 FKAF COC(=O)[C@@H](CCC=C(C)C)CCC[C@@H](CCCc1ccoc1)C(=O)O 15194364 LKVBHTFLLORZRI-MOPGFXCFSA-N 364.482 5.009 0 1 FKAF biogenic N=C(Nc1ccccc1CCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 26482402 STQXWDBOYPUUFM-UHFFFAOYSA-N 373.544 5.377 0 1 FKAF CCCCC(=O)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 40976275 PWOKLGVLHXQYNY-UHFFFAOYSA-N 373.663 6.535 0 1 FKAF C[C@@]12C=C(/C=C/C=C\c3ccco3)[C@@](C)(C1)[C@H](/C=C/c1ccco1)CC2=O 73002114 UQMOFGNDJAVHLT-AFROQOKKSA-N 360.453 6.087 0 1 FKAF O=c1oc(-c2ccccc2)c(-c2ccccc2)c2sc3c(c12)CCCCC3 84653153 FCWOFJVKFYKNKD-UHFFFAOYSA-N 372.489 6.457 0 1 FKAF Cc1ccc2[nH]c(C(=O)OC(C)C)c(Sc3ccc(Cl)cc3)c2c1 95583040 VCJCQQWMQGRZRD-UHFFFAOYSA-N 359.878 5.846 0 1 FKAF Cc1nc(N[C@@H]2CCOc3ccccc32)cc(-c2ccc3sccc3c2)n1 142115051 ARPKJXFRBCPYFK-GOSISDBHSA-N 373.481 5.602 0 1 FKAF C[C@H]1CCCN1[C@@H]1CC[C@H](c2ccc(NC(=O)c3cccs3)cc2)C1 147691650 KYZPYMRHXJBPAD-VDZJLULYSA-N 354.519 5.121 0 1 FKAF O=C(O)c1cccc(Cn2ccc3ccc(-c4ccc5cc[nH]c5c4)cc32)c1 169348537 RKYYOTODMKTMHY-UHFFFAOYSA-N 366.420 5.536 0 1 FKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(O)c(Cl)c2)C1 299828448 JKDMJTJJMOVVOW-INIZCTEOSA-N 363.288 6.053 0 1 FKAF CCCCC1CCC(c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 586893858 YZOKADXFPYATDW-UHFFFAOYSA-N 369.734 6.443 0 1 FKAF CCCCC(CCCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586993273 XELWDHVFYDYBKH-UHFFFAOYSA-N 373.496 6.616 0 1 FKAF CCc1ccc(-c2nc(-c3nc4ccc(Cl)c(C)c4[nH]3)cs2)cc1 587015345 MVLDOEIDQGUCST-UHFFFAOYSA-N 353.878 5.878 0 1 FKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(Br)c(C)cc3[nH]2)n1 587078976 DYQOIEMQHAIIPL-SECBINFHSA-N 367.678 5.122 0 1 FKAF FC(F)(F)Oc1cccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 587079777 GWCANLCDDQAUJP-UHFFFAOYSA-N 365.742 5.118 0 1 FKAF Fc1cc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2cc1Cl 587111274 CFFIOPCFYLKDLU-UHFFFAOYSA-N 365.717 5.589 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(SC(F)(F)F)c1)O2 587381933 ISQAFKMOBQPLSG-QGZVFWFLSA-N 367.392 5.070 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c(Cl)cccc31)CC2=O 587458629 BCTGXIWWOFOFAV-OAQYLSRUSA-N 356.849 5.195 0 1 FKAF CCCC[C@]1(c2ccc(O)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587479755 IYDNINMNNZACFL-JOCHJYFZSA-N 354.446 5.101 0 1 FKAF O=C1C[C@@H](c2cccn2Cc2ccccc2)Oc2c1ccc1c2CCCC1 587512944 QCHPTRBVVQHXOX-QHCPKHFHSA-N 357.453 5.122 0 1 FKAF Cc1sc(N)c([C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587533264 VNRGKQZTPCNVSN-QFIPXVFZSA-N 367.514 5.097 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc2ccccc12 587616361 CDAJRYHFWRJRHK-UGKGYDQZSA-N 374.417 5.310 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1[C@@](O)(c1ccccc1)C(F)(F)F 587629743 FYFHESDOWANEKN-INIZCTEOSA-N 357.734 5.067 0 1 FKAF CCCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 587630198 VJOIDGHFOOBRBW-UHFFFAOYSA-N 371.761 6.479 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(C3CC3)c2c1 587638260 DRNUIGVMIXMODL-ZDUSSCGKSA-N 368.318 6.988 0 1 FKAF COC[C@@H](C)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587922981 KZEDUZPHUHTTKV-CYBMUJFWSA-N 366.461 5.847 0 1 FKAF COc1ccc(Br)c(-c2nc(-c3ccc(F)cc3)cs2)c1 587923097 OHJLLZXYVRRFFA-UHFFFAOYSA-N 364.239 5.387 0 1 FKAF COc1ccc(-c2cc(C(=O)Nc3ccc4ccccc4c3)co2)cc1OC 621429903 GHSPUTQHZXAGNT-UHFFFAOYSA-N 373.408 5.369 0 1 FKAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4nccc5ccccc45)cc32)[nH]1 653758348 VJOLFCSPWACQAB-MOSHPQCFSA-N 365.436 5.339 0 1 FKAF Cc1ccc(C[C@]2(C(F)(F)F)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963102977 TYUARDWNKRVSBI-FXAWDEMLSA-N 363.398 5.155 0 1 FKAF CC[C@H]1C=C2CC[C@@]34C[C@]35CC[C@H](NC)C(C)(C)[C@@H]5C=C[C@H]4[C@]2(C)C[C@@H]1O 1857545177 NLPOQHSJIOENRC-GZBVTHDWSA-N 369.593 5.090 0 1 FKAF O=C(CCC1CCCCC1)Nc1ncc(Cc2cccc3c2CCC3)s1 1857642430 XNRYWMUDNUDMSN-UHFFFAOYSA-N 368.546 5.522 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)CC(c2cccnc2)=NO1 13682720 ZEPLKWCPXKSSGO-LJQANCHMSA-N 369.877 5.207 0 3 FKAF CCCC1CCC2(CC1)CC[C@@H]2OC(=S)Nc1ccccc1Cl 205704688 QGNYHJYTMHHPTN-KGYZHSKHSA-N 351.943 6.193 0 3 FKAF C=C1c2nc3ccccc3n2C=C(c2ccc(OC)cc2)N1c1ccccc1 13218786 QBGDOVQSQFVTAC-UHFFFAOYSA-N 365.436 5.491 0 1 FKAF COc1ccc([C@@H](Cc2ccncn2)c2ccccc2)cc1OC1CCCC1 13441954 HRRDVCOMBKOBDB-QFIPXVFZSA-N 374.484 5.181 0 1 FKAF S=C1Nc2ccc(-c3cccc(-c4ccccc4)c3)cc2C12CCCCC2 13488900 ABSLJVCXKDUKLK-UHFFFAOYSA-N 369.533 6.975 0 1 FKAF CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)c(F)c3)ccc21 13649044 TUTOEKVFOVDKCV-UHFFFAOYSA-N 369.436 5.125 0 1 FKAF C[C@]12CC[C@H](S)C[C@H]1CC[C@@H]1C3=CC[C@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@H]12 27524142 AKVQZCLFNIRFEL-WNWBQRPISA-N 372.574 5.347 0 1 FKAF CCn1nc(C)c(CCCCCCOc2ccc(OC)cc2Cl)c1C 27849048 WBDXLKGXXQFLLC-UHFFFAOYSA-N 364.917 5.364 0 1 FKAF C[C@]12CC[C@@H]3[C@@H](CCC4=C(SCCl)C(=O)CC[C@@]43C)[C@@H]1CCC2=O 29343074 KEVDHIRSYSCSSY-NTLNUMAZSA-N 366.954 5.345 0 1 FKAF CCCN(CCC)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 29486283 LBQHPPISBXXENG-RXVVDRJESA-N 362.344 6.692 0 1 FKAF C[C@]12CCC=C[C@@H]1[C@H](c1ccc3ccccc3c1)N(Cc1ccccc1)C2=O 36388223 DLLSCTDMHJGMPP-USZFVNFHSA-N 367.492 5.896 0 1 FKAF COc1cccc(Oc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 72179380 MVKHKLJTVIGVFR-UHFFFAOYSA-N 369.635 5.257 0 1 FKAF CN1CC(OCc2ccc(Cl)cc2)(c2ccc(Cl)c(Cl)c2)C1 96924134 HZCGQGTVQUTLJQ-UHFFFAOYSA-N 356.680 5.004 0 1 FKAF CC(C)[C@@H]1C[C@@H]2[C@@](C)(NC(=O)NCCc3ccccc3)[C@H]3C[C@@H]1C[C@]2(C)C3 101579207 SXRJJDBOHDXGCU-LGJDVCLJSA-N 368.565 5.015 0 1 FKAF Clc1ccc(N2CCCN(CCCc3cc4ccccc4o3)CC2)cc1 169350287 MKNOKGDTUIIQRL-UHFFFAOYSA-N 368.908 5.231 0 1 FKAF Cc1cc2[nH]c(C(=O)CC3CCCC3)c(-c3ccccc3)c2cc1C(=O)O 221356925 PLEFGUPRVWATOH-UHFFFAOYSA-N 361.441 5.605 0 1 FKAF CC(=O)OC/C=C(\C)CC[C@@]1(C)C2=CCC[C@](C)(C(=O)O)[C@@H]2CC[C@@H]1C 238742352 MHVXKXKLJNXBPK-OLWKPSFZSA-N 362.510 5.140 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H]3C1CCCC1 586989775 FAAJNTZCOLMLEL-AWEZNQCLSA-N 355.437 5.372 0 1 FKAF Cc1c(Br)cc2nc(-c3coc4cc(F)ccc34)[nH]c2c1C 587175058 PBDXXJJYJNTXDW-UHFFFAOYSA-N 359.198 5.495 0 1 FKAF FC(F)(F)c1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587231972 JMPGQIZRARCNEX-UHFFFAOYSA-N 371.362 5.132 0 1 FKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(F)cc(F)c2[nH]1 587246557 CCQDONRKCLKKIF-UHFFFAOYSA-N 365.383 5.256 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3Cl)s1)O2 587411800 VVAJAKFARNPJPO-QGZVFWFLSA-N 369.873 5.666 0 1 FKAF COc1cc2c3c(c1)O[C@@](c1ccc(C(C)(C)C)cc1)(C(C)C)[C@@H](C2)C3=O 587444911 XBRCJQFGNZMTRG-YADARESESA-N 364.485 5.292 0 1 FKAF O=C1C[C@](c2ccccc2)(c2cccs2)Oc2c1ccc1c2CCCC1 587532008 OETJGEHWUXYFQJ-QHCPKHFHSA-N 360.478 5.536 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccccc3)[C@H]2C)N1 587818209 CRJWQJRLEGAJJE-HYIGOFEPSA-N 374.297 5.141 0 1 FKAF CCc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587848615 OQXMFZWFGYOQJM-BTDLBPIBSA-N 368.315 5.010 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCC(C)C 587858873 OJFWEZDIUHUNHJ-UHFFFAOYSA-N 355.265 5.332 0 1 FKAF CC[C@H](C)c1ccccc1OCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873923 PQLPHLDRNOCRMT-ZDUSSCGKSA-N 366.392 5.028 0 1 FKAF CC/C(=C/c1nc2c(C)c(Br)cnc2[nH]1)c1ccc(C)cc1 587968469 TWHHROSFUJVQPQ-LCYFTJDESA-N 356.267 5.288 0 1 FKAF CCn1cc([C@@]2(C)NCCc3cccc(-c4ccccc4)c32)c2ccccc21 962667788 MXJIYNIPSAJEIW-AREMUKBSSA-N 366.508 5.737 0 1 FKAF Cc1c(F)cc(Cl)c([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1F 963103843 OFIAALZKYTXNGO-ORAYPTAESA-N 351.799 5.176 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(-c2ccccc2OC)cc1 963240564 KOXYHEKUOUTAGN-SIBVEZHUSA-N 371.524 6.108 0 1 FKAF CC(C)c1ccccc1NC(=O)Nc1nc([C@H](N)C2CCCCC2)cs1 1857576503 OQGUWJNGPYRHHL-GOSISDBHSA-N 372.538 5.491 0 1 FKAF CCCCCCSc1ccc(C(=O)CC[N@@]2C[C@H]2C)c(Cl)c1Cl 1857607040 APGLOJXHKLCBCF-ASSNKEHSSA-N 374.377 5.943 0 1 FKAF CCO[P@@](=O)(CC)c1ccc2nc(-c3ccc4ccccc4c3)oc2c1 1911570576 NMMMEXDIWFMKQS-SANMLTNESA-N 365.369 5.608 0 1 FKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 2356675272 OBWGUKUMNJWSCT-NXVOHPIDSA-N 366.589 7.103 0 1 FKAF CCC1=C[C@H](C)[C@@H]2C(C)=C[C@](C=Cc3ccccc3)(CC)[C@](C)(C(=O)O)[C@H]12 2356778771 DGVIYEMUVWSVTP-LOPJVJKJSA-N 364.529 6.366 0 1 FKAF O=C(O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1c(F)cccc1Cl)N2 4811089 RQAYLZVUULMIHY-LVRSREAOSA-N 371.839 5.474 0 1 FKAF COc1ccc(-c2nc(-c3ccccc3)oc2Nc2ccccc2C)cc1 8690120 VNYSPSVUKCPBRB-UHFFFAOYSA-N 356.425 6.069 0 1 FKAF CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(Cl)cc3Cl)ccnc21 13479585 CQKJDRAMFGINOY-GFCCVEGCSA-N 362.304 6.329 0 1 FKAF CCc1ccc(C2=NN(C(=O)c3ccc(Cl)c(Cl)c3)CCC2)cc1 13744724 WVCRJJQIOABWDK-UHFFFAOYSA-N 361.272 5.196 0 1 FKAF CC(C)c1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc(C(C)C)c1O 13780155 OHYZPHUXMLDXTQ-NVMNQCDNSA-N 355.865 5.785 0 1 FKAF CC(C)(C)c1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 13808853 MSXAXOGMQYORSO-UHFFFAOYSA-N 368.484 5.657 0 1 FKAF CCCO[C@@H]1Oc2ccc(Cl)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 27075526 UDYVQHLPMVKSOP-OAQYLSRUSA-N 369.892 6.432 0 1 FKAF O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1cccc(C(F)(F)F)c1 27435569 VAFIUNNEDCNHDT-GOSISDBHSA-N 363.766 5.038 0 1 FKAF CCCCSC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@H]34)[C@@]2(C)CCC1=O 27651058 JWJVSQSPSJHDRJ-MDGUNMAHSA-N 374.590 5.948 0 1 FKAF CCCCCc1c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c1C(=O)O 35465960 NWABSQLHKJWTBK-UHFFFAOYSA-N 360.494 5.546 0 1 FKAF biogenic CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccncc2)cc1 84708295 SJMXTLCSHCXWMT-IBGZPJMESA-N 369.512 5.830 0 1 FKAF CC(=O)OC1=C(c2cccc3ccccc23)Oc2ccccc2[N+]2=C1CC=C2 101025341 FAPSIUKSTMWDJJ-UHFFFAOYSA-N 368.412 5.167 0 1 FKAF Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CC[C@@H](c1ccccc1)C2 103288192 LHRFEXUPWXOOKM-OAHLLOKOSA-N 367.901 5.487 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccncc3)CCC[C@@]21C 169343666 LLYQIQORGKNUDL-VILWBRSESA-N 371.565 6.286 0 1 FKAF c1ccc(Sc2ccc3nc([C@@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586892686 VOGRINJVFJSZJW-NBZRVGKJSA-N 360.526 6.182 0 1 FKAF CC(C)c1cc(-c2nc3ccc(Br)nc3[nH]2)c(O)c(C(C)C)c1 586897014 VELFROYWDAMRTI-UHFFFAOYSA-N 374.282 5.340 0 1 FKAF FC(F)(F)c1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Cl 587017250 UHKXGPKSQOHVJA-LBPRGKRZSA-N 373.787 5.210 0 1 FKAF COc1cccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc12 587030517 GFCSJOZVDKIDPR-CYBMUJFWSA-N 363.486 5.531 0 1 FKAF Cc1c(Br)ccc2nc(-c3csc4ccc(O)cc34)[nH]c12 587032389 JEMHGHWYLPSGCB-UHFFFAOYSA-N 359.248 5.221 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(Cl)c(Cl)nc2[nH]1 587061187 CBIZWFXQZYVDAJ-NSHDSACASA-N 356.640 5.448 0 1 FKAF Cc1ccc(C(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587107394 SCNGRFNMGLHIJY-UHFFFAOYSA-N 363.416 5.180 0 1 FKAF Fc1cc(Br)ccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587142697 LGBXKZJVTBEACW-UHFFFAOYSA-N 360.013 5.438 0 1 FKAF COc1cc(OC)c2nc(-c3sccc3-c3ccc(F)cc3)[nH]c2c1 587165275 OGOFXNNIVULYSB-UHFFFAOYSA-N 354.406 5.115 0 1 FKAF Cc1cc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2cc1C 587197816 PHCIXOHBNGRKLU-FQEVSTJZSA-N 365.477 5.145 0 1 FKAF Cc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357468 ULSCEVBEPLMLHO-GGAORHGYSA-N 362.400 5.114 0 1 FKAF Cc1cc(C)cc(-c2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)c1 587411512 CTDUTPFPWZZPHY-IBGZPJMESA-N 364.470 5.024 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(Cl)cc1Cl)CC2=O 587465594 IYANCRNNBGOTOP-KRWDZBQOSA-N 369.219 5.497 0 1 FKAF Cc1nc2ccccc2c(Cl)c1Cc1c(C)[nH]c2c(C)cc(Cl)cc12 587623876 AZEXLKQXSZCDJZ-UHFFFAOYSA-N 369.295 6.539 0 1 FKAF Cc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3c(C)cc(Cl)cc23)cc1 587624217 GGAMQPMAFHHNKD-UHFFFAOYSA-N 366.291 7.426 0 1 FKAF CNc1c(-c2ccc(O)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626581 UPWOXTUYXXVNLH-UHFFFAOYSA-N 374.284 5.620 0 1 FKAF Fc1ccc2[nH]c(-c3ccc(Cl)cc3)c(-c3ccccn3)c2c1Cl 587627717 ABMCSQPEGTYYEV-UHFFFAOYSA-N 357.215 6.343 0 1 FKAF CC1=CC[C@H]([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587814945 JHLAHJUKMWCZPW-XAYKYTGQSA-N 352.291 5.084 0 1 FKAF Cc1ccc2oc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587831866 IUUUDOBWLUYNBI-NSPYISDASA-N 374.253 5.266 0 1 FKAF CCCCCC(=O)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587864779 PJCZXRCIMGBPJJ-UHFFFAOYSA-N 354.372 5.188 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4cc5ccccc5cc4[nH]3)c2)c1 587932573 GMRIZASKIAKLPD-UHFFFAOYSA-N 366.420 5.764 0 1 FKAF Cc1ccc([C@@]2(C(F)(F)F)NCCc3cccc(-c4ccccc4)c32)cn1 962662724 CHQWZGOISYVJEW-OAQYLSRUSA-N 368.402 5.009 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)nc3c2Cc2cccc(O)c2-3)cc1 1857539009 PCFMDYHQRWCNAQ-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(F)cc3)nc3c2Cc2cc(O)ccc2-3)c1 1857568870 VQWRXZZHPBDFKG-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CC(C)=CCCC(C)=CCC[C@]1(C)C=Cc2c(O)cc3c(c2O1)CNC3=O 2356366076 ZBRAKDJZVQZCLV-HSZRJFAPSA-N 367.489 5.273 0 1 FKAF Cc1nc2ccc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc2o1 2382233903 PYNBBVBQRJHREH-UHFFFAOYSA-N 367.449 5.019 0 1 FKAF Cc1c(O)c(=S)ccn1Cc1ccc(-c2ccc3ccccc3c2)cc1 2382237446 SGRPTHCRZOXCCT-UHFFFAOYSA-N 357.478 6.100 0 1 FKAF Fc1cc(F)cc(NCc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 2382249567 RMCCHANPQRKRIO-FNORWQNLSA-N 362.383 5.019 0 1 FKAF Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)[nH]c3ccccc23)cc1 13477356 SVICXEVBBOHCKV-UHFFFAOYSA-N 361.466 5.214 0 1 FKAF CC/C(=C(/Cc1ccc(OCN(C)C)cc1)c1ccccc1)c1ccccc1 26019055 IKVHBPAGSOYMMN-OCEACIFDSA-N 371.524 6.148 0 1 FKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNCCC[C@@H](C)N 26175100 ZBINKVYSDZCYDZ-LJYZBVLISA-N 370.625 5.537 0 1 FKAF O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1Oc1ccccc1 28330804 MWLMBGNZYRZGQR-PPAVZTEXSA-N 356.421 5.833 0 1 FKAF Cc1c(OCCCCOc2ccccc2F)ccc(C(=O)CC(C)C)c1O 28361736 HTQHNFJCGRDIKX-UHFFFAOYSA-N 374.452 5.307 0 1 FKAF Cc1cc(-c2ccccc2O)cn2c(CSCCc3ccccc3)cnc12 28877372 ZGAWMPOGMRAULT-UHFFFAOYSA-N 374.509 5.491 0 1 FKAF CC[C@@H](C)Nc1nc2ccc(-c3[nH]cnc3-c3ccccc3F)cc2s1 29041803 OJQSRRCUFRRNTP-GFCCVEGCSA-N 366.465 5.703 0 1 FKAF Cc1cccc(C[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c1 39233844 AOAIGKHFHYWSMX-VWLOTQADSA-N 362.561 5.229 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cnc(C)c1C 45366465 AWDICAUUCMTSSA-ROUUACIJSA-N 366.958 5.961 0 1 FKAF Fc1cccc(-c2nccc3[nH]nc(-c4cccc(OC(F)(F)F)c4)c23)c1 82083426 HAONRJGOFBJJMH-UHFFFAOYSA-N 373.309 5.330 0 1 FKAF CCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccco2)n1 82165223 SFUSEGZABKQQDK-UHFFFAOYSA-N 374.444 5.579 0 1 FKAF Cc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccco2)sc1C 82165426 OLZOHUYTDXEKFS-LRDDRELGSA-N 368.506 5.468 0 1 FKAF CCCCCn1c2ccccc2c2cc(C(=S)N3CCCCC3)ccc21 96938356 XUWAFIRGUZGIAA-UHFFFAOYSA-N 364.558 6.146 0 1 FKAF CCCC[C@]1(c2ccccc2)CC(O)=C(SCc2ccccc2)C(=O)O1 100363889 XBBGCOGMPITCSJ-JOCHJYFZSA-N 368.498 5.722 0 1 FKAF O=C(Oc1ccccc1)Oc1ccc(CNCc2ccc(Cl)cc2)cc1 220494207 UXMORVVPNBACDZ-UHFFFAOYSA-N 367.832 5.208 0 1 FKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(C)c(F)ccc3[nH]2)cc1 586880318 XKFVWYIJJICWRD-UHFFFAOYSA-N 360.388 5.351 0 1 FKAF 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O=C1C[C@@H](c2cccn2-c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587506403 RWUYOHYHMUNUAZ-QFIPXVFZSA-N 361.416 5.202 0 1 FKAF COc1ccccc1C[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587527254 VTVMJCAPCWMPFN-XMMPIXPASA-N 364.485 5.177 0 1 FKAF Cc1[nH]c2cccc(F)c2c1C(=O)Oc1c(Cl)cc(Cl)cc1Cl 587633283 XUDOXVHVUGHOJT-UHFFFAOYSA-N 372.610 5.795 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccccc2Cl)N1 587692581 BIQUFESAVXFJJJ-QGHHPUGFSA-N 368.677 5.060 0 1 FKAF CC(C)=CC[C@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587815755 PUDZARLNERBEMR-BFUOFWGJSA-N 366.318 5.474 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@@]2(C)C3(C)C)N1 587817025 HHUDOZMGSPWPSJ-LYXXURBMSA-N 366.318 5.164 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C2CC2)N1 587817251 AUHISZTXKLVBHC-WLRWDXFRSA-N 360.270 5.089 0 1 FKAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(Br)c(C)c2[nH]1 587931691 SJKMUAJVFBGYOC-ORAYPTAESA-N 371.278 5.088 0 1 FKAF Cc1ccc2c(ccc3nc([C@@H](Cc4ccccc4)c4ccccc4)[nH]c32)n1 587954952 FSOORZDLONUQJT-NRFANRHFSA-N 363.464 5.794 0 1 FKAF CC(C)(CCCOc1ccc(/C=C/c2ccc3ccccc3c2)cc1)C(=O)O 653776590 YWNGEBCHVKXEPQ-CMDGGOBGSA-N 374.480 6.280 0 1 FKAF CC(C)c1cc([C@@]2(C(C)C)c3c(F)cccc3C[C@H]3CCCN32)ccc1O 963108480 PFHHNSZIACTGEF-DVECYGJZSA-N 367.508 5.575 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(-c2ccccc2OC)cc1 963240561 KOXYHEKUOUTAGN-AFMDSPMNSA-N 371.524 6.108 0 1 FKAF CC(C)(C)c1ccc(Oc2ccccc2[C@H]2NCCc3ccc(O)cc32)cc1 963350261 AOIWKLCTQRBKEN-XMMPIXPASA-N 373.496 5.717 0 1 FKAF O=C(Nc1cc2cccccc-2n1)/C(=C/c1ccccc1)c1ccccc1 1857553576 PMAUMCDFZJBDIE-LTGZKZEYSA-N 350.421 5.366 0 1 FKAF CC(C)[C@@H]1N=C(c2ccccc2)c2cc(C(F)(F)F)ccc2NC1=S 1857753868 UXCGQYRRXWYYRY-INIZCTEOSA-N 362.420 5.320 0 1 FKAF C[C@@H]1c2nc(-c3ccsc3)sc2C[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 2356519736 OEDBQTSAAZMVMA-FHLRMZIXSA-N 373.543 5.125 0 1 FKAF CC1=CCC[C@]2(C)CC[C@H](C(C)C)[C@H](OC(=O)C=Cc3ccc(O)cc3)[C@@H]12 2356535834 KKYIBEYOWUAQME-CAUSLRQDSA-N 368.517 5.746 0 1 FKAF Clc1cccc2c1OC[C@H]1C(c3ccccc3)=NN(c3ccccc3)[C@H]21 5823915 IVBZICOWGJXCMT-GHTZIAJQSA-N 360.844 5.314 0 1 FKAF CC[C@@H](Cc1ccccc1)c1cc(O)c([C@@H](CC)c2ccccc2)c(=O)o1 6411991 HALPINAQGOXQAN-ICSRJNTNSA-N 362.469 5.624 0 1 FKAF CCC[C@@H](C)n1c(CC)nc2c(-c3cc(F)c(F)cc3Cl)ccnc21 13479614 PMPFVTNNBPTEQF-LLVKDONJSA-N 363.839 5.953 0 1 FKAF FC(F)(F)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 13761873 JINJJDHGBJMQJW-UHFFFAOYSA-N 357.162 5.865 0 1 FKAF CC(C)CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26388108 UIRGBYWISWGYEM-FXUBCLTQSA-N 373.581 5.081 0 1 FKAF CCCCCCc1ccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)cc1 40401669 BIALUGHALLOUJO-HXUWFJFHSA-N 360.881 5.538 0 1 FKAF COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)c2ccccc2)c(OC)c1 71335393 LHSBSVROMKIZDW-DEOSSOPVSA-N 372.468 5.411 0 1 FKAF Cc1cnn([C@@H](c2ccc(OCc3ccccc3Cl)cc2)C2CC2)c1 96938130 KPBMJJWHMKQMEV-OAQYLSRUSA-N 352.865 5.423 0 1 FKAF Cc1ccc2c([C@H](Nc3cccnc3)c3ccccc3Cl)c(C)[nH]c2c1 103244936 FPDIMVPBSSBDFS-JOCHJYFZSA-N 361.876 6.035 0 1 FKAF OCc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1 147822588 WDQIABDPPBTPTL-UHFFFAOYSA-N 369.424 5.172 0 1 FKAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(-c4ccccc4O)cc3)cc12 205302951 QZIZUCHLAKADOE-UHFFFAOYSA-N 363.800 5.559 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](c1ccccc1)C3 586989783 FBIHIBXEEIMKLJ-OAHLLOKOSA-N 363.416 5.034 0 1 FKAF N[C@H](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccccc1Cl 587056789 LIRNWSAVQSUJNM-GFCCVEGCSA-N 371.815 5.071 0 1 FKAF CC(=O)c1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587063713 ZLINLWGKOCRCHB-UHFFFAOYSA-N 360.844 5.677 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(Cl)cnc1CC3 587103097 BKMOHTCNPKMDIQ-UHFFFAOYSA-N 368.823 5.260 0 1 FKAF Nc1ccnc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c12 587113123 RWQNHMATXIWGTQ-UHFFFAOYSA-N 370.334 5.018 0 1 FKAF CCOc1cc(/C=C\c2nc3cc(C)cc(C)c3[nH]2)ccc1OC(F)F 587129772 GEEAGNWFDZSSBU-VURMDHGXSA-N 358.388 5.350 0 1 FKAF Cc1c(CCc2ccc(Br)cc2)nc2cccc3c2c1CC3 587207171 CGAWISVTMKGNDK-UHFFFAOYSA-N 352.275 5.190 0 1 FKAF CSc1nc(Cl)c(C(=O)c2coc3ccc(Cl)cc23)c(Cl)n1 587277886 AHIGXRKNWROZTA-UHFFFAOYSA-N 373.648 5.136 0 1 FKAF C[C@@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358380 XQOMPRYOBMIAHO-UNMCSNQZSA-N 354.421 5.229 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1F)([C@H]1C[C@H]3CC[C@H]1C3)O2 587385447 OBZMHXMJJDFKPU-HROWZVSTSA-N 365.448 5.013 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C)Sc2sccc21 587497502 WTDGBUDUKDDWLZ-JEOXALJRSA-N 360.500 5.151 0 1 FKAF O=C1C[C@@](c2ccccn2)(C2CCCCC2)Oc2c1ccc1c2CCCC1 587516584 YJKBHNGUUWOIGU-DEOSSOPVSA-N 361.485 5.401 0 1 FKAF Cc1noc(-c2ccccc2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521056 ABRCBEYCPAUURJ-FQEVSTJZSA-N 359.425 5.235 0 1 FKAF Cc1cc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C=O 587523296 KXRHKYWWLPOXHJ-DEOSSOPVSA-N 362.469 5.184 0 1 FKAF Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl 587540590 BBNXDUFZLIIREZ-UTKZUKDTSA-N 366.800 5.057 0 1 FKAF CC(C)(C)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587600382 BGDQIYKRIYZKBK-REWPJTCUSA-N 374.436 5.393 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3c(C)cnc(Cl)c3[nH]2)c1 587780629 WMIYXHIRQOXHAF-UHFFFAOYSA-N 363.848 5.652 0 1 FKAF CC(C)CC[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813660 DLEFBGZJIJEOOK-SGTLLEGYSA-N 354.307 5.164 0 1 FKAF CC(C)=CC[C@@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815756 PUDZARLNERBEMR-DJJJIMSYSA-N 366.318 5.474 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(C)C3(C)C)N1 587817023 HHUDOZMGSPWPSJ-DRJHQHNCSA-N 366.318 5.164 0 1 FKAF CCCCC/C=C/C=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587817454 CDFWRHRRMCJDLJ-UQVVBXFESA-N 366.318 5.856 0 1 FKAF COc1ccc(C[C@@H](C)c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1OC 587925251 DFKBKFUKSCLEFW-CQSZACIVSA-N 352.478 5.224 0 1 FKAF COc1ccc2c(c1)C[C@H](c1nc3ccc(Oc4ccccc4)cc3[nH]1)CC2 587945665 HIOMCRIQKHDBSI-QGZVFWFLSA-N 370.452 5.636 0 1 FKAF CCOc1cccc2ccc([C@H]3N[C@H](CC)Cc4c3[nH]c3ccccc43)nc12 962953246 QMNFTYCOVAIRLQ-VOIUYBSRSA-N 371.484 5.129 0 1 FKAF COc1ccc(/C=C/c2ccc3c(c2OC)C=CC(C)(C)O3)cc1OC 1857549164 FOIQXXQLOHHWQD-SOFGYWHQSA-N 352.430 5.067 0 1 FKAF COC(=O)C(C)(C)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]32)C1 2356312408 XZYHUDBBIOJHPZ-KQTHGUNBSA-N 374.565 5.126 0 1 FKAF CC(C)=CCCC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O 2356568207 HOBZNMDEKROCHT-UHFFFAOYSA-N 366.501 5.824 0 1 FKAF CC(=O)O[C@H]1CCC(C)=CC=C(C(C)C)CCC2=CCC[C@@]1(C)OC2=O 2356637333 PSJHYYPVPGHZAJ-RBBKRZOGSA-N 360.494 5.043 0 1 FKAF Clc1ccccc1-c1nnc2c(-c3ccccc3)nc3ccccc3n12 1658172 HLPSPPPEQFZLSA-UHFFFAOYSA-N 356.816 5.265 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@]12C 3978685 KGXLWYQCBAUILI-WAJDHTJXSA-N 372.549 5.491 0 1 FKAF COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(O)cc1 6257772 PHKFTVVFCJTISE-PKTZIBPZSA-N 360.453 5.488 0 1 FKAF CC[C@@H](c1cc(=O)[nH]c(SC2CCCCC2)n1)c1c(F)cccc1F 13474586 BDWDLPAPUOEPNI-ZDUSSCGKSA-N 364.461 5.015 0 1 FKAF Cc1ccc(C(C)C)c(Sc2c(O)cc(-c3ccccc3)oc2=O)c1 27209825 CRSGKCGCLQCBQC-UHFFFAOYSA-N 352.455 5.595 0 1 FKAF CC(=O)Oc1ccc(C(=Cc2ccccc2)c2ccc(OC(C)=O)cc2)cc1 29318370 VLOJHLLHSCPEBI-UHFFFAOYSA-N 372.420 5.126 0 1 FKAF O[C@H](c1ccc(OCc2ccc(OCc3ccccc3)cc2)cc1)C1CC1 66251400 JYGMIDFZSVLHAQ-DEOSSOPVSA-N 360.453 5.288 0 1 FKAF Cc1cc2cn(C)nc2cc1-c1ccc(C(=O)Nc2ccccc2F)s1 142580288 WLQSDYBZGDXMQL-UHFFFAOYSA-N 365.433 5.002 0 1 FKAF NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 149618885 BINXOHRETRQOCW-VFUGHAIPSA-N 374.450 5.088 0 1 FKAF Clc1ccc2c([C@@H](NCC3CC3)c3cccc4ccccc34)c[nH]c2c1 149925664 BNFPNYAGULOZSX-QHCPKHFHSA-N 360.888 6.064 0 1 FKAF Cc1oc2c(c1-c1nc3ccc(Sc4ccccc4)cc3[nH]1)C(=O)CCC2 586903067 FKAXFRCQORFCRX-UHFFFAOYSA-N 374.465 5.802 0 1 FKAF C[C@H]1CCc2sc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)cc2C1 587033712 KZSCRRMOQVIVFP-AWEZNQCLSA-N 360.482 6.209 0 1 FKAF Cc1cccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587069718 GRIQYPOIGUNYIU-JLHYYAGUSA-N 374.871 6.274 0 1 FKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(OC)c1 587106580 JSYRJWDXYUTQRI-UHFFFAOYSA-N 367.404 5.130 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C=C(c1cccnc1)CC3 587106962 PLORIXIQVPFWAQ-UHFFFAOYSA-N 360.416 5.328 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587114346 SJMNHCVYMIIWAZ-GFCCVEGCSA-N 361.411 5.620 0 1 FKAF Cc1cc(F)c2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 587152169 XBGUHSSHHLKOSI-FQEVSTJZSA-N 368.358 5.457 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587170187 LNZVTEXFVFNRGF-QMMMGPOBSA-N 356.800 5.529 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2CCCF)[C@@H]1c1ccc(F)cc1 587328284 BMXQEJZYHKOFCI-QPJICYPMSA-N 372.411 5.179 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(F)c4)s1)[C@@H](C2)C3=O 587426267 BVQWOZIRTAZFPG-YCRPNKLZSA-N 366.413 5.052 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1cc(C)sc1C)(C(C)C)CC2=O 587493168 RAIXFIRSGZTHDV-NRFANRHFSA-N 358.503 5.540 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(C(C)(C)C)nc1C)CC2=O 587494161 JSELIDSSVGWSGB-OAQYLSRUSA-N 373.518 5.288 0 1 FKAF CC(C)CCOc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523733 PCRRPBMSHBYZMI-QHCPKHFHSA-N 364.485 5.697 0 1 FKAF COc1ccc(C)c2c1CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587527672 XTWUPSZMOYNUAM-DEOSSOPVSA-N 362.469 5.079 0 1 FKAF CCCCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603653 QNMBYZIWVLYTFD-QPPBQGQZSA-N 374.436 5.438 0 1 FKAF CC(C)c1c(-c2cccc(Br)c2)[nH]c2c(C(=O)O)cccc12 587637113 VJAUJXQLQKYWIL-UHFFFAOYSA-N 358.235 5.419 0 1 FKAF Cc1ccc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587802508 MGABJEJYDBWIRZ-NSPYISDASA-N 373.269 5.002 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1Cc1ccc(C(F)(F)F)cc1 587871148 OLCMCAOPPYXZHE-UHFFFAOYSA-N 364.342 5.155 0 1 FKAF COc1ccc([C@@H](C)[C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc1OC 962671753 UXFPQYCTLXREPJ-NSYGIPOTSA-N 373.496 5.361 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3Cl)cc(-c3cccc(O)c3)n2)cc1 1772596690 GUEBONXHPUCXTK-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF Cc1nc(C)n(-c2ccc(Cl)cc2)c1-c1c(F)ccc(Cl)c1F 1772613382 PQWBACJKCJCBSJ-UHFFFAOYSA-N 353.199 5.741 0 1 FKAF CC(C)=CCC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CC(=O)O)C(C)=CC[C@H]12 2356486565 WZOUGXJIBZOMTP-WMMXXEOUSA-N 372.593 7.323 0 1 FKAF CC(C)=C[C@@H]1C[C@](C)(C=Cc2ccc3[nH]ccc3c2)c2cc3[nH]ccc3cc21 2356607202 FAQRBHZNMOOHPZ-RLWLMLJZSA-N 366.508 7.074 0 1 FKAF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356740358 ATKIEOWZLVCTKM-RRLGGWRQSA-N 370.621 6.775 0 1 FKAF COc1cc(-c2cccn2-c2ccc3ccccc3c2)cc(OC)c1OC 2382239531 QTLZLSUYGGHOJQ-UHFFFAOYSA-N 359.425 5.323 0 1 FKAF O=C(Nc1nc(-c2ccccc2)c(-c2ccccn2)s1)c1ccccc1 2382240620 VMBMZXSGMDQSHW-UHFFFAOYSA-N 357.438 5.124 0 1 FKAF COc1ccc([C@@H]2C[C@](O)(c3ccccc3)Oc3c(C)ccc(C)c32)cc1 13661763 WYYQQTXSEYRJPH-XUZZJYLKSA-N 360.453 5.072 0 3 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1cccc(F)c1)Oc1ccccc1-3 13777099 NVMMRAHFZTXRQY-XMMPIXPASA-N 371.455 6.582 0 1 FKAF CC1(C)C=Cc2c(ccc3c2[C@@H](c2ccc(Cl)cc2)Oc2ccccc2-3)N1 13796850 DITXHXHXUDEFMA-HSZRJFAPSA-N 373.883 6.706 0 1 FKAF CCCCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 14255024 KSYKSTOPPDEULS-UHFFFAOYSA-N 358.290 5.137 0 1 FKAF CC/C(=C(\Cc1ccccc1)c1ccc(OCN(C)C)cc1)c1ccccc1 26017347 RZVFVMWDPSDCTJ-QPLCGJKRSA-N 371.524 6.148 0 1 FKAF COc1ccc(-c2nc(-c3ccccc3)oc2N[C@@H](C)c2ccccc2)cc1 36381625 UPCUPJFKCHHSOB-KRWDZBQOSA-N 370.452 6.190 0 1 FKAF CC1(C)C[C@@H](N(Cc2ccccc2)c2ccccc2)CCN1c1ccccc1 42921425 WWYUAEXOPXUVTJ-VWLOTQADSA-N 370.540 6.141 0 1 FKAF Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccccc1Cl 45371057 QKZCTIPHYYVKKQ-UHFFFAOYSA-N 361.228 5.233 0 1 FKAF O=C1c2cccc(Cl)c2C(Cc2cccc(O)c2)c2c(Cl)cccc21 64454078 KXWDRVDLONIHBV-UHFFFAOYSA-N 369.247 5.618 0 1 FKAF Cc1cc([C@@H]2[C@@H]3CC[C@H](C[C@H]2c2ccc(Br)cc2)S3)on1 66101156 YEUFVHULUPJOQC-YQFWSFKMSA-N 364.308 5.281 0 1 FKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OC(F)(F)F)cc2)n1 72182989 OPJZSVFUNXTTRD-ZDUSSCGKSA-N 356.388 5.299 0 1 FKAF Oc1nc(-c2c(F)cccc2Cl)nc2c1oc1ccc(C3CC3)cc12 84669753 GLWBITRHFXSHPS-UHFFFAOYSA-N 354.768 5.419 0 1 FKAF C/C(=C\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1)CC/C=C(\C)C(=O)O 85589239 QSRURDPJEKTSFH-ODPFLYRHSA-N 372.505 5.630 0 1 FKAF endogenous,in-man c1ccc(-c2nc(NCCc3c[nH]c4ccccc34)c3ccccc3n2)cc1 95595760 YDSUQMUHVXRSRW-UHFFFAOYSA-N 364.452 5.433 0 1 FKAF COc1ccc2c(c1)CCC[C@H]2CCCCN1C(C)(C)CCCC1(C)C 95601866 KJPDPSSXAGVPTL-LJQANCHMSA-N 357.582 6.329 0 1 FKAF CCN(Cc1csc(N)c1C(=O)c1ccc(Cl)cc1)c1ccccc1 96913278 UWBZCNMDMXXANG-UHFFFAOYSA-N 370.905 5.241 0 1 FKAF CC(=O)OCC[C@@H](C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)C(CO)=CCC[C@@H]21 137625202 JXJUDJCWRDJMCG-HMNPXLOQSA-N 350.543 5.127 0 1 FKAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2c1ccncc1 261184712 XAAZZZPPMNDFEH-LWEXMRFPSA-N 351.534 5.489 0 1 FKAF Clc1ccc2c(Nc3ccc(-c4nc5ccccc5[nH]4)cc3)ccnc2c1 474609354 QAHOSSVZNOBTKN-UHFFFAOYSA-N 370.843 6.175 0 1 FKAF CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccco3)[C@H]1[C@H]2C 504543571 YMIQZMUWJPTDGH-ZJUIONJFSA-N 366.457 5.043 0 1 FKAF biogenic FC(F)(F)Sc1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586885562 WJLMMBAHXAIGAA-ORMQQPANSA-N 352.425 5.643 0 1 FKAF Cc1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1C 586960872 QMFGRGLYLNEPKK-MHZLTWQESA-N 374.509 5.218 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 586962745 GZZOWAOWMHTQOY-NSHDSACASA-N 352.381 5.456 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc4ccccc4n3)nc3ccc(O)c1c23 586988431 RJAGJTUZZLEDHI-UHFFFAOYSA-N 374.399 5.367 0 1 FKAF Clc1ccc(-c2cccc3ccccc23)cc1-c1nc2ccccc2[nH]1 587051219 YXUQJWAXPUZWBI-UHFFFAOYSA-N 354.840 6.704 0 1 FKAF Fc1c(Cl)cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1F 587053298 BSKOZPGPYDWFBP-PLNGDYQASA-N 359.590 5.972 0 1 FKAF Clc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1Cl 587053752 IAFBXAUQGRZYCH-PLNGDYQASA-N 358.055 6.347 0 1 FKAF Cc1ccc(Cc2nc3ccc(Br)cc3[nH]2)cc1C(F)(F)F 587094782 HGIOXXWAVFSNSK-UHFFFAOYSA-N 369.184 5.243 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1ccccc1[C@H](C)C4)-c1ccccc1C2=O 587099978 CAVHXABDGSCJOW-OAHLLOKOSA-N 361.444 6.081 0 1 FKAF COc1ccc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)c(O)c1 587106514 IRHLYEOIPZWZOQ-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCCCCCCCC3 587207498 LVCAVPCPPMAMEE-UHFFFAOYSA-N 355.481 6.276 0 1 FKAF COc1cccc(-c2cc(C3CCN(C)CC3)nc3c2oc2ccccc23)c1 587364669 ZUPIXOZWPGNASQ-UHFFFAOYSA-N 372.468 5.466 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3ccccc3C)c1)O2 587401706 WSAXJBXHYKZFFR-QHCPKHFHSA-N 373.452 5.171 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3ccc(C)cc3o1)CC2=O 587477273 FJLXEBZWTYOHOL-JOCHJYFZSA-N 350.414 5.280 0 1 FKAF COc1cc2c(cc1Cl)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587499192 HTNVJIYZIFAWNJ-QFIPXVFZSA-N 368.860 5.034 0 1 FKAF CCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 587629931 NZFZVGZYHYETIP-UHFFFAOYSA-N 355.762 6.599 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(C)CCCCC2)N1 587815661 OMCIUSLFKNCIEW-SGTLLEGYSA-N 354.307 5.308 0 1 FKAF CCC[C@@]1(C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587821831 YFGISXMZQQZJKM-YJYMSZOUSA-N 368.334 5.698 0 1 FKAF Cc1ccc(Cl)c2c(-n3nc4cc3Oc3ccc(F)cc3-4)ccnc12 587873873 KWXIWKSWACEDFJ-UHFFFAOYSA-N 351.768 5.294 0 1 FKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(Br)cc(C)c2[nH]1 587932278 WUMZEOIGSXUCMT-LIRRHRJNSA-N 371.278 5.088 0 1 FKAF CCCOc1cc2nc([C@H](CCC)C(C)C)[nH]c2cc1Br 587954706 DMHVJYMOLBAFEJ-GFCCVEGCSA-N 353.304 5.654 0 1 FKAF CC1(C)[C@@H]2CC=C(COc3ccc4c5c(c(=O)oc4c3)CCCC5)[C@H]1C2 1772625792 SPJGSLDQFWVYOR-FOIQADDNSA-N 350.458 5.043 0 1 FKAF Cc1ccc(Cc2c(C3CCCCC3)nc3c4ccccc4ccn23)cc1 95566522 JYYJGHKCFNXBIM-UHFFFAOYSA-N 354.497 6.434 0 3 FKAF CCN(CC)c1nc(C)nc2c1sc(=S)n2-c1c(C)cc(C)cc1C 2022603 YCKGLHFFHLFPGC-UHFFFAOYSA-N 372.563 5.291 0 1 FKAF CCCC(CCC)N1CCc2cn(-c3ccc(C)cc3)c3nc(C)cc1c23 13645755 XIBMWOYXARLBJE-UHFFFAOYSA-N 361.533 5.974 0 1 FKAF Cc1cc(CCCc2ccccc2)c(CCCCC[C@H](C)C(=O)O)s1 13726660 XHWVSVODLQKTPR-KRWDZBQOSA-N 358.547 6.055 0 1 FKAF Cc1ccc(C(C)(C)C)c(Sc2c(O)cc(-c3ccccc3)oc2=O)c1 27210447 HJBANDVMYMEQPF-UHFFFAOYSA-N 366.482 5.770 0 1 FKAF O=C(O)C[C@@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccccc21 34489822 AEIQZZAOZDLCSH-HNNXBMFYSA-N 353.849 5.238 0 1 FKAF CC(C)c1nc2ccc(-c3nc4ccc(-c5ccccc5)cc4[nH]3)cc2[nH]1 66077929 VLPKIQRBLVUIFW-UHFFFAOYSA-N 352.441 5.897 0 1 FKAF COc1ccc(Cl)cc1-c1cc(N[C@@H](C)c2ccc(F)cc2)ncn1 82162378 RXYVUTLCTBKPKT-LBPRGKRZSA-N 357.816 5.118 0 1 FKAF CC(C)=CCC[C@@H](C)CCOC(=O)/C=C/c1ccc(Cl)cc1Cl 103193358 SNWMJHMXNWYHRU-TUPIDYKKSA-N 355.305 6.322 0 1 FKAF NC1(c2ccc(-c3nc4c(F)cccn4c3-c3ccccc3)cc2)CCC1 199430204 OZHUDFAFDJKZSG-UHFFFAOYSA-N 357.432 5.145 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 586882228 WPZGLZQTWIXNNG-UHFFFAOYSA-N 350.359 6.075 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cc(C(C)C)cc(C(C)C)c4O)[nH]c32)n1 586896763 OZQUFONFWIOCOU-UHFFFAOYSA-N 359.473 6.039 0 1 FKAF Cc1ccc(C)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 587041122 VSYZRHFAZVBWKQ-UHFFFAOYSA-N 371.509 6.025 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc2ccccc2cc1C3 587208513 XLGJNZVBQWMGBM-UHFFFAOYSA-N 369.423 6.171 0 1 FKAF [C-]#[N+]c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587333082 HLQOEEVKPWQZOT-GGAORHGYSA-N 373.383 5.356 0 1 FKAF CCC1(C)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355775 WAINHBSIILNKKM-RDABAPPSSA-N 368.448 5.619 0 1 FKAF COc1cccc(-c2cc(-c3cccnn3)nc3c2oc2ccccc23)c1 587363999 VIRARVYQLNSTDL-UHFFFAOYSA-N 353.381 5.114 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1cc4c(Cl)cccc4s1)[C@@H](C2)C3=O 587450503 FQFNKAMXFLVHNI-BUXKBTBVSA-N 356.830 5.052 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3cc(Cl)ccc3o1)CC2=O 587459449 DOCBOGASLQPHKU-NRFANRHFSA-N 370.832 5.625 0 1 FKAF O=C1C[C@@](c2ccc(F)cc2)(c2ccco2)Oc2c1ccc1c2CCCC1 587504153 GBMFHHSABKPSAN-HSZRJFAPSA-N 362.400 5.207 0 1 FKAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccc(F)cc12 587508689 QFBVPDIPZVHSCF-HXUWFJFHSA-N 350.389 5.466 0 1 FKAF CC[C@@]1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 587530099 AZIVCIAHLXTFKN-BJKOFHAPSA-N 362.469 5.377 0 1 FKAF CCCCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603654 QNMBYZIWVLYTFD-URXFXBBRSA-N 374.436 5.438 0 1 FKAF CCc1ccc(C(=O)c2c(C(F)F)[nH]c3ccc([C@@H](C)CC)cc23)cc1 587643100 RIRSQKIOMZDBKD-ZDUSSCGKSA-N 355.428 6.412 0 1 FKAF Cc1cccc(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587691981 JESQREDEDZULFR-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2F)N1 587726422 XHZXILDPHQLSJJ-VPTHRUTESA-N 372.640 5.004 0 1 FKAF CCc1cccc(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587819316 LRADIWHVTYLFBW-CWTRNNRKSA-N 362.286 5.083 0 1 FKAF C(=C/c1ccccc1Oc1ccccc1)\c1nc2cc3c(cc2[nH]1)OCCO3 587951181 XIZXUASYOBPOHG-ZHACJKMWSA-N 370.408 5.297 0 1 FKAF CC[C@@]1(Cc2nc3ccc4c(c3[nH]2)CCCC4)CC(=O)c2ccccc2C1 587959011 BIBIPZJGURLFFP-DEOSSOPVSA-N 358.485 5.210 0 1 FKAF Cc1ccc([C@]2(CCc3ccc(C)c(C)c3)NCCc3c(C)ccnc32)cc1 963088796 ORKGZJDENUAKPU-SANMLTNESA-N 370.540 5.337 0 1 FKAF O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)C1CCCCCC1 1772573887 PWTXCAMDQQYPCZ-UHFFFAOYSA-N 358.385 5.104 0 1 FKAF Cc1cc(N(C)C)nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc12 1857630435 UULCHGRJNNMEAR-UHFFFAOYSA-N 374.271 5.168 0 1 FKAF C[C@H](O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 1857633922 LAZXVJADKYEIND-DWNCYMOLSA-N 354.534 5.416 0 1 FKAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H]5[C@H](C[C@]4(C)[C@H]3CC[C@]12C)C5(F)F 2356320047 BRZLCOPFROJRBE-ZGNLLCENSA-N 366.492 5.452 0 1 FKAF CO[C@]1(C)CC[C@]2(C)[C@H](OC(C)=O)C[C@]3(C)[C@H](C(C)C)CC[C@@H]3[C@]23C[C@H]31 2356395790 WQESESDLEKDWLI-SVKNSAOLSA-N 362.554 5.222 0 1 FKAF CN(CCCCc1ccccc1)[C@H]1Cc2ccccc2[C@H](c2ccccc2)C1 26820446 WNKDOXHPSHAXOX-BDYUSTAISA-N 369.552 6.088 0 1 FKAF CO/C=C(/C(=O)OC)c1ccccc1/C=C/C=C/c1ccc(F)cc1Cl 27639925 YXWDITDDNOTBPS-GUMYQMQMSA-N 372.823 5.366 0 1 FKAF F[C@H]1Cc2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2[C@H]1F 36080431 PSRFKHITIJTTIS-UWVGGRQHSA-N 357.109 5.103 0 1 FKAF CC[C@@H](C)Nc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2F)n1 82175964 YQAYNQSFPYUMCB-LLVKDONJSA-N 356.470 5.233 0 1 FKAF Fc1cccc(Sc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 84709310 CXWWKQKAUWEQIV-UHFFFAOYSA-N 373.667 5.747 0 1 FKAF Fc1ccc(-c2cc(-c3nc4ccccc4[nH]3)c3cc(F)ccc3n2)cc1 84710743 KFZPUDNRIILALD-UHFFFAOYSA-N 357.363 5.723 0 1 FKAF COc1cccc(N(C)C(=O)c2ccc(-c3cccc(SC)c3)s2)c1 95581699 WATDSOFOVHXELL-UHFFFAOYSA-N 369.511 5.422 0 1 FKAF CCOC(=O)/C=C1/CC[C@H]2[C@@H]3CCc4cc(O)c(CC)cc4[C@H]3CC[C@]12C 101889126 PJLDNPREIIPBAG-ORUMHNOHSA-N 368.517 5.300 0 1 FKAF Oc1cccc(Nc2ncc(-c3ccccc3)c(Nc3cccc(O)c3)n2)c1 114329713 HEOCDBRYUXIDKY-UHFFFAOYSA-N 370.412 5.042 0 1 FKAF Clc1cccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)c1 299831502 QFMXFACGTDFTBC-UHFFFAOYSA-N 370.843 6.175 0 1 FKAF COc1cc(C)cc(-c2ccc(C(=O)N(C)c3cccc(C)c3)s2)c1 299836657 OFACSDPQTNRYMG-UHFFFAOYSA-N 351.471 5.317 0 1 FKAF CN(C)CCOc1ccc([C@H](c2cccc(Cl)c2)c2cccs2)cc1 299861405 LEMUZZUYFLODAC-OAQYLSRUSA-N 371.933 5.522 0 1 FKAF Fc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1 473113281 IIENEOKAKZAFCH-UHFFFAOYSA-N 354.388 5.222 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c2)cc1 586879141 FAMNLBAEPUCWBO-UHFFFAOYSA-N 368.480 6.397 0 1 FKAF CCc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1CC 586879277 KRKXQVNDRKDJNB-UHFFFAOYSA-N 363.686 5.771 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 586898369 ITSHJLOTUSBLEJ-UHFFFAOYSA-N 372.321 5.760 0 1 FKAF Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(Cl)c1 586986793 VKYKTHISUSERIQ-UHFFFAOYSA-N 372.811 5.054 0 1 FKAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C 586990862 GYGYWADMYGLXQO-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF FC(F)(F)c1cc2[nH]c(-c3ccc(Br)o3)nc2cc1Cl 587007640 LZDLKJRGOKKBDJ-UHFFFAOYSA-N 365.536 5.258 0 1 FKAF COc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1F 587145665 NISKEWARZHAXTF-UHFFFAOYSA-N 350.368 5.108 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccnc(Cl)c3[nH]2)c1 587238388 IBNUVSSJPKSXCV-UHFFFAOYSA-N 363.852 5.221 0 1 FKAF CCCCC1(CCCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350803 FIKNLCOAJQOHCW-OAQYLSRUSA-N 370.464 6.009 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)cccc1Cl)CC2=O 587461558 RMYZOAFYWBAKIS-LJQANCHMSA-N 365.256 5.532 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3sccc3nc1Cl)CC2=O 587498233 ZMGZHVVQFSNMKH-MRXNPFEDSA-N 373.861 5.314 0 1 FKAF Cc1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587520742 BSSMHKYYYHKHCX-AREMUKBSSA-N 368.476 5.783 0 1 FKAF CCc1c(-c2cn(CC(=O)O)c3ccccc23)[nH]c2c(C)cc(Cl)cc12 587627133 OUVNVGVECNVIBE-UHFFFAOYSA-N 366.848 5.398 0 1 FKAF O=C(c1c(-c2ccccc2F)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F 587628759 PAIBXOMBWYWXFK-UHFFFAOYSA-N 359.681 5.512 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(Cc3ccc(Cl)cc3Cl)c(C(C)C)c2c1 587640184 FWVYTXRTXFAHBJ-CQSZACIVSA-N 374.355 7.702 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(-c3cccc(F)c3)c2c1 587643129 RTERZEJFLNMXQG-OAHLLOKOSA-N 361.435 7.294 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCC(C)(C)C2)N1 587819188 HGSBZKKPJOWTHR-PSTGCABASA-N 354.307 5.380 0 1 FKAF Cc1ccc(/C=C/[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587821933 YWUNRMJCQUNNHL-HBTYAENMSA-N 360.270 5.185 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3ccccc23)N1 587824877 ZUQRNMYGUCZEEG-FKIZINRSSA-N 370.265 5.365 0 1 FKAF Cc1ccc([C@]2(C(F)(F)F)NCCc3cccc(-c4ccccc4)c32)cn1 962662708 CHQWZGOISYVJEW-NRFANRHFSA-N 368.402 5.009 0 1 FKAF COc1ccc2c(c1)OC(C)(C)C/C2=C(\c1ccccc1)c1ccc(O)cc1 1857645252 LNUGTOYOOAJLRZ-GYHWCHFESA-N 372.464 5.921 0 1 FKAF CC(C)=CCCC1=CC[C@]2(CC1)C(=O)O[C@@H]1C=C(C)CCC=C(C)CC[C@H]12 2356563396 AJMWIYWHXKOBKT-VDKIKQQVSA-N 368.561 6.838 0 1 FKAF CC[C@@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 3849775 ORZBNFZTRWEXII-ZTULREDXSA-N 360.538 5.310 0 1 FKAF biogenic CC[C@H](c1cc(=O)[nH]c(SC2CCCC2)n1)c1cccc2ccccc12 5885208 NLEQDBIPFBBVRO-KRWDZBQOSA-N 364.514 5.500 0 1 FKAF Cn1cc(-c2ccccc2)c([C@H](c2ccc3ccccc3c2)n2ccnc2)c1 5893291 ZSONGYITQGNZIP-VWLOTQADSA-N 363.464 5.680 0 1 FKAF O=C1c2nc(-c3ccccc3)c3ccccc3c2CN1Cc1ccccc1 13765068 YQHHJXCUDUYJFN-UHFFFAOYSA-N 350.421 5.058 0 1 FKAF O=C(CCc1ccc(Nc2ccccc2)cc1)c1ncc(-c2ccccn2)o1 14979940 IVBGIXDVHGYNIG-UHFFFAOYSA-N 369.424 5.296 0 1 FKAF Cc1cc(CCCOc2c(C)cc(-c3ccc(Cl)cc3)cc2C)on1 26674561 HSLJEBYNPXTUFT-UHFFFAOYSA-N 355.865 5.932 0 1 FKAF C[C@H](C1N=CC=N1)[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 40476792 RMALHIYLKVZMFX-NZEUXGBTSA-N 366.549 5.252 0 1 FKAF CCN(CC)Cc1ccc(OCCCCCCCCN2CCCCC2)cc1 49036092 QJYZZKHUOILRJJ-UHFFFAOYSA-N 374.613 5.734 0 1 FKAF Cc1ccccc1-c1nc(NC2CCCCC2)ncc1-c1nc(C)c(C)o1 82177171 YXAUJNXMFMGBDF-UHFFFAOYSA-N 362.477 5.468 0 1 FKAF O=C(O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12 84634131 KLARKHWRPZGSDO-UHFFFAOYSA-N 354.818 5.545 0 1 FKAF CCCCCC[C@H]1C=C[C@H](CCCCCCCC(=O)O)C[C@H]1C(=O)O 100050817 RYKIXDBAIYMFDV-GBESFXJTSA-N 352.515 5.665 0 1 FKAF Cn1ccc2c(N(c3ccccc3)C3CCCCC3)cc3c(c21)[C@@H]1CC[C@@H]3O1 102855500 ZDRFIANKQIHINK-GOTSBHOMSA-N 372.512 6.555 0 1 FKAF Cc1cccc(COc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)c1 103189451 HTPHFTJHDHOXRB-UHFFFAOYSA-N 358.363 5.358 0 1 FKAF S=c1oc(-c2ccc(Cl)cc2)nn1CNc1ccccc1Cl 103230771 YIDFHKJYIVADMR-UHFFFAOYSA-N 352.246 5.249 0 1 FKAF Cc1ccc(N[C@@H](c2ccccc2Cl)c2c(C)[nH]c3ccccc23)cc1C 103244958 OHPHITAKOZIRQQ-DEOSSOPVSA-N 374.915 6.948 0 1 FKAF C/C1=C/CC(C)(C)/C=C/C[C@@]2(C)Oc3cc(O)cc(C)c3C[C@@H]2C[C@H]1O 137779583 QTNDIUYXNQSFIE-HGRUNDETSA-N 356.506 5.084 0 1 FKAF CC(C)(C)Nc1c(-c2cccc(Cl)c2)nc2cc(C(F)(F)F)ccn12 207020340 MKZWVKSABWOAEC-UHFFFAOYSA-N 367.802 5.884 0 1 FKAF C/C(=C\Cc1c[nH]c2ccccc12)CC/C=C(\C)CC[C@H](O)C(C)(C)O 238786616 UETBQCBTOMNFHW-QFGQDTSLSA-N 355.522 5.295 0 1 FKAF Brc1ccc(-c2csc3nc(-c4ccccc4)cn23)cc1 299820040 FEJQKSZMPTYNBK-UHFFFAOYSA-N 355.260 5.492 0 1 FKAF COc1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc2cc1C 586878222 AQIAQTQYJHZJPS-UHFFFAOYSA-N 372.424 5.221 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1 586882125 URVKFERQBUUHJP-UHFFFAOYSA-N 370.500 5.749 0 1 FKAF FC(F)(F)c1c(Br)ccc2nc(-c3ccoc3C3CC3)[nH]c12 586900661 CUHSRLCFTVJPMH-UHFFFAOYSA-N 371.156 5.482 0 1 FKAF Oc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587063753 VFZQISSBEPZOJM-UHFFFAOYSA-N 350.805 5.168 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(Cl)cc(F)c2[nH]1 587067236 ZUBCVMMISMFAHG-UHFFFAOYSA-N 353.224 5.329 0 1 FKAF Cc1ccnc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc12 587071357 LNBPHQHTDRWDPH-UHFFFAOYSA-N 355.228 5.302 0 1 FKAF Clc1ccc2ccn(Cc3nc4ccc(Oc5ccccc5)cc4[nH]3)c2c1 587080171 LFQWNMLNCIZSAH-UHFFFAOYSA-N 373.843 6.012 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587153373 QESGOBKNCMMLQX-UHFFFAOYSA-N 372.321 5.935 0 1 FKAF O=C1c2ccc(O)cc2OC(C2CCC2)(C2CCC2)[C@@H]1c1ccc(F)cc1 587357572 VKCZDYANEPRQMH-OAQYLSRUSA-N 366.432 5.229 0 1 FKAF O=Cc1ccc([C@@]2(C3CCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522700 GMHZAGDTJBFPPR-VWLOTQADSA-N 374.480 5.429 0 1 FKAF CCc1ccc([C@]2(CC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601490 GMOBVGXRKZGLMH-QPPBQGQZSA-N 374.436 5.222 0 1 FKAF CCCCC1(CCCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604870 ZSQUTRSODVPDSP-LJQANCHMSA-N 354.446 5.473 0 1 FKAF COc1cccc(OCc2ccc(-c3nc4c(C)c(F)ccc4[nH]3)cc2)c1 587780949 MZXZYQXKUBHFBW-UHFFFAOYSA-N 362.404 5.265 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(C)C3(C)C)N1 587817028 HHUDOZMGSPWPSJ-ZPBHSWEXSA-N 366.318 5.164 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=CC[C@H]3C[C@@H]2C3(C)C)N1 587822415 KFVUDEQJSOGXCR-MFJGWPQQSA-N 364.302 5.156 0 1 FKAF Cc1oc2ccccc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587826596 FJDLJEZBSIRKPN-DGIBIBHMSA-N 374.253 5.266 0 1 FKAF Cn1cc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cn1 587923363 NGXQGQIATYOOFZ-UHFFFAOYSA-N 374.444 5.498 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4ccc5nc(C)ccc5c4[nH]3)ccc2c1 587935753 VHIRWZDACSJIRA-OAHLLOKOSA-N 367.452 5.733 0 1 FKAF C(=C\c1ccccc1Oc1ccccc1)\c1nc2ccc3ncccc3c2[nH]1 587949634 JIOVZWAQXRDCDP-QINSGFPZSA-N 363.420 6.074 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 587958952 IMXZBUJGMRBXEL-UHFFFAOYSA-N 352.359 5.546 0 1 FKAF Clc1ccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)cc1 653793326 ZJOCTMLFSULLPJ-SOFGYWHQSA-N 367.655 5.384 0 1 FKAF Nc1sc2c(Br)cccc2c1Nc1ccc(F)c(Cl)c1 1857536273 KUROXXWSPWQYSA-UHFFFAOYSA-N 371.662 5.782 0 1 FKAF CC(C)[C@@H]1N=C(c2cccc(Cl)c2)c2cc(Cl)ccc2NC1=S 1857753799 BSUJPZQIHJJHCC-INIZCTEOSA-N 363.313 5.608 0 1 FKAF CC(C)=C[C@@H]1C[C@@](C)(C=Cc2cccc3cc[nH]c23)c2cc3[nH]ccc3cc21 2356448818 PUOYSRIYVHOQQB-QFQXNSOFSA-N 366.508 7.074 0 1 FKAF Cc1ccc(Nc2nc(NCc3ccccc3)nc3ccsc23)c(C)c1 61903304 XGRGSSFKQJNADR-UHFFFAOYSA-N 360.486 5.664 0 3 FKAF COc1ccc(-c2coc3c(C(=O)Nc4cccnc4)cccc23)c(C)c1 61908840 DTQRPVGZGSLLTL-UHFFFAOYSA-N 358.397 5.064 0 3 FKAF O=P(O)(O)C(F)(F)c1cccc(/C=C\c2cccc3ccccc23)c1 13649135 IPGMRKPEOYOEQE-QXMHVHEDSA-N 360.296 5.237 0 1 FKAF CCCN(CCC)C(=O)Cc1c(-c2ccccc2)[nH]c2cc(F)ccc12 13833104 RJMKJOKJEILRGD-UHFFFAOYSA-N 352.453 5.165 0 1 FKAF Clc1ccc([C@@H]2C[C@H](NCc3ccccc3)c3ccccc32)cc1Cl 13835802 FVVRXOHRSYEMTM-UGKGYDQZSA-N 368.307 6.360 0 1 FKAF O=C(CSCCCCOc1ccc(-c2ccccc2)cc1)C(F)(F)F 13860579 ZYRVZVSOXHRCPP-UHFFFAOYSA-N 368.420 5.377 0 1 FKAF CCOC(=O)/C=C/c1ccc(OC/C=C(\C)CCC=C(C)C)c(OC)c1 28890591 WLXUMHKJCOFCCO-RGYSVUDKSA-N 358.478 5.343 0 1 FKAF Fc1ccc(/C=C/c2noc(-c3ccc(C(F)(F)F)cc3F)n2)cc1 72137686 NEVYYESHILCBMO-FPYGCLRLSA-N 352.262 5.204 0 1 FKAF CCOc1ccc(-c2nc(CNCc3ccc(C(C)(C)C)cc3)co2)cc1 72183628 VLEHXLLXJIMLAK-UHFFFAOYSA-N 364.489 5.328 0 1 FKAF COc1ccc(/C=C/c2c(-c3ccccc3)c(=O)oc3cc(O)ccc23)cc1 95589924 VZHZTGYRKIPMMA-UKTHLTGXSA-N 370.404 5.345 0 1 FKAF O=C1NC[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2ccccc2c1 96929914 YHCGXHXZKOJYFY-QFBILLFUSA-N 356.252 5.144 0 1 FKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(Cl)cc1 96940149 STOLJQNAWOSACU-UHFFFAOYSA-N 360.840 6.397 0 1 FKAF C[C@@H](NC(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C)c1ccccc1 103196919 NIGLUZQDBWZGOF-MRXNPFEDSA-N 352.522 6.164 0 1 FKAF CCCCC[C@@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197790 BPKDZDSMBDMZCE-LLVKDONJSA-N 373.444 5.437 0 1 FKAF Cc1cccc2c1ccc1c3c(ccc12)[C@](C)([C@@H](C)CCCC(C)C)CC3 111475549 KUPQKNLBQPAEEE-DCFHFQCYSA-N 358.569 7.968 0 1 FKAF biogenic CCOc1cccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)c1 145475057 KBDYQOOKTSDMFA-UHFFFAOYSA-N 373.378 5.613 0 1 FKAF CC(C)(C)[C@]1(O)CCN2C[C@H]3CCc4ccccc4-c4cccc(c43)[C@@H]2C1 169337521 QALOPIQRQWRCTP-MOADCYBESA-N 361.529 5.311 0 1 FKAF CC[C@@H]1C(=O)N(C2CCN([C@H]3CCCc4ccccc43)CC2)c2ccccc21 169341827 AJLIYNOOTFOYSN-REWPJTCUSA-N 374.528 5.069 0 1 FKAF Fc1cc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2cc1Cl 587006129 IAQOSUSHFYNUES-UHFFFAOYSA-N 364.605 5.038 0 1 FKAF Clc1ccccc1CCc1nc2cc(Br)cc(Cl)c2[nH]1 587057535 BDHWYUFZZIDKQL-UHFFFAOYSA-N 370.077 5.417 0 1 FKAF COc1ccc(CCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587105944 CDQMKFSUSOZUKS-UHFFFAOYSA-N 365.432 5.240 0 1 FKAF CNc1c(F)cccc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587135777 OGHLNHMKCUBDAD-UHFFFAOYSA-N 374.444 5.687 0 1 FKAF CC/C=C/CCCCCc1cnc2cccc3c2c1-c1ccccc1C3=O 587206643 FWFMPTBNNJDPOI-ONEGZZNKSA-N 355.481 6.515 0 1 FKAF CC(C)CC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359028 ZJJSJFQRCBEQKJ-FYYLOGMGSA-N 368.448 5.475 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](C(C)C)C3)c1 587365696 IOCYUROQTWTXGU-MRXNPFEDSA-N 371.480 6.418 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)[C@H](C)C3)c1 587366972 PEEPOKPPPMOZHN-CABCVRRESA-N 357.453 6.027 0 1 FKAF Cc1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587405250 KBKDMLXJLLDCRX-XMMPIXPASA-N 357.453 5.103 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cccc(Cl)c3n1)CC2=O 587462718 RPKZDQLZTRBHJY-IBGZPJMESA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(Cl)s1)CC2=O 587493909 IWQOQIRJAFUUCI-SFHVURJKSA-N 350.867 5.330 0 1 FKAF CCCCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603656 QNMBYZIWVLYTFD-XUZZJYLKSA-N 374.436 5.438 0 1 FKAF CCCOc1cccc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587778749 OSAQPDIFPIRVLB-UHFFFAOYSA-N 366.408 5.554 0 1 FKAF COc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1C 587783504 BRAYSAXXVOTVHH-JLHYYAGUSA-N 370.452 5.629 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2CCC2)N1 587819764 NGUXMSOVDAADFF-XCLFUZPHSA-N 374.297 5.166 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2cc(Cl)ccc2s1 587872960 ULBAVCHDPFYPJT-UHFFFAOYSA-N 373.840 5.340 0 1 FKAF Cc1c(F)ccc2c1[C@@H](c1cn(Cc3ccccc3)c3ccccc13)NCC2 962375718 OZXRPOAYXOKKAE-RUZDIDTESA-N 370.471 5.372 0 1 FKAF CCCc1sc([C@@H]2NCCc3cc(Cl)ccc32)cc1Br 963381076 OULDQOQAHATFRR-MRXNPFEDSA-N 370.743 5.352 0 1 FKAF CO[C@H]1CCCc2nc(Nc3ccc(Oc4ccccc4C)cc3)sc21 1857769410 CYQNYNFMIMATRH-IBGZPJMESA-N 366.486 6.011 0 1 FKAF Cc1c(-c2ccc(O)cc2)cnc(O)c1[C@@H]1[C@H](C)C[C@H](C)C[C@@](C)(O)[C@@H]1C 2356709951 CVKLZCJJHAKETK-URHFCYIRSA-N 369.505 5.005 0 1 FKAF CCCN1CC[C@@H]2c3c([nH]c4ccc(Cl)cc34)[C@@H](CC)[C@@H]3CCC[C@H]1[C@@H]23 211061169 GHYXQDGNDLHZQP-YRJWVXGYSA-N 370.968 6.313 0 3 FKAF O=C(O)c1ccc2c(c1)nc(-c1cc3ccccc3o1)n2C1CCCCC1 3626284 CRCUYFNJFFPTDM-UHFFFAOYSA-N 360.413 5.653 0 1 FKAF COc1ccc([C@H](Cc2ccncn2)c2ccccc2)cc1OC1CCCC1 13441956 HRRDVCOMBKOBDB-JOCHJYFZSA-N 374.484 5.181 0 1 FKAF CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(OC(C)C)cc2C)c1C 14974995 DJOXVWGBBGPQEH-UHFFFAOYSA-N 371.521 6.462 0 1 FKAF CCCCCNc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 28710498 ZBSLIPYRPMLJDW-UHFFFAOYSA-N 367.492 6.826 0 1 FKAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@H]2c1nc2ccccc2s1 58608711 VNCQCMIYVRPIMZ-ZTRFORPCSA-N 368.933 5.684 0 1 FKAF CCCCC(C)(C)[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 59840754 OXOAFCTVSCEACA-VYVMALSDSA-N 366.542 5.140 0 1 FKAF CC(C)c1c(O[C@@H]2CCCC[C@H]2C)cc(CCc2ccccc2)[nH]c1=O 95589746 TWHPGIQZGKDNQM-YLJYHZDGSA-N 353.506 5.241 0 1 FKAF O=C(O)c1sccc1SCc1ccc(Cl)c(Br)c1 95920679 IRIFYVKSSQVSCC-UHFFFAOYSA-N 363.685 5.155 0 1 FKAF in-vitro CC[C@H]1CCCCCCc2c1oc(O)c([C@H](c1ccccc1)C1CC1)c2=O 100712858 WNGUQXPUAIUOMO-OXJNMPFZSA-N 366.501 5.888 0 1 FKAF CCCNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 103246799 WYHNFRJKFMDHPY-UHFFFAOYSA-N 368.329 5.342 0 1 FKAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3ccc4ncccc4c32)cc1 104052130 HQEJDBGGJWFDHG-NRFANRHFSA-N 356.425 5.457 0 1 FKAF CCC[C@H](C(=O)O)c1c(C)nc2c3ccccc3nn2c1-c1ccc(C)cc1 140347383 ZCHVIKJTLWPNBL-SFHVURJKSA-N 373.456 5.135 0 1 FKAF Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c(F)c1 146545260 IEHOOLMQRMNLOQ-UHFFFAOYSA-N 368.427 5.850 0 1 FKAF CC(C)=C[C@H]1C[C@](C)(/C=C/c2ccc3[nH]ccc3c2)c2cc3[nH]ccc3cc21 238773716 FAQRBHZNMOOHPZ-UZCQPXAQSA-N 366.508 7.074 0 1 FKAF CC(C)COc1cc2nc(C3(F)CCCCC3)[nH]c2cc1Br 587131410 GTKMTULLUXDVHF-UHFFFAOYSA-N 369.278 5.489 0 1 FKAF CC(C)(C)c1cccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c12 587145613 ODEZCABVRXYNNZ-UHFFFAOYSA-N 362.423 6.473 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cccc(C)c4[nH]3)c(Cl)c2)cc1F 587145841 SNZWMLJJFWNHFN-UHFFFAOYSA-N 350.824 6.306 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(Cl)cnc3[nH]2)c1 587158984 UHUOMCXNCMBGAR-UHFFFAOYSA-N 367.811 5.017 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1 587165577 ZZNAEYHYHOJVCJ-UHFFFAOYSA-N 350.462 6.395 0 1 FKAF O=C1c2ccccc2-c2cc(-c3c(O)ccc4ccccc34)nc3cccc1c23 587205976 GAVQFJFOBRLPKK-UHFFFAOYSA-N 373.411 5.972 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(C1CCC1)CC2=O 587490803 UZSSFUMXPRVMSS-HSZRJFAPSA-N 350.458 5.314 0 1 FKAF O=C1C[C@@H](c2ccc(F)cc2OCC2CC2)Oc2c1ccc1c2CCCC1 587505845 QGHNWVCMSCUATF-QFIPXVFZSA-N 366.432 5.200 0 1 FKAF COc1cc2c(cc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 587528095 ZMHIGRIQKHZJNT-QHCPKHFHSA-N 362.469 5.159 0 1 FKAF Cc1[nH]c2cc(F)ccc2c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 587634111 SLEQNCRZGPFQAE-UHFFFAOYSA-N 370.733 5.540 0 1 FKAF CC1CCN(CCc2c(-c3ccc(F)cc3)[nH]c3cccc(F)c23)CC1 587634668 OOJDYYWUAHMXML-UHFFFAOYSA-N 354.444 5.388 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(C)(C)C)c(OC(=O)c3ccccc3F)c2c1 587642428 NOOKYLTWMKFKMO-AWEZNQCLSA-N 367.464 6.337 0 1 FKAF CC[C@H](C)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660102 NKPXVJDVUSYELE-INIZCTEOSA-N 372.443 5.705 0 1 FKAF O=C(c1cccc(Oc2ccccc2)c1)n1nc2cc1Oc1ccc(F)cc1-2 587873075 BTOWHADIBJPUAQ-UHFFFAOYSA-N 372.355 5.276 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 587932994 SPFJEBGQUXTUQK-UHFFFAOYSA-N 368.358 5.924 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(Br)c(C)nc2[nH]1 587951350 SYLSPVJMJZZKAC-GMXABZIVSA-N 366.303 5.075 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(F)c(Br)c2[nH]1 587952502 SHUVKWSBHMMJRW-WDMOLILDSA-N 369.278 5.511 0 1 FKAF COc1ccc2c(c1)[C@H](c1c[nH]c3cc(C(C)C)ccc13)N(C(C)C)CC2 962095400 YMHXVNXVSNDOPJ-XMMPIXPASA-N 362.517 5.656 0 1 FKAF CC[C@]1(c2cc(F)c(O)c(F)c2)NCCc2cc(-c3ccccc3)ccc21 962666456 MGURIUGNGIWYBB-HSZRJFAPSA-N 365.423 5.137 0 1 FKAF FC(F)(F)c1ccc(-c2cc(-c3ccsc3)c3ncccc3n2)cc1 1857630011 VMWQBKSTWRDJRB-UHFFFAOYSA-N 356.372 6.044 0 1 FKAF CC1(C)CCC(C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)CC1 1857655090 VZGTYXNAGBMYGD-UHFFFAOYSA-N 356.413 5.470 0 1 FKAF CC=CCCCCCCC[C@@H]1[C@@H]2C=C[C@@H]3[C@H](C(=O)OC)C=C[C@@H]4C[C@@H]1[C@@H]2[C@@H]43 2356419165 JBYCJIRPGDZNGC-XRQUXUPDSA-N 368.561 5.953 0 1 FKAF CCC=CC[C@H](C=CC=CCCCCCCCC(=O)OC)OC(C)=O 2356456958 XXQCJTKSMNNZSF-HXUWFJFHSA-N 350.499 5.291 0 1 FKAF CO[C@@H]1CC[C@H]2[C@H](CC[C@H]3CC4=CC[C@@H]5C[C@H](OC)CC[C@H]5[C@H]4CC[C@H]32)C1 2356745730 SRLQTLATHMPQSG-UBUKEHHDSA-N 372.593 6.005 0 1 FKAF COC(=O)c1ccc2nc(-c3ccc(C)cc3)c(CC3CCCCC3)n2c1 72128602 FFMLHSKGDXQWSR-UHFFFAOYSA-N 362.473 5.219 0 3 FKAF COC(=O)[C@]12CCCC(C)(C)[C@H]1C=Cc1cc(C(C)C)c(OC)c(OC)c12 13480778 YSNDSABGXVFRFW-UZUQRXQVSA-N 372.505 5.091 0 1 FKAF biogenic,in-vitro CCCCC/N=c1\ccn(Cc2ccc(Cl)cc2)c2c(F)cccc12 13741416 OAODRMULJIORIK-HIXSDJFHSA-N 356.872 5.573 0 1 FKAF CC(C)CN(Cc1csc(Nc2cccc3ccccc23)n1)CC(C)C 34282499 LRVKZYHKIZIVFI-UHFFFAOYSA-N 367.562 6.154 0 1 FKAF CCc1ccc(-c2cc(NCc3ccc(OC(F)(F)F)cc3)ncn2)cc1 82160776 KZQPNPBMLJTRLO-UHFFFAOYSA-N 373.378 5.217 0 1 FKAF CC1(C)CCC(C)(C)c2cc(C(=O)NCc3ccc(F)cc3F)ccc21 84710124 ABHWCTSMZFXRJY-UHFFFAOYSA-N 357.444 5.244 0 1 FKAF O=C(O)C[C@H](CC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 95573392 VYCRXVQVIWXTCT-QHCPKHFHSA-N 368.432 5.824 0 1 FKAF CC(C)=CCC/C(C)=C\CC/C(C)=C/Cc1c(O)c2ccccc2oc1=O 105509070 NJJDBBUWWOAOLD-WQDROVKFSA-N 366.501 6.460 0 1 FKAF CCCCC[C@](C)(Sc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(=O)O 167547932 YWXLRVPPDFXNCL-QFIPXVFZSA-N 364.595 6.797 0 1 FKAF CC(C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 199121997 HWRYKNYRSRPFPM-HCDHESKZSA-N 372.637 6.855 0 1 FKAF FC(F)(F)c1cc(Cl)c2nc(-c3ccc(C4CCC4)cc3)[nH]c2c1 586880639 OIQWPNKQBWDWAK-UHFFFAOYSA-N 350.771 6.170 0 1 FKAF O=C(O)c1ccccc1/C=C\c1nc2ccc(SC(F)(F)F)cc2[nH]1 586881346 WSHSOXTUUBPZKJ-YVMONPNESA-N 364.348 5.043 0 1 FKAF CC(=O)c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586990779 HCDSJYGBPGQQKV-UHFFFAOYSA-N 365.388 5.021 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1nc(Cl)ccc1C4)-c1ccccc1C2=O 586993124 LFHVMKFONOAJLF-UHFFFAOYSA-N 368.823 5.374 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4c(C)c(F)ccc4[nH]3)cc2)n1 587020022 CFJIZHHODCOLNG-UHFFFAOYSA-N 369.490 5.735 0 1 FKAF CCc1ccc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2c1 587063745 UWKZRCUXZJYVLJ-UHFFFAOYSA-N 367.836 5.321 0 1 FKAF Fc1cccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587114372 RUTJFQIXFDTTOI-UHFFFAOYSA-N 372.321 6.180 0 1 FKAF Cc1ccc2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)oc2c1 587207997 ZVLKCOUPTYFOAE-UHFFFAOYSA-N 361.400 6.168 0 1 FKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 587241404 APGFHOBNSATBNC-UHFFFAOYSA-N 361.367 5.233 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587250584 MHWKOCVTLMOXKM-UHFFFAOYSA-N 354.240 5.786 0 1 FKAF CC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)CC(=O)c2cc(C)cc(N)c2O1 587386796 KRJQZTAEOZJJDL-DEOSSOPVSA-N 374.484 5.067 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)c(Cl)cc1F)CC2=O 587468583 YGMJGTYIWDSBQI-FQEVSTJZSA-N 362.828 5.326 0 1 FKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1CCCCCC1 587628095 NWJRUYACPUSQDN-UHFFFAOYSA-N 364.333 5.894 0 1 FKAF O=C(O)Cc1c(-c2ccc(Cl)c(F)c2)[nH]c2ccc(F)c(Cl)c12 587629435 QCHHOCZWOQRSEP-UHFFFAOYSA-N 356.155 5.047 0 1 FKAF CSc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 587629776 HBXIXDXDOGNBGP-UHFFFAOYSA-N 359.775 6.368 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2Cl)N1 587696053 KPPFAYLYGPRKHR-QGHHPUGFSA-N 368.677 5.039 0 1 FKAF Cc1c(Cl)ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587784290 OZBLWQPQXNZKHW-NTEUORMPSA-N 374.871 6.274 0 1 FKAF CC(C)c1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587820104 OVTQRTAYUMQICB-HXPMCKFVSA-N 362.286 5.335 0 1 FKAF Fc1cc2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2cc1Cl 587956499 RVOMSGIOYCRRSA-INIZCTEOSA-N 350.824 5.730 0 1 FKAF Cn1cccc1CN1CCc2sccc2[C@]12CCCC[C@@H]2c1ccoc1 962401162 VWPPRFUJHCKQJU-DENIHFKCSA-N 366.530 5.291 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1c(F)cccc1C(F)(F)F 963098447 GVTIZRFTTKOADH-SCLBCKFNSA-N 353.334 5.094 0 1 FKAF Oc1c(Cl)cc(Cl)c2ccc(/C=C/c3c(F)cccc3Cl)nc12 1857552739 QFEWXAVZIZGMHV-GQCTYLIASA-N 368.622 6.210 0 1 FKAF O=C(c1ccccc1Cl)c1ccccc1-c1cccc(C(F)(F)F)c1 1857654208 NPNIBPOMAMEFFZ-UHFFFAOYSA-N 360.762 6.257 0 1 FKAF COCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)OC 2356516102 LKUFKKPWSGIMCX-ITBLURSFSA-N 350.543 5.391 0 1 FKAF C[C@H]1C=C(CCCCCCCCCCCCC2=C[C@@H](C)OC2=O)C(=O)O1 13358990 NBNKOPMYYYWKOW-HDICACEKSA-N 362.510 5.411 0 1 FKAF biogenic CCCN(CCC)[C@H]1CCc2c(cccc2-c2c(OC)cccc2OC)C1 13581251 UZMHRPBLJWVAII-IBGZPJMESA-N 367.533 5.350 0 1 FKAF CCN(CC)Cc1sc(Nc2cccc(C)c2)nc1-c1ccncc1 45301731 PXCHBMWWPFKWLG-UHFFFAOYSA-N 352.507 5.099 0 1 FKAF CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2cccnc2)cc1 84714445 NCKDOAKWRLMFOI-IBGZPJMESA-N 369.512 5.830 0 1 FKAF CCN(CC)P(=O)(Oc1occc1Cc1ccccc1)N(CC)CC 103297135 CUUPVTKLZCHMNR-UHFFFAOYSA-N 364.426 5.041 0 1 FKAF CC(C)CCn1cc(-c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)cn1 167688184 ARBQPEAQBSGLPG-UHFFFAOYSA-N 374.488 5.144 0 1 FKAF C[Si](C)(C)CCCCCCCCCCCNc1ccc(C(=O)O)cc1 194951261 SFQLLPNIYPMSQB-UHFFFAOYSA-N 363.618 6.646 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(C)c(F)cc3[nH]2)c1 586879599 URNPOQFIMDUTJS-UHFFFAOYSA-N 358.416 5.525 0 1 FKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 586891584 UJUFJLUURKANCM-ACJLOTCBSA-N 373.294 5.088 0 1 FKAF CCCCC1CCC(c2nc3ccc(F)c(Br)c3[nH]2)CC1 586892735 VZOMAKTZJCCAKK-UHFFFAOYSA-N 353.279 5.929 0 1 FKAF Cc1nccc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc12 587015092 FHANPZDSIFWVLW-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF FC(F)(F)Oc1cccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 587054622 PEVKXHIZAXWAAO-BQYQJAHWSA-N 373.161 5.939 0 1 FKAF Clc1ccccc1-c1nc(-c2nc3cccc(Br)c3[nH]2)co1 587062200 FQAKJDJPQUEAOC-UHFFFAOYSA-N 374.625 5.301 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(F)c(F)c3F)nc3cccc1c23 587102586 AXDATXBSWOXJPJ-UHFFFAOYSA-N 361.322 5.531 0 1 FKAF Cc1c(C(C)(C)c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587107796 WBPQBKQPCQDYNY-UHFFFAOYSA-N 363.460 6.081 0 1 FKAF Fc1cc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)ccc1-c1ccccc1 587145376 LRUHDPCZLIBWAB-UHFFFAOYSA-N 372.777 5.891 0 1 FKAF Cc1cc(C)cc(-c2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)c1 587411513 CTDUTPFPWZZPHY-LJQANCHMSA-N 364.470 5.024 0 1 FKAF COc1cc2c3c(c1)OC(C1CCCCC1)(C1CCCCC1)[C@@H](C2)C3=O 587446117 UFLSTVGDBGJQQE-IBGZPJMESA-N 354.490 5.342 0 1 FKAF CCCc1c(O)ccc2c1O[C@H]([C@H](C)CC[C@@H](C)CC(C)(C)C)CC2=O 587490655 SXFKNFBMHYHDGX-ZOCZFRKYSA-N 360.538 6.167 0 1 FKAF Cc1c(F)ccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n(C)c12 587506527 UAFNFFYOXBDTEJ-OAQYLSRUSA-N 363.432 5.211 0 1 FKAF CC1(c2ccc(F)cc2)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587510126 UXNWDGLEZIHOAD-UHFFFAOYSA-N 350.433 5.160 0 1 FKAF CCCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c(C)cc(Cl)cc12 587623807 QBSJRNAEVOZFKP-UHFFFAOYSA-N 352.692 7.056 0 1 FKAF COc1cccc(OCc2ccc(-c3nc4cc(C)c(OC)cc4[nH]3)cc2)c1 587781890 YNXZDXVVSKZKJF-UHFFFAOYSA-N 374.440 5.135 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2CCCCCC2)N1 587817957 FTMWNVBOMFPIDP-KZULUSFZSA-N 354.307 5.308 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 587931592 KQSRTELQXRFWKU-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF COc1ccc(OC(C)(C)C)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587944683 FXQPHKKUTOTSLX-GOSISDBHSA-N 371.452 5.628 0 1 FKAF O=C(c1sc2cc(O)ccc2c1-c1ccc(F)cc1)C1CCCCC1 653806068 NKQDICWOCQIBIF-UHFFFAOYSA-N 354.446 6.176 0 1 FKAF COc1ccc(-c2cc3ncnc(NCCc4ccccc4)c3s2)cc1 958064364 JQLWEOWDUJSQMD-UHFFFAOYSA-N 361.470 5.022 0 1 FKAF Cc1cccc2c1[C@H](C)C[C@]21NC2(CC2)Cc2ccc(Br)cc21 961614402 KYTOQFBEOIZMEV-SZNDQCEHSA-N 368.318 5.187 0 1 FKAF COc1ccc(C(=O)Oc2cc3c(cc2C)[C@@H](C(C)C)CC=C3C)cc1 1772652207 ATSGWNKQVVSUGY-LJQANCHMSA-N 350.458 5.769 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccc(Cl)cc2)s1 1857606668 KZFHOVXSDPXLQV-UHFFFAOYSA-N 363.269 6.366 0 1 FKAF CCc1cccc(-c2nn3c(c2-c2ccc(OC)cc2)[C@H](C)C(C)(C)C3)n1 1857773421 UIEFPHQJJNNOHX-HNNXBMFYSA-N 361.489 5.326 0 1 FKAF O[C@H](c1cccc(Cl)c1)c1nc(-c2cccc3cccnc23)cs1 61908347 FHZILDWMICDIGC-GOSISDBHSA-N 352.846 5.093 0 3 FKAF CCCC/C=C\[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 7991731 IBXMHGFEWDRXEA-POGDKVGISA-N 361.407 5.923 0 1 FKAF aggregator CCC(=O)C(CCCCCCOc1cc(Cl)cc(OC)c1)C(=O)CC 32138821 BXOPECNIVNDSGE-UHFFFAOYSA-N 368.901 5.252 0 1 FKAF CC(C)=CCC/C(C)=C/CN1C(=O)[C@@]2(C[C@@H](C)C[C@@H](C)O2)c2ccccc21 36381953 FCLSDSXDBAGLFT-YGNKNYMTSA-N 367.533 5.756 0 1 FKAF CC[C@H](Nc1noc(-c2c(-c3ccccc3)noc2C)n1)c1ccccc1 45191031 AHSLRIIXQCSHNS-KRWDZBQOSA-N 360.417 5.263 0 1 FKAF CCO[C@@H](c1cccc(Cl)c1)[C@H](SC(C)(C)C)n1cnc(C)c1 45366950 FGZAOCWSFPMXJL-IRXDYDNUSA-N 352.931 5.653 0 1 FKAF COc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1F 95589967 AWLQPQFMCOLBQN-UHFFFAOYSA-N 351.402 5.277 0 1 FKAF C[C@H](c1cccc2ccccc12)N(C)Cc1cccc(Br)c1 96930051 CEFBDZIOKWAKRJ-OAHLLOKOSA-N 354.291 5.795 0 1 FKAF O[C@]1(C(F)(F)F)CCCc2c1[nH]c1c(Cl)cc(Cl)c(Cl)c21 118629064 ZMCLYZWHCWDGQL-GFCCVEGCSA-N 358.574 5.214 0 1 FKAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169323472 UIRGBYWISWGYEM-JKIHLICWSA-N 373.581 5.081 0 1 FKAF CCc1ccc([C@H]2Nc3ccccc3C(=O)N2[C@@H](C)c2ccccc2)s1 206865207 CNNUXIFAUGMLRE-BTYIYWSLSA-N 362.498 5.638 0 1 FKAF OCCc1cccc(Nc2cc(-c3cccc(Cl)c3)nc3c2CCC3)c1 220085680 ZQBBCONWIOAVGQ-UHFFFAOYSA-N 364.876 5.169 0 1 FKAF CC(C)(C)CNCc1ccc(OC(=O)Oc2ccc3ccccc3c2)cc1 220494594 UIALWJJGDVUBQK-UHFFFAOYSA-N 363.457 5.553 0 1 FKAF Cc1ccnc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc12 587073808 OVVIARAUBPFCBB-CYVLTUHYSA-N 373.887 6.093 0 1 FKAF COc1ccc([C@H](C)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587105806 AJGXFBRCKQLFBT-HNNXBMFYSA-N 365.432 5.607 0 1 FKAF CC(C)(C)c1cccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587150481 RQJBTSGFGWVILX-NRFANRHFSA-N 373.475 6.201 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cc(C(C)C)ccc13)CC2=O 587480179 CPTOGTXBJYJGTD-JOCHJYFZSA-N 363.457 5.656 0 1 FKAF Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 587495005 BBLANERNIGLLCQ-LJQANCHMSA-N 371.274 5.343 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(C(F)F)c1 587554085 GWKMDTUHXYARDM-YLJYHZDGSA-N 368.335 5.033 0 1 FKAF CCCCC(CCCC)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600916 DBXDWLCEIJNBJE-NFBKMPQASA-N 368.473 5.719 0 1 FKAF Cc1ccc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)c(Cl)c1 587628654 QHRLWGSWMBAEHU-UHFFFAOYSA-N 351.208 5.483 0 1 FKAF CCCc1c(-c2ccc(Cl)c(Br)c2)[nH]c2cccc(F)c12 587632080 DVKPZSJYCDRNLG-UHFFFAOYSA-N 366.661 6.342 0 1 FKAF COCCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(F)ccc12 587633365 ACLBNQVJBZOOSX-UHFFFAOYSA-N 351.343 5.572 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3Cl)c(C(=O)C(=O)OC)c2c1 587641633 NWLBTMUUOYFWLI-GFCCVEGCSA-N 369.848 5.358 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C3CC3)c2)N1 587816509 ZBFCYUYFGLGNTE-ODXCJYRJSA-N 374.297 5.263 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]3CCCC[C@@H]32)N1 587816546 ABYWZBHHURUGGD-PITQQHRWSA-N 366.318 5.308 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1cccc(C(F)(F)F)c1 587871338 UCIBKJQNRHCBKD-UHFFFAOYSA-N 350.315 5.096 0 1 FKAF COc1cc(C2(c3nc4cc(C)cc(Br)c4[nH]3)CC2)ccc1C 587925801 QEOFWGXVWFARDT-UHFFFAOYSA-N 371.278 5.031 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(OC(C)C)cc3[nH]2)cc1 587938356 VKFGEEQYYXYUCN-HSZRJFAPSA-N 372.468 5.539 0 1 FKAF CC(C)=CCC/C(C)=C/c1nc2cc(Cl)cc(Br)c2[nH]1 587966189 ALDQZEALRQNOHH-YRNVUSSQSA-N 353.691 6.129 0 1 FKAF COc1cccc2cc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)ccc12 962667914 MUWROHWDZDKXQH-SANMLTNESA-N 365.476 5.751 0 1 FKAF Cc1ccccc1-n1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)c1 962671500 SYJAVAQQOQGVIG-AREMUKBSSA-N 364.492 5.688 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(Cc1ccccc1)c1ccccn1 963232426 SIAMLNSSRFUSDO-NBGIEHNGSA-N 356.513 5.225 0 1 FKAF Cc1ccc(-c2ccc([C@@]3(C)NCCc4ccc(O)cc43)cc2)c(Cl)c1 963340870 JOPOEGUSPQRTNM-HSZRJFAPSA-N 363.888 5.430 0 1 FKAF CSc1ccc(NCc2ccc(CNc3ccc(SC)cc3)o2)cc1 1857588730 ZMLBKKOFGXSUAL-UHFFFAOYSA-N 370.543 5.948 0 1 FKAF CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H]4C(=CC[C@@H]12)CO[C@@H]4C[C@@]3(C)O 1857634298 QSOMGKKDJLUENE-DJWQHNRMSA-N 370.577 5.684 0 1 FKAF CC[C@H](C)CCCCCCCC=C[C@H](C)[C@@H](O)CCCCCC(=O)O 2356402372 FVAQKIAHIHAUHV-ACRUOGEOSA-N 354.575 6.352 0 1 FKAF CC(=O)O[C@@H]1C[C@]2(C)C(C)=CCC[C@@H]2[C@](C)(CCC(C)=CC(=O)O)[C@@H]1C 2356494446 DJEUHRRTZPCWNH-RTTUQUNYSA-N 362.510 5.138 0 1 FKAF CC[C@H](Cc1ccccc1)c1cc(O)c([C@H](CC)c2ccccc2)c(=O)o1 6412570 HALPINAQGOXQAN-UYAOXDASSA-N 362.469 5.624 0 1 FKAF Cc1ccc(-c2cc([C@@H]3[C@@H](c4ccc(C)cc4)C[C@H]4CC[C@@H]3N4C)on2)cc1 36177175 IQNHMRJZPKQKFD-NTNMUZRVSA-N 372.512 5.692 0 1 FKAF Nc1scc(-c2ccc3ccccc3c2)c1C(=O)c1ccc(Cl)cc1 43024311 FSALUPIWMJOTIT-UHFFFAOYSA-N 363.869 6.035 0 1 FKAF CCCCCC[C@H](C)NCc1coc(-c2ccccc2Br)n1 72103901 XVUWPLGEVFXFKU-AWEZNQCLSA-N 365.315 5.553 0 1 FKAF CN(CCc1ccccc1)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 72186134 BNGPGTDMZGOBFL-UHFFFAOYSA-N 360.379 5.035 0 1 FKAF CN(Cc1ccccc1)c1cc(Oc2ccc(-c3ccccc3)cc2)ncn1 82067470 XKSBREOAHUETMA-UHFFFAOYSA-N 367.452 5.572 0 1 FKAF CN(CCCOc1ccc(-c2cc3ccccc3o2)cc1)Cc1ccccc1 95575508 PXKJJLMLRTYTNP-UHFFFAOYSA-N 371.480 6.001 0 1 FKAF CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccc(F)c(F)c3)C2=C(O)C1 100639943 GWOMKSDEPDVLJG-FQEVSTJZSA-N 354.400 5.836 0 1 FKAF Cc1[nH]c2ccccc2c1[C@@H](NCc1ccccc1)c1ccccc1Cl 103244878 FCLRKOQXOJBTEP-QHCPKHFHSA-N 360.888 6.009 0 1 FKAF Cc1ccc2c3c(ccc2n1)N=C1CCCC(O)=C1[C@@H]3c1ccc(F)cc1 104105923 RJZFXBIKSGFONW-OAQYLSRUSA-N 358.416 5.896 0 1 FKAF c1cc(N[C@H]2CCCN(Cc3ccc(C4CC4)cc3)C2)c2ccncc2c1 114335898 NWQAWCOYBNUWPT-QFIPXVFZSA-N 357.501 5.189 0 1 FKAF O=C(Cc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1 165042958 AESHPDOJWHYGAD-UHFFFAOYSA-N 365.404 5.667 0 1 FKAF Cc1cc(O)cc(C)c1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 167133685 VWXZFKLRPYZFKA-UHFFFAOYSA-N 354.413 5.096 0 1 FKAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1nc2ccccc2s1 169371810 VNCQCMIYVRPIMZ-HBXLWWENSA-N 368.933 5.684 0 1 FKAF CCOC(=O)c1c(Nc2cccc(F)c2)[nH]c2c1cc(O)c1ccccc12 473098012 DZVDATRQGIXTIV-UHFFFAOYSA-N 364.376 5.086 0 1 FKAF Cc1nc(C2CC2)sc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 587012050 MCDFPNMPXZZUDY-UHFFFAOYSA-N 362.296 5.252 0 1 FKAF Cc1cc(Br)cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 587097655 MJPFIKWRVCYSGG-UHFFFAOYSA-N 373.147 5.459 0 1 FKAF CCCC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587461676 LPBXLMCEQCMIEJ-QFIPXVFZSA-N 372.892 6.049 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)cc(C(F)(F)F)c1)CC2=O 587463856 CVYJQJOKPJSSES-SFHVURJKSA-N 364.363 5.378 0 1 FKAF O=C1C[C@@]2(CCCOc3cc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587499136 HJHXPEMBBXKXGR-JOCHJYFZSA-N 368.860 5.252 0 1 FKAF O=C1C[C@@H](c2ccc3cc(Cl)ncc3c2)Oc2c1ccc1c2CCCC1 587502374 VHLYJUGGUKPRKX-FQEVSTJZSA-N 363.844 5.474 0 1 FKAF COc1cc(-c2[nH]c3c(C)cc(Cl)cc3c2CC(=O)O)ccc1Cl 587623445 HLDUWSAPRURODN-UHFFFAOYSA-N 364.228 5.086 0 1 FKAF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587696030 PBJLCXUDIPGQCL-BMLIUANNSA-N 368.677 5.174 0 1 FKAF Cc1cc(Cl)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587700552 UUHSZVYDIKWSIZ-BMLIUANNSA-N 368.677 5.174 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2F)N1 587713183 BSXMPRLSCZUAOB-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF CC(C)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587817393 BSOAHVJUGPQBTM-BLVKFPJESA-N 362.286 5.335 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cs2)N1 587844476 ARUAYBXAWXAJHQ-GLEZIHRCSA-N 374.706 5.101 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 587925143 OXSHNVIIQKVUEF-UHFFFAOYSA-N 367.417 6.098 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587950545 CQOWPJAXIUTYTH-LBPRGKRZSA-N 356.347 5.875 0 1 FKAF COCc1cccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1 653775424 WEVPTBSPKBILIS-OAQYLSRUSA-N 359.473 5.088 0 1 FKAF COc1ccc2c(c1)[C@H](c1c(C)[nH]c3c(Cl)cccc13)N(C(C)C)CC2 962089370 ICOSJTUMWRNMNG-JOCHJYFZSA-N 368.908 5.494 0 1 FKAF Fc1ccc(Nc2nc(NCc3ccccc3)c3sccc3n2)cc1 1772574248 VPGJYVWZOPAYCM-UHFFFAOYSA-N 350.422 5.186 0 1 FKAF C[C@@H]1C[C@H](C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)CC(C)(C)C1 1857649417 QXUOVFNBNKFRES-MNOVXSKESA-N 370.440 5.716 0 1 FKAF CC[C@@H](C)CCCCCCCCCC=CCCC=CCCCC(=O)O 2356304382 DFIZOOFNWVUECB-JOCHJYFZSA-N 350.587 7.691 0 1 FKAF COc1cccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)c1 72119937 KAOBLCHOHKAJSL-UHFFFAOYSA-N 374.465 6.355 0 3 FKAF CCO[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)c2c1cc(C(C)C)c(OC)c2O 13302684 MGAOUXBZMKOBML-STSQHVNTSA-N 360.538 6.090 0 1 FKAF biogenic CCCC1(CCC)CC(=O)[C@H]([C@H](c2ccccc2)C2CCCC2)C(=O)O1 18100490 IKFCQUBSBRPKID-NHCUHLMSSA-N 356.506 5.432 0 1 FKAF Clc1ccc([C@H](Cc2ccccc2Cl)Cn2ccnc2)c(Cl)c1 33493879 QGBOGLBIJPUGGH-CQSZACIVSA-N 365.691 5.870 0 1 FKAF CCN(CC)CCCOc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1 40863883 DLJQPWBVDBULKI-UHFFFAOYSA-N 374.484 5.759 0 1 FKAF Cc1ccccc1OCc1nnc(-c2sc3ccccc3c2Cl)o1 49111922 LAHSOBXDRMMIFF-UHFFFAOYSA-N 356.834 5.492 0 1 FKAF O=C(N[C@@H](c1ccccc1)[C@H]1CCCC=C1c1ccccc1)C(F)(F)F 66129638 MIEXQAFUMNDJOH-OALUTQOASA-N 359.391 5.290 0 1 FKAF CCc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc1 103543723 PDJGCQKGBDBMCS-FQEVSTJZSA-N 353.462 5.009 0 1 FKAF CC[C@@]12C[C@](CC)(C=C1/C=C/c1ccccc1)C(=O)C[C@@H]2c1ccccc1 169298585 NLQQTNRSVHYIMW-JWBAGSCCSA-N 356.509 6.579 0 1 FKAF c1ccc(COc2cccc(Nc3ccnc4[nH]c5ccccc5c34)c2)cc1 169312100 KXFOQJAXINULOV-UHFFFAOYSA-N 365.436 6.039 0 1 FKAF Cc1ccc(-c2cc([C@@H](O)C[C@H]3CCCCN3)c3cc(C)cc(C)c3n2)cc1 169334606 HQCJBJGJAWODSX-YKSBVNFPSA-N 374.528 5.393 0 1 FKAF Cc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1Cl 587016560 XXXIYSLKOYOIIE-UHFFFAOYSA-N 360.269 5.969 0 1 FKAF Fc1cc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2cc1Br 587023651 NWSRGMFHMNSYME-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF c1ccc(Oc2ccc3nc(-c4ncsc4-c4ccccc4)[nH]c3c2)cc1 587027377 CSFNAPGOJBGADD-UHFFFAOYSA-N 369.449 6.146 0 1 FKAF N=C(N)c1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587051119 OPYBAKNDABZVMJ-UHFFFAOYSA-N 371.227 5.081 0 1 FKAF COc1cccc(-c2ccc(-c3nc4cc(C)c(F)cc4[nH]3)c(Cl)c2)c1 587052439 UFFGNEUYZPIEQJ-UHFFFAOYSA-N 366.823 6.006 0 1 FKAF FC(F)(F)Oc1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587053295 BQAYHFNEYVUTPM-DAXSKMNVSA-N 373.161 5.939 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@H]1CCCC[C@@H]1C4)-c1ccccc1C2=O 587101362 SMHSXGMICMFHRF-HZPDHXFCSA-N 353.465 5.660 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4c(F)c(F)c(F)c(F)c4[nH]3)C2)c1 587132001 ZLHKVRCGSNNELL-UHFFFAOYSA-N 356.269 5.001 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587154720 HDUNHPNTFXWDNJ-HXUWFJFHSA-N 362.404 6.024 0 1 FKAF Cc1ccc2c(c1)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348671 DTQAZGFFFFRJNT-LADGPHEKSA-N 374.411 5.040 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2CC[C@@H]3C(=O)C2)c1 587365121 FBJHAKPRUCLIHR-GOEBONIOSA-N 369.420 5.590 0 1 FKAF COc1cc2c3c(c1)OC1(CCC(c4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O 587421165 KMNCBNPHQLINEA-PYGWLIJMSA-N 368.860 5.193 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OC(C)C)CC2=O 587463145 UYHGIUUFVSUGEW-FQEVSTJZSA-N 374.864 5.492 0 1 FKAF O=C1C[C@]2(CCCCc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 587510839 XCTRQCRSPJWAJM-QHCPKHFHSA-N 350.433 5.292 0 1 FKAF CC(C)=CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527498 XGDWMINGFYKLIQ-QHCPKHFHSA-N 362.469 5.617 0 1 FKAF CC(C)(C)C1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587605177 YDHFXTDIMLOPCW-HVWVKJRRSA-N 366.457 5.329 0 1 FKAF C(=C/c1nc2cc3c(cc2[nH]1)OCO3)\c1ccc(OCc2ccccc2)cc1 587785214 YULPPTYWWVRHEM-DHZHZOJOSA-N 370.408 5.041 0 1 FKAF Cc1cc2ncn(CCc3nc(-c4cccc(Cl)c4)cs3)c2cc1C 587920079 CVUBRWWCAXARJI-UHFFFAOYSA-N 367.905 5.673 0 1 FKAF CC/C(=C\c1nc2cc(Br)c(C)c(C)c2[nH]1)c1ccc(C)cc1 587965558 BSHUKRDKVYDYEO-XNTDXEJSSA-N 369.306 6.201 0 1 FKAF CCCOc1ccccc1[C@@H]1c2ccsc2CCN1Cc1ccco1 962707818 OREJTLXTEVGPMY-OAQYLSRUSA-N 353.487 5.278 0 1 FKAF C[C@H](C(F)(F)F)[C@]1(c2ccccc2)c2c(F)cccc2C[C@@H]2CCCN21 963097823 HSPDZDZMSIICOY-VHFSOBRXSA-N 363.398 5.288 0 1 FKAF Cc1ccc([C@]2(C(C)(C)C)c3c(F)cccc3C[C@H]3CCCN32)cc1C 963116974 YJYJKKHSLCUFQG-HYBUGGRVSA-N 351.509 5.753 0 1 FKAF Cc1ccc2nc(-c3ccc(F)cc3)cc(COCc3ccccc3)c2c1 1857595680 CJSWXKDQOWYGOQ-UHFFFAOYSA-N 357.428 6.066 0 1 FKAF COc1ccccc1-c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 1857765074 MNGOZUNVIHSRFP-UHFFFAOYSA-N 368.392 5.825 0 1 FKAF CSCn1c(CC=C(C)CCC=C(C)C)c(C)c(=O)c2ccccc21 2356415238 FCBIZSREMFDNPR-UHFFFAOYSA-N 355.547 5.866 0 1 FKAF CC(=CCc1cc(C(=O)O)ccc1O)CC[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C 2356462581 XTHUWDOULQJWNT-ZMPRRUGASA-N 358.478 5.001 0 1 FKAF CCC[C@@H]1C=C[C@@H]2CC(C)=CC[C@@H]2[C@@]1(C)C=C(C)C=CC=CC=CC(=O)O 2356718964 LRLMBKDNFKCUAP-AHCIIZGASA-N 366.545 6.651 0 1 FKAF CC[C@H](C)CCCCCCCCCCCCC[C@@H](O)CC1=CC(=O)OC1 2356800004 POQVWCOTAJKMEE-RBBKRZOGSA-N 366.586 6.338 0 1 FKAF CN1Cc2ccccc2[C@@H](c2ccccc2)N=C1CCc1ccc(Cl)cc1 3779575 ZMGJMFUZMUYSJM-XMMPIXPASA-N 374.915 5.906 0 1 FKAF Clc1cc2c(c(Cl)n1)[C@@H]1NCC[C@@H]1C[C@H]2Sc1ccccc1 13586635 FMAQHSMVAOOHGC-CKUKBARFSA-N 351.302 5.276 0 1 FKAF CC(C)(C)c1ccc(COCCC2CCN(Cc3ccccc3)CC2)cc1 13730153 ZSDRHKRYDSPJQZ-UHFFFAOYSA-N 365.561 5.803 0 1 FKAF CCCC(=O)c1cnc2c(CCCO)cccc2c1Nc1ccccc1C 13742229 GYWWGRQACQLMFB-UHFFFAOYSA-N 362.473 5.195 0 1 FKAF O=c1[nH]c2cc(Cl)ccc2c(NCc2ccccc2)c1-c1ccccc1 13761232 XXJCDWOBPANERJ-UHFFFAOYSA-N 360.844 5.461 0 1 FKAF Cc1noc(C)c1-c1ccc2ncnc(NCc3ccc(Cl)cc3)c2c1 13828571 OAGSNYRVFYNODW-UHFFFAOYSA-N 364.836 5.167 0 1 FKAF COc1cc(CCCCCCc2ccc3c(c2)OCO3)nc2ccccc12 14591319 XJXAZXGARODQBO-UHFFFAOYSA-N 363.457 5.318 0 1 FKAF biogenic CC(C)(C)c1ccc(Cc2ccc(CCCCCCC(=O)O)cc2)cc1 26948068 YSPIAEYCAOTWRO-UHFFFAOYSA-N 352.518 6.153 0 1 FKAF COc1ccc(CCc2c(Cl)cc(Cl)c(O)c2Cl)cc1Cl 28972584 IHJHSSFAWQOOTH-UHFFFAOYSA-N 366.071 5.800 0 1 FKAF biogenic Cc1cc(NC(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc2n1 35049721 HKBWOXBDEAYKGA-UHFFFAOYSA-N 361.323 5.086 0 1 FKAF O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1ccccc1-3 36350480 VKTWFDHUNCNXTL-UHFFFAOYSA-N 361.441 5.447 0 1 FKAF C[C@@H]([C@H]1CC=C2[C@@H]3CCC4=C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 40975612 JLDLXPZTQHZTBT-JYNQZMPESA-N 370.625 5.366 0 1 FKAF biogenic,in-vitro O[C@@H]1c2ccccc2C[C@@]1(Cc1ccccc1)C1=Cc2ccccc2CC1 71340480 VLHRUWJMZKYRCS-FTJBHMTQSA-N 352.477 5.535 0 1 FKAF Cc1ccc(N[C@H](c2ccccc2Cl)c2c(C)[nH]c3ccccc23)cc1 84616652 WGMLMTFVAKEION-HSZRJFAPSA-N 360.888 6.640 0 1 FKAF Cc1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1 103247872 QBYKGPDSZZURMK-UHFFFAOYSA-N 365.436 5.461 0 1 FKAF O=C(Nc1ccc(F)c(-c2nc3ncccc3o2)c1)c1cc2ccccc2o1 103271552 CZNXWUUVCWZELC-UHFFFAOYSA-N 373.343 5.027 0 1 FKAF Cc1nc(N[C@@H](C)c2cccc(F)c2)cc(-c2ccc3occ(C)c3c2)n1 142725730 JRDLJIFOVNZJFY-AWEZNQCLSA-N 361.420 5.819 0 1 FKAF O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3ccc(Cl)cc3S[C@H]12 169715417 OKJHKQXUWBHPHS-ZMZPIMSZSA-N 362.281 5.687 0 1 FKAF CC[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1cc(C)ccc1F 253977253 CCRXMTHZKHHYRR-DAVBRLECSA-N 363.476 5.436 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2O)nc(-c2ccccc2O)c1 299830712 PBQGXMIHQDTWFK-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF OCc1ccccc1-c1cccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 586895046 MQZYFQQBSNOBPX-UHFFFAOYSA-N 354.453 5.268 0 1 FKAF Cc1c(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905289 JDFMLSTXIWLVID-LBPRGKRZSA-N 370.758 5.173 0 1 FKAF Brc1cnc2[nH]c(-c3cccc(-c4ccsc4)c3)nc2c1 587025886 OWGAQSNRSVFJAQ-UHFFFAOYSA-N 356.248 5.116 0 1 FKAF Cc1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1Cl 587032670 MQFVCQOZEMMFTQ-UHFFFAOYSA-N 353.878 5.533 0 1 FKAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnn1C(C)C 587105354 ZHIIDPCEHGVKSZ-UHFFFAOYSA-N 353.425 5.199 0 1 FKAF FC(F)(F)Sc1ccc(/C=C/c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587125515 RFIXLJDVXXCFQM-KPKJPENVSA-N 374.431 6.224 0 1 FKAF O=C(Nc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1)c1ccc(F)cc1 587161997 AORTWSSQXAUMAW-UHFFFAOYSA-N 365.795 5.275 0 1 FKAF CC(C)C[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355516 VGLVTDQUNVZKJN-PNDGYVOYSA-N 368.448 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(O)c(C)c3)s1)O2 587410468 NHTVEXLGGGTXDZ-GOSISDBHSA-N 365.454 5.026 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c3ccc(Cl)cc13)CC2=O 587458586 AKTARQPXTBDPJV-LJQANCHMSA-N 369.848 5.494 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1c1ccc(Cl)cc1)CC2=O 587463602 WAZMPFOHRIIJLK-XMSQKQJNSA-N 370.876 5.670 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C2CCC2)cc1 587603814 RUDOYFYSFLWMAA-URXFXBBRSA-N 372.420 5.363 0 1 FKAF CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2ccc(F)c(Cl)c12 587628565 OHMTVBXANUZLFV-UHFFFAOYSA-N 366.219 5.381 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(Cc3ccc(Br)cc3)c2c1 587638726 JAZJQICKEZITKU-ZDUSSCGKSA-N 356.307 6.343 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C2CC2)N1 587817252 AUHISZTXKLVBHC-WYRIXSBYSA-N 360.270 5.089 0 1 FKAF CC(C)=CCC/C(C)=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821456 VDDZJNABHFXLAN-FZTGFJCWSA-N 366.318 5.856 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C)(C)[C@H]1CC[C@]2(C)C1 587830607 VMWPALSTKQDQDB-TYHFBIBGSA-N 366.318 5.164 0 1 FKAF CCC(=O)O[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]3CC[C@@]4(O)CC)[C@H]2CC1 606575968 ODOMHABFTBNARE-UHVGYQAZSA-N 360.538 5.022 0 1 FKAF biogenic Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3sccc3c2)n1 653750411 GOCOWKUKVBRCFI-HXUWFJFHSA-N 371.509 6.156 0 1 FKAF CCC[C@@H](c1ccccc1)[C@H]1c2ccsc2CCN1Cc1cccn1C 962398998 OXSDTMYFISLKNL-REWPJTCUSA-N 364.558 5.770 0 1 FKAF CC1([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)CCCCCC1 962624728 ANXPNGRSMYWPRR-UKILVPOCSA-N 374.572 5.835 0 1 FKAF O=C(Nc1ccc2sc(-c3ccc(F)cc3)nc2c1)N1CCCCC1 1772590227 BMKKUDQISPCVLJ-UHFFFAOYSA-N 355.438 5.120 0 1 FKAF CCCCCn1c(=O)oc2cc(C(=O)C34CC5CC(CC(C5)C3)C4)ccc21 1857616442 AUCQYZKPNJCIOR-UHFFFAOYSA-N 367.489 5.184 0 1 FKAF CC(C)=CCCC(C)=CCC[C@]1(C)C=Cc2c(O)cc(C)c(C=O)c2O1 2356855333 RCHWWARHYWHVOJ-HSZRJFAPSA-N 354.490 6.150 0 1 FKAF CCCCC(=O)N(Cc1ccc(-c2ccccc2CO)cc1)c1ccccc1 2382252774 QJHPTZBAXQZOSF-UHFFFAOYSA-N 373.496 5.569 0 1 FKAF CCCC1CCC2(CC1)CC[C@@H]2OC(=S)Nc1ccc(N(C)C)cc1 205704606 XEBHGJKHWOHIJC-BSLVTKGXSA-N 360.567 5.605 0 3 FKAF CCCCC(C)(C)[C@H](O)c1cccc(OCc2cccc(C(=O)OC)c2)c1 25985051 BBZMOSMKOMFEJR-OAQYLSRUSA-N 370.489 5.302 0 1 FKAF CSc1ccc(-c2nc(-c3cccc(F)c3)c(-c3ccncc3)[nH]2)cc1 27309139 QNNDHEPNDQDTBC-UHFFFAOYSA-N 361.445 5.667 0 1 FKAF CCc1cccc(NC(=N)Nc2cc(CC)cc(CC)c2Br)c1 27425085 MPPUPBJREIRGHZ-UHFFFAOYSA-N 374.326 5.595 0 1 FKAF CCCCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccco1 28225309 HGFZMICKVPUFDH-UHFFFAOYSA-N 359.809 5.141 0 1 FKAF CCCCCOC(=O)[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1 28757437 CVFZEEPNRYAKLM-LEWJYISDSA-N 356.462 5.109 0 1 FKAF CC[C@H](c1ccc(O)c(COC)c1)[C@H](CC)c1ccc(O)c(COC)c1 40466731 HODIECUQIMNXPH-WOJBJXKFSA-N 358.478 5.078 0 1 FKAF CCCO[C@@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1ccnc1 45337670 ASCCFFNEODFVAH-IRXDYDNUSA-N 352.931 5.735 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1Cl)[C@@H](OC(C)(C)C)n1cnc(C)c1 45358547 MPJAQRAQTLCSOF-DLBZAZTESA-N 371.308 5.590 0 1 FKAF FC(F)(F)c1ccc(Nc2nccc(-c3cnc4ccccc4c3)n2)cc1 49033764 AYQXXWRYLGZZSD-UHFFFAOYSA-N 366.346 5.454 0 1 FKAF CCN(CC)Cc1ccc(OCCCCCCCCN2CCCC2)cc1 49036090 ZAAFUWUASIUWDU-UHFFFAOYSA-N 360.586 5.344 0 1 FKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 80341562 JUAATDNYHZEPLN-ZAZLRJHESA-N 358.522 5.086 0 1 FKAF biogenic Cc1cc(Oc2cccc(Cn3cnc4ccccc43)c2)cc(C)c1Cl 95581041 JMZUPSXTIXFRPH-UHFFFAOYSA-N 362.860 6.147 0 1 FKAF Cc1ccc(C(SCCN)(c2ccccc2)c2ccccc2)c(F)c1 95584184 IRTRVUMXVOKGFY-UHFFFAOYSA-N 351.490 5.118 0 1 FKAF CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1 95909416 ZTNBSFMIFOLVCM-QAKNPMBRSA-N 359.598 5.531 0 1 FKAF biogenic,in-vitro O=c1cc(-c2ccccc2)oc(O)c1[C@@H](CC1CC1)SC1CCCC1 100987787 QEXGTYFMYOSCBX-LJQANCHMSA-N 356.487 5.529 0 1 FKAF CC(C)[C@H]1C(O)=C(c2ccc3ccccc3c2)C(=O)N1Cc1ccsc1 101731921 SGTDVYJWFFKLLN-FQEVSTJZSA-N 363.482 5.237 0 1 FKAF Cc1cc(-c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)ccn1 103290219 LGBXCUAQHIUOHM-UHFFFAOYSA-N 357.240 5.616 0 1 FKAF CC[C@@]12CCCN(Cc3ccccc3)[C@H]1c1c(n(C)c3ccccc13)CC2 105503669 AYTQCCBUFYJHMJ-DQEYMECFSA-N 358.529 5.858 0 1 FKAF OCc1ccccc1-c1cccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 586894969 IQPIQRMAZUXRHZ-UHFFFAOYSA-N 368.358 5.408 0 1 FKAF Cc1c(-c2cccc(F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989002 VWKMTTQQORISJB-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4cc(C)c(F)cc4[nH]3)c2o1 587002554 BHGBVIVTOATLQG-UHFFFAOYSA-N 359.198 5.495 0 1 FKAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)s1 587014915 UGMXJERHLFSBHR-SSDOTTSWSA-N 357.813 5.024 0 1 FKAF FC(F)(F)c1cnc2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c1 587075394 CNGFBWAFRXACIE-UHFFFAOYSA-N 374.753 5.359 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1 587086229 XZLLYPRALVUTMG-UHFFFAOYSA-N 365.717 5.589 0 1 FKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1C 587097280 KPQPULQSAMBYSJ-UHFFFAOYSA-N 365.432 5.739 0 1 FKAF Cc1c(Cl)ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587164528 UCFMBYKHSUKYQB-PTNGSMBKSA-N 368.864 6.314 0 1 FKAF Cc1ccc(C)c2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc12 587189930 FHXOSOXBMNRELH-LJQANCHMSA-N 365.477 5.136 0 1 FKAF CCCC[C@@H](CC)c1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366087 RCYXUIVBDIGFHN-QGZVFWFLSA-N 373.496 7.340 0 1 FKAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(C(C)(C)C)[C@@H](C2)C3=O 587422319 YFLPGIMSTWONRC-KKSFZXQISA-N 356.849 5.038 0 1 FKAF CCCOc1ccc(CC)cc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587476729 AMLHQKKEJPEJKS-JOCHJYFZSA-N 368.473 5.402 0 1 FKAF C[C@@]1(c2cccc(C3CCC3)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587500988 FFCCWRXEGUEYMS-DEOSSOPVSA-N 364.460 5.853 0 1 FKAF O=C1C[C@@H](c2cc3ccccc3nc2Cl)Oc2c1ccc1c2CCCC1 587501079 QTIQPWZOVMKISZ-FQEVSTJZSA-N 363.844 5.474 0 1 FKAF Cc1ccc(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587524736 MMMFMWGPULVWFF-VWLOTQADSA-N 368.476 6.247 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C1CCCCC1)C1CC1 587604072 ULUFHJBCHPZBKJ-OFNKIYASSA-N 364.441 5.083 0 1 FKAF C[C@@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 587627919 FSGODYOAMXJUOS-MRVPVSSYSA-N 352.192 5.469 0 1 FKAF Fc1ccc2[nH]c(-c3ccccn3)c(-c3ccc(Cl)cc3)c2c1Cl 587628871 SMEKCLRBYUTYIT-UHFFFAOYSA-N 357.215 6.343 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H]2C[C@H]3CC[C@H]2C3)N1 587816660 ZOTFBJOAVLLAKV-SODNPDMKSA-N 366.318 5.164 0 1 FKAF CC(C)(C)c1ccc(OCc2nc(-c3cc(F)ccc3F)cs2)cc1 587922757 ZSVRSQPDHMFHBT-UHFFFAOYSA-N 359.441 5.965 0 1 FKAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc3nc(C)ccc3c2[nH]1 587936135 ZOZUMOQLVDOAEN-UHFFFAOYSA-N 355.441 5.000 0 1 FKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C=C3CCC3)[nH]c12 587965164 OXFGFRVPENTPFN-UHFFFAOYSA-N 371.362 5.401 0 1 FKAF CCC(C)(C)c1ccc2oc(-c3cn4nc(SC)sc4n3)nc2c1 653753152 KSTGAOWRWUIRNJ-UHFFFAOYSA-N 358.492 5.009 0 1 FKAF COc1ccc(-c2cc(-c3csc(Nc4ccc(C)cc4)n3)on2)cc1 1772587760 VAIIOBKRLSSFRX-UHFFFAOYSA-N 363.442 5.526 0 1 FKAF Cc1cc(C)c(-c2cc3c(N[C@H](C)c4ccccc4)ncnc3s2)c(C)c1 1857629948 CROONVWLPWZSFF-QGZVFWFLSA-N 373.525 6.457 0 1 FKAF CCC=CCC=CCC=CCCCCCCCc1cccc(O)c1C(=O)O 2356389208 MBYMHCHZLAJVRK-UHFFFAOYSA-N 370.533 6.832 0 1 FKAF CC(=CCC[C@]1(C)CCc2cc(O)cc(C)c2O1)CCC[C@@H](C)C(=O)O 2356588619 BYBSVSPLZOCDCC-OPAMFIHVSA-N 360.494 5.402 0 1 FKAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC=C2c3ccc4ccccc4c3CC[C@]21C 2356711006 DBRICIKZTYJLQL-FJOYJDABSA-N 358.569 7.680 0 1 FKAF COc1ccc([C@@H]2Oc3ccc(Br)cc3-c3ccccc32)cc1 2382219683 KEQFRHIWZYTDKZ-FQEVSTJZSA-N 367.242 5.607 0 1 FKAF CN(C)CCCN1c2ccc(Cl)cc2Sc2cc(Cl)ccc21 2382257570 CSDQIWIUFLHRGN-UHFFFAOYSA-N 353.318 5.548 0 1 FKAF Cc1cc(C)c([C@@H](CCCCCC(=O)O)c2ccc(F)cc2)c(O)c1C 13456321 ZSYKLVFCMFCQHN-IBGZPJMESA-N 358.453 5.624 0 1 FKAF COc1ccc2c(c1)CC[C@@H](Cc1ccccc1/C=C/c1ccccc1)C2=O 64417420 CGRPSFDTHSHQFF-RGPPVUSESA-N 368.476 5.853 0 1 FKAF O=NN1[C@H](c2ccccc2)CC(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 72171799 FBRWNHRLJWXKFA-WWNPGLIZSA-N 356.425 5.209 0 1 FKAF c1cnc2nc(Oc3ccc4c(CN5CCCCC5)coc4c3)sc2c1 95595717 JIUIVSNALYIYDF-UHFFFAOYSA-N 365.458 5.216 0 1 FKAF C[C@@H](CCCN(C)C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 169343256 UXALZDQQEPFNDH-CVEARBPZSA-N 357.538 5.582 0 1 FKAF CC(=O)OC/C=C(/C)CC/C=C(/CC/C=C(\C)CCC=C(C)C)C(=O)O 238765950 VJGVQGIETYWOJI-ZOLRCDAZSA-N 362.510 5.760 0 1 FKAF Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(C(=O)O)c2n1 473092826 SNGNUSOBWBQFLX-UHFFFAOYSA-N 361.228 5.160 0 1 FKAF CCCc1c(-c2ccccn2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988007 KKPFGXAKRQUPJA-UHFFFAOYSA-N 366.420 5.166 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]1CCCC[C@@H]1C3 586989884 GNWVAKPUBPYZRI-ZIAGYGMSSA-N 355.437 5.057 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2cc(Cl)c(Cl)nc2[nH]1 587066836 SHOKZUIRWVBDJY-UHFFFAOYSA-N 370.667 5.238 0 1 FKAF CC(C)Oc1cc2nc(C3(F)CCCCC3)[nH]c2cc1Br 587131251 AIAXLSRKJCIBAN-UHFFFAOYSA-N 355.251 5.242 0 1 FKAF Fc1ccc(/C=C(\c2nc3ccc(Cl)cc3[nH]2)c2cccs2)cc1 587163878 MMRXJJFESPHOPM-GDNBJRDFSA-N 354.837 6.006 0 1 FKAF Clc1ccccc1Cc1c(-c2ccccc2)nc2cccc3c2c1CC3 587208824 BPJXBEVNMUKMHL-UHFFFAOYSA-N 355.868 6.245 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587245350 WFXIPBJDAYRSOP-UHFFFAOYSA-N 369.468 5.780 0 1 FKAF Cc1cc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587352727 MBJOLOKICGEQRB-KNQAVFIVSA-N 366.388 5.015 0 1 FKAF CC/C(C)=C(/N)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587362047 DXBWIXRJUGYWHU-RCCKNPSSSA-N 372.468 5.842 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@@H](C(C)(C)C)CC(C)C[C@@H]1C(C)(C)C 587404004 CBNXZRSOKPGUAB-BIFUMSCLSA-N 371.565 6.036 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC(C)(C)C)cc1)CC2=O 587482764 JFUDDZHEAWYZRS-QHCPKHFHSA-N 368.473 5.403 0 1 FKAF Cc1cc([C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587507748 SCZVOHBHRLIEMB-HSZRJFAPSA-N 350.433 5.284 0 1 FKAF CCC[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602558 JZNOKCMVJUSRQJ-QPPBQGQZSA-N 374.436 5.135 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(Cc3ccccc3Br)c(C)c2c1 587638223 DGMBCTXTRJMOEY-CYBMUJFWSA-N 356.307 6.343 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c([C@@](C)(O)C(F)(F)F)c2c1 587641283 MECPMQVURQPXQT-RMLUDKJBSA-N 353.306 5.470 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](C)CC(C)(C)C2)N1 587818401 CYJSEHWULDWXOE-SOZUMNATSA-N 354.307 5.164 0 1 FKAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 587935721 URIWBGSORXEUHY-UHFFFAOYSA-N 360.791 5.075 0 1 FKAF Cc1nc(C2CC2)sc1[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21 963115048 YYMRKJHQEUUAJE-KRWDZBQOSA-N 353.318 5.045 0 1 FKAF CC1(C)CC(C)(C)c2cc(NC(=S)Nc3ccccc3)ccc2S1 1857561481 RXBIVXQTSZAJMO-UHFFFAOYSA-N 356.560 6.048 0 1 FKAF C=C1C(c2ccc(Br)cc2)=CC(=O)N1c1ccc(Cl)cc1 1857572465 AGPGTEMUDAKXJH-UHFFFAOYSA-N 360.638 5.046 0 1 FKAF CCCNc1nc(-c2cc(-c3ccc(Cl)cc3)on2)cc(C(C)C)n1 13660283 YABDWOJOPSYVJX-UHFFFAOYSA-N 356.857 5.397 0 3 FKAF CCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n1[C@H](CC)C1CC1 2005781 ZFEOFCQPJMXUNV-QGZVFWFLSA-N 374.315 6.329 0 1 FKAF CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccn4)[nH]3)ccc21 13490277 CHEAQHKAGNKJME-UHFFFAOYSA-N 352.441 5.575 0 1 FKAF C1=C(c2ccccc2)CCN(CCCCCCc2c[nH]c3ccccc23)C1 13728580 IAKOYHDOZKAROP-UHFFFAOYSA-N 358.529 6.060 0 1 FKAF C[C@]12CCc3c(ccc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CCC2=O 14451022 VVFAWJYXSMMTEE-DHLKQENFSA-N 370.448 5.458 0 1 FKAF biogenic CC1=CC[C@H]2[C@H](C1)c1c(O)cc([C@H](C)[C@@H](C)C3CCCC3)cc1OC2(C)C 26671960 USDMFBBEDJJVQK-JYWFKMLOSA-N 368.561 6.933 0 1 FKAF CCCCCC1=CC(O)=C2[C@@H]3C=C(C)C=C[C@H]3C(C)(C)O[C@]2(C(=O)O)C1 33903085 YZGCYNMNFASAOK-DRSNIGMVSA-N 358.478 5.090 0 1 FKAF biogenic CC(C)C(=O)c1ccc2c(c1)/C(=C\[C@H](C)CN(C)C)c1ccccc1S2 40511625 GKZBVRLWQPIFCM-JJBLJPBOSA-N 365.542 5.619 0 1 FKAF CC(C)=CCC/C(C)=C/Cc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O 49046738 JKTKEYDAQOHUFQ-OBOBVVSZSA-N 364.485 6.209 0 1 FKAF CSc1ccc(-c2cc(C[C@@H]3CCCC3=O)ccc2[C@H](C)C(=O)O)cc1 72107433 SRAWWXJGKORRCF-YOEHRIQHSA-N 368.498 5.175 0 1 FKAF Cc1ccc(-c2nc3c(C)cccn3c2[C@@H]2CC(c3cccs3)=NN2)cc1 95586568 ZJNNPUBWVBTYAB-SFHVURJKSA-N 372.497 5.118 0 1 FKAF CC[C@@H]1O[C@@H]2[C@@H](OCc3ccccc3F)[C@@H](CC)O[C@@H]2c2ccccc21 103280206 ZUIHWROEKOMNDU-MNVIUDHYSA-N 356.437 5.111 0 1 FKAF Clc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1 143160536 UPEJCLCLSGLFGB-UHFFFAOYSA-N 371.831 5.570 0 1 FKAF CCOCCCCN[C@@H](CC(C)C)C1(c2ccc(SC)cc2)CCC1 207603103 OZMCXSBQOWTTBK-NRFANRHFSA-N 363.611 5.651 0 1 FKAF CC1(C)C2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(C)O)[C@]2(C)Cc2cnoc21 256279065 AXLOCHLTNQDFFS-QQFZHUFJSA-N 355.522 5.038 0 1 FKAF in-vivo FC(F)(F)c1cc(Cl)c2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586884205 OVSMSDIWULJXAH-OXKORPGDSA-N 354.803 5.703 0 1 FKAF FC(F)(F)c1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Cl 586885700 NJZHWGQIFHHQME-SCLBCKFNSA-N 362.782 5.607 0 1 FKAF Cc1ccc2c3c(cc(C(C)(C)Br)nc13)-c1ccccc1C2=O 586993295 JMLOJHJDECMQPW-UHFFFAOYSA-N 366.258 5.385 0 1 FKAF Fc1cc2[nH]c(-c3ncsc3-c3ccccc3)nc2cc1C(F)(F)F 587028133 OOTORMBOEZUWNX-UHFFFAOYSA-N 363.339 5.511 0 1 FKAF Clc1ccc(-c2cnccc2-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 587073270 AGDQAWRAHCRNPF-UHFFFAOYSA-N 374.658 6.252 0 1 FKAF C[C@@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)n1cc(Cl)cn1 587081905 IIFYGQSWMUHDCY-LBPRGKRZSA-N 354.866 5.173 0 1 FKAF FC(F)(F)Sc1ccc(/C=C\c2nc3cc(Cl)cnc3[nH]2)cc1 587125810 RZNMKSBOQUYAJN-UTCJRWHESA-N 355.772 5.394 0 1 FKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1 587150859 UAEOKLYAWJMGCY-OAHLLOKOSA-N 370.790 5.091 0 1 FKAF Fc1cc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1C(F)(F)F 587151991 JJAQKLALKACQSO-BDAKNGLRSA-N 356.269 5.270 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cc(Br)cnc3[nH]2)c1 587152911 HIUWUPMZAYYGAG-UHFFFAOYSA-N 368.209 5.194 0 1 FKAF Cc1c(-c2nc3cccc(C(F)(F)F)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165700 JTDUAXARADLXOD-UHFFFAOYSA-N 373.353 5.702 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 587240693 OSGDMJCQHLNRPZ-UHFFFAOYSA-N 372.472 5.675 0 1 FKAF CC[C@H](C)C[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354100 MVHQNEPAHLUHFX-OTPBECDQSA-N 356.437 5.475 0 1 FKAF CC(C)[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356002 XSKGVQPYZFLDEJ-FQQGMQMYSA-N 368.448 5.475 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(Cl)cc1)CC2=O 587462684 PYQVSUXVLNRXMZ-OAQYLSRUSA-N 358.865 5.355 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(C)c(C)cc3o1)CC2=O 587479745 IWETUGFQTITQAL-NRFANRHFSA-N 350.414 5.414 0 1 FKAF CCCOc1c(C)cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1C 587482474 OKHWKXGMPLKUQU-OAQYLSRUSA-N 368.473 5.457 0 1 FKAF C[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587506951 ZKDPUBONLRMZEW-FQEVSTJZSA-N 371.274 5.209 0 1 FKAF CCCC[C@H](CC)C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604565 WUXWGGZRVYPWID-RYGJVYDSSA-N 354.446 5.329 0 1 FKAF CCOC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(F)ccc12 587634367 WKXZRRFSYKVFSJ-UHFFFAOYSA-N 351.299 5.170 0 1 FKAF CCOC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc([C@@H](C)CC)cc12 587640555 FOQNKYBEKYAXQV-HNNXBMFYSA-N 367.464 5.983 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(CCCN3C(=O)c4ccccc4C3=O)c2c1 587643852 XUIWCTKPPJKMHW-OAHLLOKOSA-N 374.484 5.219 0 1 FKAF CCc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783559 CIACVXSSOUJGNH-PTNGSMBKSA-N 354.453 5.875 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H]2C[C@H]3CC[C@H]2C3)N1 587816498 YXNSAJIUFCFYNB-SODNPDMKSA-N 366.318 5.164 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)c3ccccc32)N1 587819125 GTPVWIVLMBCNAZ-MPBGBICISA-N 374.297 5.047 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3CCCC[C@H]32)N1 587820389 ABYWZBHHURUGGD-FCIKYMEBSA-N 366.318 5.308 0 1 FKAF CC(C)=CCC[C@H](C)C[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820932 RJCSXVAHAWKDLS-GRDNDAEWSA-N 368.334 5.936 0 1 FKAF C/C(=C\c1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821799 XTVFKNIAJYRVLV-KDBSLXKCSA-N 360.270 5.267 0 1 FKAF COc1ccc2c(c1)C[C@H](c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)CC2 587938454 XQFLFUKFEFDPMK-LLVKDONJSA-N 364.342 5.002 0 1 FKAF Clc1cc(Br)c2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2c1 587960048 NRWOLIZWSZSSJQ-AAEUAGOBSA-N 361.670 5.325 0 1 FKAF CCOCc1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)ccc1OC 962658239 CLBZMAHKVLRGIS-VWLOTQADSA-N 373.496 5.134 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2c(Cl)[nH]c3ccccc23)N1 962945890 HGIRAHKLEJWTEJ-XMHCIUCPSA-N 363.892 5.490 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(Cc2cc(Cl)cc(Cl)c2)N1 962949497 FWFSBMZKJQXWGQ-IERDGZPVSA-N 373.327 5.857 0 1 FKAF CCCCCC1=CC(O)=C2[C@@H]3C=C(C)C=C[C@@H]3C(C)(C)O[C@@]2(C(=O)O)C1 2356338500 YZGCYNMNFASAOK-JLHGSKIFSA-N 358.478 5.090 0 1 FKAF CO[C@](C)(CCC=C(C)Cc1cc(C)co1)[C@@H]1Cc2cc(O)c(C)cc2O1 2356730101 GSAYAGNITKAJHN-XZOQPEGZSA-N 370.489 5.280 0 1 FKAF CC(=O)c1cccc(-c2ccc3c(c2)[C@](C)(Cc2ccccc2F)C(=O)N3)c1 61926469 YNTLJIMWIJPPND-DEOSSOPVSA-N 373.427 5.148 0 3 FKAF FC(F)(F)Oc1cccc(Nc2cc3[nH]c(-c4ccccc4)cc3cn2)c1 205206839 OEDJYSCTSWWVNT-UHFFFAOYSA-N 369.346 5.872 0 3 FKAF Fc1cccc(-c2cc3cnc(Nc4ccc(C(F)(F)F)cc4)cc3[nH]2)c1 206017193 YGVUIBDGGIJYDY-UHFFFAOYSA-N 371.337 6.131 0 3 FKAF Cc1ccc(Nc2nc(-c3cc(-c4ccc(Cl)cc4)no3)cs2)nc1 13141388 PCWUSSSOCWRREH-UHFFFAOYSA-N 368.849 5.566 0 1 FKAF CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1 13474619 XIWRCSVXKPGGAJ-UHFFFAOYSA-N 368.868 5.467 0 1 FKAF COc1c(O)c(C(C)=O)c(OCc2ccc(C(C)(C)C)cc2)c2ccoc12 13682310 ORHSBRGJHWPZKG-UHFFFAOYSA-N 368.429 5.226 0 1 FKAF O=c1oc(-c2ccccc2)cc(O)c1[C@@H](SC1CCCC1)C1CCCC1 13740590 ZLYKUIUJEAYAOR-NRFANRHFSA-N 370.514 5.920 0 1 FKAF CCCCN1CN(CCCC)[C@@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 27884305 WDJZHIZFCHPNHV-GOTSBHOMSA-N 368.521 5.056 0 1 FKAF CC[C@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)OC(C)C)c[nH]c1=S 28355537 VIKJUBIPQBLPFB-CYBMUJFWSA-N 373.305 5.417 0 1 FKAF O=C(Nc1ccc(Cl)cc1)[C@@H](Oc1cccc2ccccc12)C1CC1 42922370 GCKVPTPQJRLQIO-FQEVSTJZSA-N 351.833 5.289 0 1 FKAF Nc1nc(-c2ccc3c(Nc4ccc(F)c(Cl)c4)ccnc3c2)cs1 45168470 BOZMEPWADXXDBO-UHFFFAOYSA-N 370.840 5.477 0 1 FKAF CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(O)c(F)c1)N2 49017356 VIKMOIOVJVDVQY-JHVJFLLYSA-N 355.453 5.463 0 1 FKAF C[C@]1(c2ccccc2)CCN(c2cccc(-c3cccc(F)c3)c2)C(=O)O1 72118690 SFOFGISPBWRXTM-HSZRJFAPSA-N 361.416 5.755 0 1 FKAF CC(C)N(C)C(=O)c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1 84688845 HCGSVDDWFMEOGP-UHFFFAOYSA-N 374.271 5.084 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 586898334 HABHYAWISMDLMN-UHFFFAOYSA-N 354.331 5.621 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(Cl)nc4)nc13)-c1ccccc1C2=O 586993748 QZDCEWUUMUEXPM-UHFFFAOYSA-N 356.812 5.470 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC[C@@H](C(F)F)C4)-c1ccccc1C2=O 586995494 LGWCAGOMIYGZSK-CYBMUJFWSA-N 363.407 5.515 0 1 FKAF Fc1cc2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2cc1-n1cccn1 587073927 NVWGDQAFAPRPRT-UHFFFAOYSA-N 366.827 5.011 0 1 FKAF Cc1ccc2c3c(cc([C@@H]4CC5CCC4CC5)nc13)-c1ccccc1C2=O 587099813 VAZZRRXVMGEMND-ALLBUHFWSA-N 353.465 6.048 0 1 FKAF CCc1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 587129425 JUFALHATOBYKHP-SSDOTTSWSA-N 374.769 5.460 0 1 FKAF COc1c(F)ccc(F)c1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587132673 IPXKLDYOKBHAGQ-UHFFFAOYSA-N 366.367 5.096 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCC3CCCCC3)c1)O2 587401793 YNJHMSUAIDXWOQ-QFIPXVFZSA-N 365.473 5.243 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)[nH]c3ccccc13)CC2=O 587460692 IVGGJMIRICNHPR-OAQYLSRUSA-N 369.848 5.360 0 1 FKAF CCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601725 GTKYJCUOECPLEH-REWPJTCUSA-N 360.409 5.049 0 1 FKAF O=C(c1c(-c2ccccc2)[nH]c2cc(F)ccc12)C(F)(F)Br 587633964 QYEVDKOABGYAKE-UHFFFAOYSA-N 368.152 5.144 0 1 FKAF COc1ccc(-c2[nH]c3cccc(F)c3c2-c2ccc3ccccc3n2)cc1 587636880 NJUPPOJVYHSCGI-UHFFFAOYSA-N 368.411 6.198 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC2CCCCC2)N1 587813549 OTEYCMRUHHIRHH-YJYMSZOUSA-N 368.334 5.698 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C)(C)[C@@H]1CC[C@@]2(C)C1 587818668 SEQOBEOBZDGNJR-CLWWGOANSA-N 366.318 5.164 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCC(C)(C)C2)N1 587819186 HGSBZKKPJOWTHR-BWACUDIHSA-N 354.307 5.380 0 1 FKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(C3CCCC3)n2)cc1 587922429 CSRJGJVXPLMNGL-UHFFFAOYSA-N 362.473 6.755 0 1 FKAF Cc1ccc(Nc2nccc(-c3ccc(Oc4ccccc4N)cc3)n2)cc1 1772574718 OPNRETQAGHCHRC-UHFFFAOYSA-N 368.440 5.570 0 1 FKAF NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 1857545069 IQOUXBLJAMHPRE-UHFFFAOYSA-N 356.469 5.155 0 1 FKAF N=C1Nc2c(sc3ccc(Cl)cc23)[C@@H](c2ccc3ccccc3c2)N1 1857568325 WGJNNLULZSUERS-QGZVFWFLSA-N 363.873 5.747 0 1 FKAF Oc1ccc2c(c1)oc1c(-c3ccccc3O)cc(-c3ccccc3)nc12 1857644750 XVVJXLRDXBEIAV-UHFFFAOYSA-N 353.377 5.726 0 1 FKAF Cc1ccc(NC(=S)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 1857654794 OFDBEOOYSSDBLH-UHFFFAOYSA-N 373.481 5.921 0 1 FKAF C[C@]12CC[C@@H]3c4cc(-c5cccc(O)c5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O 1857755832 NKBXTGGLMSZITD-QNJCZANYSA-N 362.469 5.190 0 1 FKAF COc1cc(CC=C(C)CC[C@]2(C)C(C)=CCC[C@H]2C)c(O)c(OC)c1 2356391635 WFPNAXCDJWECFJ-WZONZLPQSA-N 358.522 6.061 0 1 FKAF C[C@]12C=C(/C=C/CCc3ccco3)[C@](C)(C1)[C@@H](CCc1ccco1)CC2=O 13783095 HSYVZZKTEPXIFY-AMWJGJQWSA-N 364.485 5.926 0 1 FKAF CC1=CCCC(C)(C)[C@@H]1CC/C(C)=C/CC[C@@H](CO)CCCc1ccoc1 14515592 UJVZMYQCMKGVLL-ZBXPLHHRSA-N 372.593 7.100 0 1 FKAF in-vivo CSc1ccc2c(Cc3ccc(Cl)cc3)ccc([C@H](C)C(=O)O)c2c1 26648838 BNUPVYGGLHTBCE-ZDUSSCGKSA-N 370.901 5.994 0 1 FKAF COc1ccc([C@@H](CC2CCCCC2)Nc2nc3ccccc3o2)cc1 28008139 NHBJAXOZABMWCC-HXUWFJFHSA-N 350.462 5.960 0 1 FKAF C/C=C(\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)n1ccnc1 28766369 ZVFQEULPCBDSHC-LPRJTOQXSA-N 359.256 5.678 0 1 FKAF Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cc2c1C(=O)O 29333185 ZCJHQHVBTILFOK-UHFFFAOYSA-N 373.839 6.229 0 1 FKAF N=C(N)c1cc2cc(-c3cccc(OCc4ccccc4)c3)ccc2s1 45365658 HCMFEDPYXOWDMW-UHFFFAOYSA-N 358.466 5.431 0 1 FKAF in-vivo Cc1cc([C@H](C)Nc2ccccc2)c2oc(-c3ccncc3)cc(=O)c2c1 51768840 BWCHMAXKQWYVNL-INIZCTEOSA-N 356.425 5.337 0 1 FKAF CCCCc1ccc(-c2cc(N[C@H](C)CCCN(CC)CC)ncn2)cc1 82161801 OWJYCBOEJMHPAT-LJQANCHMSA-N 368.569 5.409 0 1 FKAF Clc1ccc(COC2(c3ccccc3)C[C@H]3CC[C@H](C2)N3)cc1Cl 101300584 RVSLPYXAWKWRCQ-IAGOWNOFSA-N 362.300 5.320 0 1 FKAF CO[C@]1(C)C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247439 WDDAUXZTXKAGOH-URHAGFEASA-N 365.492 6.132 0 1 FKAF CCC(=O)C(CCCCCCOc1ccc(F)cc1Cl)C(=O)CC 138195419 BOSAETRIXCCQQN-UHFFFAOYSA-N 356.865 5.383 0 1 FKAF Cc1ccc(-n2c(O)c(-c3ccccc3)n(-c3ccc(C)cc3)c2=S)cc1 169719332 MLYDGRHRYQHKAO-UHFFFAOYSA-N 372.493 5.987 0 1 FKAF CNc1nnc(-c2ccc3[nH]cc(-c4cccc(C(F)(F)F)c4)c3c2)s1 204765361 IEBMTQSTXNRKFC-UHFFFAOYSA-N 374.391 5.414 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1c(Cl)cccc1C4)-c1ccccc1C2=O 586992538 HAPANUIUMJSCPG-UHFFFAOYSA-N 367.835 5.979 0 1 FKAF Cc1c(Br)ccc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587028033 MXMWFCROBRVAQQ-UHFFFAOYSA-N 370.275 5.424 0 1 FKAF Clc1cc(Br)cc2[nH]c(-c3cc4c(s3)CCC4)nc12 587034615 VOURZQGKYDJLNX-UHFFFAOYSA-N 353.672 5.196 0 1 FKAF FC(F)(F)Sc1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587080240 LKMMTJWAPPRIBI-AWEZNQCLSA-N 370.783 5.504 0 1 FKAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCC[C@@H](C(F)(F)F)C1)CC2=O 587463991 FVERMHOCPMCTMK-JKDFXYPNSA-N 356.384 5.047 0 1 FKAF CCCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1CC 587481475 MRWCULUNRLTITL-JOCHJYFZSA-N 368.473 5.402 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccncc3)cc2F)Oc2c1ccc1c2CCCC1 587507809 TUVDOVBLMCNRLD-QHCPKHFHSA-N 373.427 5.473 0 1 FKAF O=C1C[C@H](c2cccc(N3CCCCC3)c2)Oc2c1ccc1c2CCCC1 587513887 LPQDPKLDTMVBPH-HSZRJFAPSA-N 361.485 5.262 0 1 FKAF CCCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2c(C)cc(Cl)cc12 587624938 WMWNFOYCKTZHBI-UHFFFAOYSA-N 367.798 6.648 0 1 FKAF Cc1ccc2c(c1)[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587818392 RIIYOQSIYZVLSQ-RBZFPXEDSA-N 374.297 5.011 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@@]2(C)C3(C)C)N1 587819644 WFUHHOGLPLTXBI-VWMXILOASA-N 366.318 5.164 0 1 FKAF O=C(CCCCCc1ccccc1)c1nc2ccc(Br)cc2o1 653687970 AIHGZWRWDMEFLN-UHFFFAOYSA-N 372.262 5.576 0 1 FKAF C[C@@H](CCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1 1772655598 RAMFIOJMESQEOK-NRFANRHFSA-N 357.541 6.288 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@@H](O)C[C@@H]1CC3 2356392240 VJUBACISBRYKMB-FAMNHNKASA-N 370.621 6.919 0 1 FKAF CCCCCC=CCCCCCCCCCCCCCCCC(=O)O 2356662745 FIBGZVSOAZMXHT-UHFFFAOYSA-N 352.603 8.059 0 1 FKAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1COC 603494 BCKUPNORJPMZGO-UHFFFAOYSA-N 364.445 5.116 0 1 FKAF Cc1[nH]c(=S)n(Nc2cccc(Cl)c2)c1-c1cccc(Cl)c1 1491560 JDPZIBBRJGFXQO-UHFFFAOYSA-N 350.274 5.703 0 1 FKAF Clc1ccc2c(NCCCCCCCCN3CCCCC3)ccnc2c1 13472669 HOHHBBVPNOOKBH-UHFFFAOYSA-N 373.972 6.127 0 1 FKAF CCCN(CCC)CCc1ccc(OC)c(OCCc2ccc(F)cc2)c1 13795830 ANUUPTYCGZUUQS-UHFFFAOYSA-N 373.512 5.120 0 1 FKAF COc1ccc2c(c1)[C@@]13CC[C@H](C)[C@H](C)[C@@H]1[C@@H](C2)N(CC1CCC1)CC3 26670426 URDKDABBNGKIDR-OFHCLZCOSA-N 353.550 5.046 0 1 FKAF CCN(CC)CCS[C@H]1Cc2ccccc2Oc2ccc(SC)cc21 27555165 PZVJXPCJOCOJQX-NRFANRHFSA-N 373.587 5.873 0 1 FKAF Clc1ccc(C[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 33493881 MAUZZLMDDSUTCD-CQSZACIVSA-N 365.691 5.870 0 1 FKAF CCCCCCOc1cc(Cl)c(C(=O)CCN2C[C@H]2C)cc1Cl 42988548 FWEQPKVOKVCVSZ-ILRUXTBWSA-N 358.309 5.229 0 1 FKAF CCCC[C@H](Sc1ccc(OCCCOc2ccccc2)cc1)C(=O)O 43064205 MHFJMHMWBKXGQA-FQEVSTJZSA-N 374.502 5.270 0 1 FKAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1Cc1ccccc1F 72122907 WDWQMEVYADKWMN-QFIPXVFZSA-N 364.851 6.134 0 1 FKAF Clc1ccc(Oc2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1 72176194 HJLJSSJNCHMHBD-UHFFFAOYSA-N 354.236 6.934 0 1 FKAF Clc1ccc(CNc2cc(Oc3ccc4ccccc4c3)ncn2)cc1 82068343 GJLJBYUFNNVMKH-UHFFFAOYSA-N 361.832 5.688 0 1 FKAF Cc1ccc(CNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3)n2)cc1 82163313 RTUITJWBFVBZKO-UHFFFAOYSA-N 370.456 5.336 0 1 FKAF FC(F)(F)c1ccc([C@H]2c3ccsc3CCN2Cc2ccccc2)cc1 84756975 URCXMVDTQUZWAI-FQEVSTJZSA-N 373.443 5.915 0 1 FKAF CN1CC[C@@]2(C)C(=CC1=O)CC[C@H]1C3=CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]12 169233077 JCOVZEZAKFIQBN-JFTIDPPCSA-N 374.528 5.026 0 1 FKAF COc1ccc(C(=O)O[C@H]2/C=C(\C)CCC[C@@]3(C)CC[C@]2(C(C)C)O3)cc1 198692106 DBJFGKAHADMLDQ-FXDNMFHBSA-N 372.505 5.315 0 1 FKAF CN1[C@H]2CC[C@H]1[C@H](c1cc(C(C)(C)C)no1)[C@H](c1ccc(Cl)cc1)C2 253852567 MCXVQEGECPBTDZ-OGNFBWPZSA-N 358.913 5.359 0 1 FKAF Fc1ccc(Nc2ccnc3ccc(-c4cncs4)cc23)cc1Cl 299852249 PJJIVROEUNEVOG-UHFFFAOYSA-N 355.825 5.894 0 1 FKAF Cc1c(-c2ccccc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988808 RGRYNTFGBMFDCD-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccccc3S)nc3ccc(O)c1c23 586993905 LMOBUSXMKNGGQB-UHFFFAOYSA-N 355.418 5.108 0 1 FKAF Brc1ccc(-c2ccc(/C=C/c3nc4ccncc4[nH]3)o2)cc1 586998388 KQOWPMIKFJCBKB-SOFGYWHQSA-N 366.218 5.151 0 1 FKAF Cc1cccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 587067883 AULJVOFFCFXRQA-UHFFFAOYSA-N 374.831 5.637 0 1 FKAF COc1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587123347 DANUWYKJBCVOQE-WTKPLQERSA-N 350.365 5.354 0 1 FKAF CC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCCCC1 587600926 DBXFNGOSJUSBJJ-RXVVDRJESA-N 352.430 5.083 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCC1CCCCC1 587601716 GQSOTZWVWPQJEC-QUCCMNQESA-N 352.430 5.083 0 1 FKAF CCCCC/C=C/CC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603962 SNQPQQQXEBQYFS-VKEZQZQQSA-N 366.457 5.639 0 1 FKAF CCc1c(-c2ccc(Br)cc2F)[nH]c2ccc(F)c(Cl)c12 587629256 GXRKTORWTADAEF-UHFFFAOYSA-N 370.624 6.091 0 1 FKAF CC(=O)c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587784171 OCCXFNICPDWZSP-ZROIWOOFSA-N 368.436 5.515 0 1 FKAF Clc1cnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 587784583 RVLWAVXPOADCGF-DHZHZOJOSA-N 361.832 5.361 0 1 FKAF CC/C=C/CC/C=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821645 WRMRLMDCSPNHOR-SATBSUNCSA-N 352.291 5.466 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cccc(C)c4[nH]3)c2C)c(OC)c1 587929639 OHLCXWSJQSKZMY-UHFFFAOYSA-N 358.441 5.531 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587955733 UZHLGKDLZZHJBU-UHFFFAOYSA-N 368.786 5.749 0 1 FKAF CCC[C@]1([C@H](C)CC)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962630528 KAYGMMBUPKBALU-PBXXJUDPSA-N 362.561 5.475 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CC[C@H](C)C[C@H]2C(C)(C)C(C)C)N1 962949491 FVWVVMKDDQWLFK-SNMCCPJMSA-N 366.593 6.406 0 1 FKAF c1ccc(-c2cccc(OCCCCCCN3CCCCCC3)c2)cc1 1857546057 VXLSOWBYZFLCFH-UHFFFAOYSA-N 351.534 6.169 0 1 FKAF CC1=C(Cc2nc(=O)o[nH]2)c2ccccc2/C1=C\c1ccc(C(C)C)cc1 1857619980 RBQOFOFZYWLKIM-NDENLUEZSA-N 358.441 5.057 0 1 FKAF Cc1ccc2oc(-c3cccc(NC(=O)NCc4ccccc4)c3)nc2c1 1857775149 ZCWNXNMJDIGETF-UHFFFAOYSA-N 357.413 5.125 0 1 FKAF CC(C)C(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1 2382222613 KMPUPVNGHDHCFQ-UHFFFAOYSA-N 373.452 5.241 0 1 FKAF COc1ccc(-c2noc3c2-c2nc(C4CCCCC4)sc2CC3)cc1 15937076 GEJIVVJNRRZWOU-UHFFFAOYSA-N 366.486 5.620 0 3 FKAF COc1cccc2c(Nc3ccccc3C)c(C(=O)C3CCCCC3)cnc12 1532993 SJRBUQNHCZOJAL-UHFFFAOYSA-N 374.484 6.058 0 1 FKAF CC[C@@H]1Oc2c(CC=C(C)C)c(O)c(C(=O)[C@H](C)CC)c3oc(=O)cc1c23 1650658 UIUQJKPWTIMLDM-DOMZBBRYSA-N 370.445 5.080 0 1 FKAF biogenic CC1(C)CC(c2ccc(Cl)cc2)=C(c2ccc(S(C)(=O)=O)cc2)C1 13739717 HUVCBGHNHBHJBX-UHFFFAOYSA-N 360.906 5.474 0 1 FKAF O=C(O)C[C@H]1CCCc2c1n(Cc1ccc(Cl)cc1)c1ccccc21 34489823 AEIQZZAOZDLCSH-OAHLLOKOSA-N 353.849 5.238 0 1 FKAF COc1ccc([C@@H](Sc2ccc3ccccc3c2)c2cccnc2)cc1 43014649 JGVRYGGYUBWTQV-HSZRJFAPSA-N 357.478 6.125 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1Cl)[C@H](OC(C)(C)C)n1cnc(C)c1 45358546 MPJAQRAQTLCSOF-SJORKVTESA-N 371.308 5.590 0 1 FKAF Clc1cc(-c2csc(-c3cccc4cccnc34)n2)c(Cl)s1 58512163 AEMJWHXTZZXLBM-UHFFFAOYSA-N 363.294 6.394 0 1 FKAF CCCCCn1c(C)c(C(=O)c2ccc(F)c3ccccc23)c2ccccc21 95561063 IBCGCPIEVOHYAS-UHFFFAOYSA-N 373.471 6.663 0 1 FKAF O=C(O)CCCCCCCCCCC[C@@H]1C[C@H]2[C@H]1[C@@H]1[C@@H]3[C@H]4CC[C@@H]4[C@H]3[C@@H]21 102184858 ZPDCFDULRXOVLT-XYHDXFNGSA-N 358.566 6.146 0 1 FKAF Fc1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1Cl 299852338 QMUKXFROXCOBER-UHFFFAOYSA-N 356.813 5.289 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H]1CCCC[C@@H]31 586992211 ZQAYMMMYQIFJFB-ZIAGYGMSSA-N 355.437 5.372 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1cccc(Cl)c1C4)-c1ccccc1C2=O 586994299 XPFRPOFOCOLCAO-UHFFFAOYSA-N 367.835 5.979 0 1 FKAF COc1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1 587050386 PTPVKAVNCKQUAY-UHFFFAOYSA-N 362.816 5.371 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccnc(O)c2[nH]1 587072635 SVEJJBDPSNPUIB-JXBCQSMISA-N 374.271 5.336 0 1 FKAF Fc1ccc(-c2ccccc2-c2nc3ccc4ncccc4c3[nH]2)cc1F 587144538 ADKJYTCLDNQFLX-UHFFFAOYSA-N 357.363 5.723 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3ccc(Br)nc3[nH]2)c1 587153705 ZTVLGGMBGSBERN-UHFFFAOYSA-N 368.209 5.194 0 1 FKAF CC[C@]1([C@H]2CC2(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354162 NHTXDYHPGIKKRH-CNNODRBYSA-N 354.421 5.085 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](C(C)C)C3)c1 587365693 IOCYUROQTWTXGU-INIZCTEOSA-N 371.480 6.418 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc4ocnc4c3)cc1)O2 587394362 FQNRUHBEYJEWQE-JOCHJYFZSA-N 370.408 5.092 0 1 FKAF CC(C)CCC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521120 CROVBRUKHCHHHB-VWLOTQADSA-N 362.513 6.252 0 1 FKAF CCc1nc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2o1 587522261 DHYRMZYBMUJNFJ-QHCPKHFHSA-N 361.441 5.150 0 1 FKAF CC1=CCCC(C)(C)[C@H]1CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525266 RJXJCXQMKOEKHA-SQJMNOBHSA-N 366.545 6.452 0 1 FKAF CC(C)=CCC[C@H](C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603734 RFIGUWPEBLUDIK-OHEPNIRZSA-N 352.430 5.105 0 1 FKAF CCOC(=O)c1c(-c2ccc(F)c(F)c2)[nH]c2ccc(F)c(Cl)c12 587629520 TTZHITMOVRCSPY-UHFFFAOYSA-N 353.727 5.082 0 1 FKAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587813167 BRESGYDUVXCLEV-DJJJIMSYSA-N 362.286 5.003 0 1 FKAF CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=C(C)C)CC1 587817899 NOACIUHVIGKOOC-YJYMSZOUSA-N 364.302 5.394 0 1 FKAF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587842829 GNTYVQUWOWGUOA-VVVCHXIZSA-N 368.315 5.064 0 1 FKAF CCOc1ccc(-c2nc(-c3ccc(SC)cc3)cs2)cc1OC 587924661 HXFDYZFVRIMZHV-UHFFFAOYSA-N 357.500 5.606 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)c1 587932117 NEFAXEZQADKURQ-UHFFFAOYSA-N 368.795 5.404 0 1 FKAF Cc1cc2c(cc1F)[C@@](Cc1ccccc1Cl)(c1occc1C)NCC2 962375422 NIUKMTVBIVYUJI-QFIPXVFZSA-N 369.867 5.321 0 1 FKAF CC1(C)[C@H]2CC[C@@]1(C)[C@@]1(C2)c2cccc(F)c2CCN1[C@H]1CCSC1 962720925 XRNKVIOIUIMWFR-RZTYQLBFSA-N 359.554 5.231 0 1 FKAF COc1ccc(-c2c(Nc3ccc(C)cc3)c3ccccc3oc2=O)cc1 1772639640 UYWBLUVQMPOPAN-UHFFFAOYSA-N 357.409 5.521 0 1 FKAF CCOc1cc(F)ccc1-c1ccc(-n2cc(-c3ccccc3)nn2)cc1 1857638051 HFWRQEVYZABWTF-UHFFFAOYSA-N 359.404 5.139 0 1 FKAF CC(=O)Oc1c(Cl)c(C)c(C=O)c(O)c1C/C=C(\C)CCC=C(C)C 1857655539 WJHYFHZXMCKNHI-UKTHLTGXSA-N 364.869 5.327 0 1 FKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 2356429750 HIGFJBWLJMUGFT-ODMZTYEXSA-N 368.605 7.327 0 1 FKAF CC(C)=CCC[C@]1(C)CCC[C@]2(C)C(CCC(C)=CC(=O)O)=C(C)CC[C@H]12 2356562378 VMXBEUNFNFIWLY-QLBJFCOMSA-N 372.593 7.467 0 1 FKAF CC(=O)OCC=C(C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)O)[C@@H]2CC[C@H]1C 2356616964 MHVXKXKLJNXBPK-MWRLGJARSA-N 362.510 5.140 0 1 FKAF Cc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 28817092 ZDADQNJEUZQHKH-UHFFFAOYSA-N 357.497 5.068 0 1 FKAF in-vivo Cc1ccnc(Oc2nc(C)c(N[C@@H](c3ccccc3)C(C)C)nc2C)c1 28956279 FNPQLDDEJNBIMV-HXUWFJFHSA-N 362.477 5.398 0 1 FKAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)c1ccccc1 29397981 JLJZVEISIGINQE-WJGLBBAVSA-N 362.513 5.439 0 1 FKAF Cn1c(-c2ccc(Cl)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1 40430566 PWFIVVWXVGTAHD-UHFFFAOYSA-N 358.272 5.259 0 1 FKAF CCCCCS[C@@H]([C@H](OCC)c1ccc(Cl)cc1)n1ccnc1 45372856 VQBLRBCMOWIRGB-MSOLQXFVSA-N 352.931 5.736 0 1 FKAF c1ccc(-c2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1 72124318 PVWPFXBVCOPOGF-UHFFFAOYSA-N 357.457 5.087 0 1 FKAF Cc1ccc(/C=C/c2c(-c3ccc(O)cc3)noc2-c2ccc(O)cc2)cc1 84688349 GVFSIBRLEYMZDJ-GIDUJCDVSA-N 369.420 5.899 0 1 FKAF FC(F)(F)c1ccc(Nc2nnc(-c3c[nH]c4ccccc34)s2)cc1 84757719 SUZFEIALZQKSEG-UHFFFAOYSA-N 360.364 5.449 0 1 FKAF CC(C)c1cccc(-c2c(C(=O)O)c(C(C)C)nc3ccc(Cl)cc23)c1 205465675 XQQNZRIFDBMKDY-UHFFFAOYSA-N 367.876 6.500 0 1 FKAF in-vitro CC(C)(C)c1cccc(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)c1 221078194 WEQAAIJKDZECHR-LJQANCHMSA-N 365.498 5.714 0 1 FKAF CC(C)(C)C1=NN(c2ccc(Br)cc2)[C@@H](c2ccc(O)cc2)C1 299828468 JLKIPRKJCPFBNC-QGZVFWFLSA-N 373.294 5.508 0 1 FKAF Cc1ccc2c3c(cc(C4CCC(F)(F)CC4)nc13)-c1ccccc1C2=O 586994719 DEBCSKPQDPUYQZ-UHFFFAOYSA-N 363.407 6.048 0 1 FKAF CSc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587017398 KZADNUKZNYJBJP-UHFFFAOYSA-N 358.879 5.124 0 1 FKAF Cc1cc(Br)c2[nH]c(-c3csc(-c4ccc(C)o4)n3)nc2c1 587018154 XMHHOWDXBHQFQI-UHFFFAOYSA-N 374.263 5.326 0 1 FKAF C[C@H]1CCc2sc(-c3nc4cc(SC(F)(F)F)ccc4[nH]3)cc2C1 587034680 XYGRFFIMYIXPJV-VIFPVBQESA-N 368.449 6.028 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587069047 HOJADQLVCBZAEE-VIFPVBQESA-N 367.663 5.900 0 1 FKAF Cc1ccc2c3c(cc([C@@H]4C[C@@H](C)C[C@@H](C)C4)nc13)-c1ccccc1C2=O 587099727 UFIAKLHCPAJEGX-QLPKVWCKSA-N 355.481 6.294 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4C(C)C)-c1ccccc1C2=O 587102155 YXDOSWKMXPLHFD-GOSISDBHSA-N 355.437 5.010 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cnc4ccccc4n3)nc3cccc1c23 587105485 ATYHIZDSQGYEPI-UHFFFAOYSA-N 359.388 5.056 0 1 FKAF CC(C)(C)c1cccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 587144906 FWPAWSBLERTHIS-UHFFFAOYSA-N 358.460 6.257 0 1 FKAF COc1cccc(-c2c(Cc3ccccc3)cnc3c2oc2ccccc23)c1 587365728 ISQCYAAJTBPCSW-UHFFFAOYSA-N 365.432 6.247 0 1 FKAF O=C1C[C@H](c2ccn(Cc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587515715 PAIBGCLEIAXXLH-HSZRJFAPSA-N 357.453 5.122 0 1 FKAF CCCCCCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587530249 DKXNYUILVJKGBY-NRFANRHFSA-N 368.542 6.456 0 1 FKAF O=C1C[C@H](c2cccc(-c3ccc(O)cc3)c2)Oc2c1ccc1c2CCCC1 587532229 JTCAIVVRQDCJFO-XMMPIXPASA-N 370.448 5.645 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc(F)c12 587633305 YZMNQQFEBFUZFR-UHFFFAOYSA-N 352.192 5.458 0 1 FKAF CCOC(=O)c1c(-c2cc(F)c(F)c(Cl)c2F)[nH]c2cc(F)ccc12 587633808 LIIVPIOHDVKXQY-UHFFFAOYSA-N 371.717 5.221 0 1 FKAF CC[C@H](c1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821579 VWOPAACPGJEQOI-PEELUZDISA-N 362.286 5.357 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(SC)cc4[nH]3)c2)c1 587932118 NEVYUIFRGMSODD-UHFFFAOYSA-N 362.454 5.333 0 1 FKAF CC/C(=C/c1nc2cc(Br)c(F)cc2[nH]1)c1ccc(C)cc1 587969039 XZLLOJFJBIDYSO-WQLSENKSSA-N 359.242 5.724 0 1 FKAF C[C@@H]1[C@@H](NC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)CCC[C@H]1C 618006328 MKXFCMDCSPFWIL-WQGACYEGSA-N 356.853 5.189 0 1 FKAF CCn1ccc2ccc([C@H]3c4ccsc4CCN3Cc3ccco3)cc21 962715716 XKMGFGRCUBDDAO-QFIPXVFZSA-N 362.498 5.463 0 1 FKAF COc1cc([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)ccc1SC 963101536 CBJVVVQFQIOBJT-SFHVURJKSA-N 368.329 5.133 0 1 FKAF O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)c(Cl)cc1O 1772626399 VQJZNMZPOBAHJF-UHFFFAOYSA-N 351.016 5.258 0 1 FKAF CN(C)CCC[C@]1(c2ccc(Cl)c(Cl)c2)OCc2ccccc21 1772656249 MQLHVOGYGMSPAT-LJQANCHMSA-N 350.289 5.109 0 1 FKAF Clc1ccc2sc(N3CCc4c([nH]c5ccc(Cl)cc45)C3)nc2c1 1857541619 XDDSHXASPVATKY-UHFFFAOYSA-N 374.296 5.647 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(F)cc3)nc3c2Cc2c(O)cccc2-3)c1 1857571273 KNJJQTCVZSZIFC-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF O=C(Nc1cccnc1)c1ccccc1OCc1c(Cl)cccc1Cl 1857603331 NKVNXCMXGNGHAB-UHFFFAOYSA-N 373.239 5.220 0 1 FKAF CCCCCC1=C[C@@H](O)C=CCC=C(CC[C@@H](C)CCCC(=O)O)O1 2356820647 FNADGMSSLFUCRL-ROUUACIJSA-N 350.499 5.343 0 1 FKAF COc1cc2c(c3c1[C@@H](OC)C[C@H](c1ccccc1)O3)C=COC2(C)C 14439346 BGZPWFYXIHPTOV-MJGOQNOKSA-N 352.430 5.143 0 1 FKAF biogenic CCCCCc1cc(O)c2c(c1C(=O)OC)OC(C)(C)[C@H]1CCC(C)=C[C@@H]21 14722877 LKLZAPSGDVLPGH-SJORKVTESA-N 372.505 5.522 0 1 FKAF biogenic C[C@H](c1nc(-c2ccc(Cl)cc2Cl)no1)[C@H](N)C(F)=C1CCCC1 29126169 LUXHGFZUOSWXLD-VFZGTOFNSA-N 370.255 5.272 0 1 FKAF CCSCCCC[C@H](c1ccc(O)cc1)[C@@](C)(CC)c1ccc(O)cc1 29330657 JCDRAYIOBFSNHU-PKTZIBPZSA-N 372.574 6.473 0 1 FKAF CNCc1ccccc1Sc1ccc(C)cc1NCc1ccc(F)cc1 40379038 OORQAYQYEWAQJS-UHFFFAOYSA-N 366.505 5.617 0 1 FKAF FC(F)(F)c1ccc(Nc2noc3cc(-c4ccncc4)ccc23)cc1 45245546 KRVQKKAWPQTXQH-UHFFFAOYSA-N 355.319 5.652 0 1 FKAF Cc1cc(C)cc(-c2cc3cc(OC(F)(F)F)ccc3n2C[C@@H](C)O)c1 66258724 LEPSNUKXKULMID-CQSZACIVSA-N 363.379 5.205 0 1 FKAF Cc1ccc(C[C@@]2(/C=C/c3ccccc3)CCc3ccccc3[C@@H]2O)cc1 71342080 GOQBRVPIIFWKRS-DULBHHRVSA-N 354.493 5.917 0 1 FKAF CC(C)c1cccc(Nc2nnc([C@H](O)c3ccccc3Cl)s2)c1 82082089 OXXXMTZUEQHCTK-MRXNPFEDSA-N 359.882 5.140 0 1 FKAF CCCCCn1c(C2CC2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181392 URMNYRAIUITSAA-UHFFFAOYSA-N 369.900 5.159 0 1 FKAF Cn1c2ccccc2c2cc([C@H]3CC(c4ccc(F)c(F)c4)=NN3)ccc21 84689988 YFBGFKYAYNMOLR-LJQANCHMSA-N 361.395 5.048 0 1 FKAF CC(=O)OCC[C@@H](C)CC[C@H]1C(C(=O)O)=CC[C@H]2C(C)(C)CCC[C@@]21C 85994218 CXKZOELQYJVEMI-SXTKRDDTSA-N 364.526 5.219 0 1 FKAF Oc1cccc(-c2cc(-c3cccnc3)nc(-c3cccc(Cl)c3)c2)c1 95554843 NGUAOKQCYQAMMI-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF Clc1ccc(-c2nnc(CCCc3c[nH]c4ccccc34)o2)cc1Cl 96917104 KXCQUDQXGALDBI-UHFFFAOYSA-N 372.255 5.700 0 1 FKAF OC1=C2C(=Nc3ccc4ccccc4c3[C@H]2c2ccc3c(c2)OCO3)CC1 104109363 SAHGYKGCQOHCQH-OAQYLSRUSA-N 355.393 5.392 0 1 FKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2 147711853 WISKNMYMNRQYOL-HZPDHXFCSA-N 353.506 6.402 0 1 FKAF Oc1nc2sccc2c(NC2CCCCC2)c1-c1nc2ccccc2[nH]1 299822805 BUQVVDYITJQVHY-UHFFFAOYSA-N 364.474 5.290 0 1 FKAF O=C(CCc1ccc(F)cc1)c1[nH]c2ccccc2c1-c1ccc(F)cc1 299829097 PXKDWUDNMQAEKB-UHFFFAOYSA-N 361.391 5.929 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cc(SC(F)(F)F)ccc4[nH]3)cc2)o1 586903993 XALFXJPJPMJTGI-UHFFFAOYSA-N 374.387 6.410 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cncnc2[nH]1 587070465 HKFPJMVMOOAOOH-PWVRTQFHSA-N 359.260 5.026 0 1 FKAF Cc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1Cl 587083307 NFPSVVFHJBGBHJ-UHFFFAOYSA-N 362.647 6.047 0 1 FKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587196708 XQXFVQIMQDIVQU-MRXNPFEDSA-N 373.525 5.932 0 1 FKAF Cc1cc(Cl)ccc1OCCCC(=O)c1coc2ccc(Cl)cc12 587277758 AKCPDAONUFAGOS-UHFFFAOYSA-N 363.240 6.090 0 1 FKAF CSc1nsc(SC)c1C(=O)c1coc2ccc(Cl)cc12 587278064 CTXJWDNESQIJRD-UHFFFAOYSA-N 355.893 5.218 0 1 FKAF O=C1c2ccc(O)cc2OC2(CCCCCCCC2)[C@@H]1c1ccc(F)cc1 587351718 KWNXZKSIWUUULP-OAQYLSRUSA-N 368.448 5.763 0 1 FKAF C[C@@]1(CC2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356467 QNGFZIKEPILMKT-IRLDBZIGSA-N 354.421 5.229 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)c1ccccc1C(F)(F)F)O2 587381438 IZMYTDSFWNBJHT-BLVKFPJESA-N 363.379 5.124 0 1 FKAF O=C1C[C@H](c2ccccc2-c2cccnc2)Oc2c1ccc1c2CCCC1 587513769 FJFKKYADQBCUAZ-HSZRJFAPSA-N 355.437 5.334 0 1 FKAF CC(C)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587520808 FYRRYHXDWBVHGL-JOCHJYFZSA-N 366.457 5.012 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 587565096 VWXJRCHZRFURBC-UHFFFAOYSA-N 350.506 6.127 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(C(F)(F)F)cc1 587623874 AXMBGAWKYKECCS-UHFFFAOYSA-N 351.755 5.688 0 1 FKAF Cc1[nH]c2c(C)cccc2c(=O)c1Cc1c(C)[nH]c2cc(Cl)c(F)cc12 587632566 KATDNQUVELMLOY-UHFFFAOYSA-N 368.839 5.318 0 1 FKAF Fc1ccc(-c2[nH]c3cccc(F)c3c2CSc2ccccn2)cc1 587634641 NOYXOHCUENVGEP-UHFFFAOYSA-N 352.409 5.800 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(Cc3ccccc3Br)c(C)c2c1 587638224 DGMBCTXTRJMOEY-ZDUSSCGKSA-N 356.307 6.343 0 1 FKAF Cc1cccc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 587801214 DRSVKEVLGRLPMX-WYRIXSBYSA-N 373.269 5.002 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@H]2C[C@H]3CC[C@H]2C3)N1 587816497 YXNSAJIUFCFYNB-MPLJDPDJSA-N 366.318 5.164 0 1 FKAF CCCCC/C=C/C=C\[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587817451 CDFWRHRRMCJDLJ-GKWPHPHCSA-N 366.318 5.856 0 1 FKAF CCCCC/C=C/C=C\[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820027 NVPSKDZIQNMHHX-VLYNWOFUSA-N 366.318 5.856 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(n2)-c2ccccc2C3)cc1 653735643 CWEYYEJIMSOYKF-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF Cc1[nH]c2ccc(F)cc2c1C[C@@H](NCc1ccccc1)c1ccccc1 1857537913 MULJLLUXENRZAN-XMMPIXPASA-N 358.460 5.689 0 1 FKAF Oc1ccc([C@H]2CC(c3cc4ccccc4o3)=Nc3ccccc3S2)cc1 1857638718 XLWWQBIHOZHJAM-HSZRJFAPSA-N 371.461 6.496 0 1 FKAF Nc1oc2c(-c3cccnc3)nccc2c1Nc1ccc(F)c(Cl)c1 1857771236 KTMSEJGAPQPXSK-UHFFFAOYSA-N 354.772 5.008 0 1 FKAF CC(C)=CCC=C(C)[C@H]1CC=C(C(=O)O)CCC=C(C)CCC=C(C)CC1 2356480017 MQBDHUKRLXQNQC-HSZRJFAPSA-N 370.577 7.553 0 1 FKAF CC=C(C)C=C(C)C=C(C)C=CC=CC=Cc1oc(=O)cc(OC)c1C 2356493337 OYWYCUVDFLSMOF-UHFFFAOYSA-N 352.474 5.941 0 1 FKAF CC(C)=C1CC[C@H](C)[C@@](C)(CCc2ccoc2)[C@@H]1CCC(=O)OC(C)C 2356610752 WXJSQSRTYFZBJE-QTGUNEKASA-N 360.538 6.333 0 1 FKAF CC(C)CCCCCCCCCCCCCCCCC[C@H](O)C(=O)O 2356638357 AVOKUFLHYISCSO-NRFANRHFSA-N 356.591 6.720 0 1 FKAF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@H]32)C1 2356664055 FLRSLUQBFCJCGO-XZNYGTFNSA-N 362.554 5.223 0 1 FKAF Cc1cc2nc(-c3ccccc3)c(CC(C)(C)C)n2c(C)c1Br 72120505 ZIIMFUKPLLYORN-UHFFFAOYSA-N 371.322 5.969 0 3 FKAF CCCC[C@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc3ccccc3c2)O1 72133469 BRWDSDGKSUQEQC-RXVVDRJESA-N 366.457 5.424 0 3 FKAF CCCN(CC1CC1)c1nc(C)cc(N(C)c2c(C)cc(C)cc2C)n1 3625526 AFEKRDSXHPZPMD-UHFFFAOYSA-N 352.526 5.105 0 1 FKAF O=C1c2ccccc2-c2cccc3ccc(Cc4ccc5ccccc5c4)c1c23 5892435 GSMPDWKAFABVGJ-UHFFFAOYSA-N 370.451 6.795 0 1 FKAF CCCCCc1cc2c(c3c1CCCO3)[C@H]1C=C(C)CC[C@@H]1C(C)(C)O2 26983701 ZSWRBXLXOXOSOJ-PMACEKPBSA-N 354.534 6.355 0 1 FKAF CN(C)CCCc1c(-c2cccc(Br)c2)[nH]c2ccccc12 28005621 LGYNZMKGCCCVLE-UHFFFAOYSA-N 357.295 5.092 0 1 FKAF CCOC(=O)c1ccc(-c2nn(Cc3ccccc3F)c3ccccc23)cc1 29063451 JCSJHSNFVSXTQC-UHFFFAOYSA-N 374.415 5.067 0 1 FKAF C[C@@H](Cn1ccnc1)[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 45384658 IXQPQTQYOIYCGW-HNAYVOBHSA-N 360.379 5.358 0 1 FKAF CC(C)=CCC[C@]1(C)CCC[C@]2(C)C(CC/C(C)=C/C(=O)O)=C(C)CC[C@H]12 59779429 VMXBEUNFNFIWLY-LDHSGZKSSA-N 372.593 7.467 0 1 FKAF CC(C)n1nc(-c2ccc3c(c2)sc2ccccc23)c2c(N)ncnc21 71295150 FMTNOFXBEYMHRW-UHFFFAOYSA-N 359.458 5.024 0 1 FKAF CC[C@@H](C)Nc1ncc(-c2nc3ccccc3s2)c(-c2cccc(C)c2)n1 82173698 KVZUULKIGAQZSK-OAHLLOKOSA-N 374.513 5.939 0 1 FKAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccncc2)cs1 96284258 AHIJPMOBBZPOCG-UHFFFAOYSA-N 365.245 5.156 0 1 FKAF CCCC[n+]1cn([C@H](C)c2ccc3oc4ccccc4c3c2)c2ccccc21 96915721 LQOWBKWJRDKEIR-GOSISDBHSA-N 369.488 6.238 0 1 FKAF Fc1cc(-c2nc3ccc(Br)cc3s2)c(F)c(F)c1F 103184556 ZSBLJAYSDGKPPQ-UHFFFAOYSA-N 362.145 5.282 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)C1 169332984 ZTUCCRORYZZSRU-IXDOHACOSA-N 356.550 7.067 0 1 FKAF C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C 238734031 IHGKQRLXUYWOQB-FPJOVNMJSA-N 374.657 5.526 0 1 FKAF C[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)-c2ccccc21 586989518 AJAKEZIOXJGQOA-CYBMUJFWSA-N 363.416 5.478 0 1 FKAF CCN(CC)[C@@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 586997655 UYEPTLQULMSGKD-HXUWFJFHSA-N 370.496 5.474 0 1 FKAF CC(C)(C)c1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006655 PRWDNLWEJJIRFS-UHFFFAOYSA-N 368.278 5.543 0 1 FKAF Clc1cnc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 587063545 VQFKOQVTXQGKRX-UHFFFAOYSA-N 354.240 5.523 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(Cl)cc(F)c2[nH]1 587073850 MIJPFZNJHRZBAR-UHFFFAOYSA-N 371.242 6.651 0 1 FKAF Fc1ccc(/C=C(/c2nc3cc4ccccc4cc3[nH]2)c2cccs2)cc1 587164624 UDLUTVDTSGUYDM-XDHOZWIPSA-N 370.452 6.506 0 1 FKAF Fc1ccc(/C=C(/c2nc3ccc4ncccc4c3[nH]2)c2cccs2)cc1 587164773 WRKZQACXLDZTMQ-GHRIWEEISA-N 371.440 5.901 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CCCN2CC3)c1 587362751 JSLLJAUMGBJUOA-IBGZPJMESA-N 370.452 5.350 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cccc1C(F)(F)F)CC2=O 587460818 KCCMGRHCGAREHU-MRXNPFEDSA-N 368.326 5.209 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccccc3)c1)CC2=O 587486234 XFLYQDPBHYFWCH-HSZRJFAPSA-N 358.437 5.718 0 1 FKAF CCCCCc1ccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587489159 MXBLYGLKZPCODB-DEOSSOPVSA-N 366.501 5.958 0 1 FKAF COc1cc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(C)C 587527560 WVLBPQPNJKHZAN-QHCPKHFHSA-N 364.485 5.712 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c([C@H]3CCCN3C(=O)OC(C)(C)C)c2c1 587640971 CXTRPTYSZVKZEJ-IFXJQAMLSA-N 356.510 6.062 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(CC(C)C)c(-c3ccc(Cl)cc3Cl)c2c1 587641169 KTIDECIYWNHYKJ-CQSZACIVSA-N 374.355 7.854 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2F)N1 587724169 FEGTWGLGNMWXDW-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2C2CC2)N1 587815936 RMGKHXRQFQLWHH-MPBGBICISA-N 374.297 5.263 0 1 FKAF C/C(=C/c1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587817417 BVLWSMRKQOFGER-NENDNYOWSA-N 360.270 5.267 0 1 FKAF CCCCCC[C@H](C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587818485 HWNSKFNFCNMVHJ-VEVIJQCQSA-N 356.323 5.770 0 1 FKAF Cc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587818498 IAXOSXAJEBAUKS-ORAYPTAESA-N 362.286 5.137 0 1 FKAF CC(C)(C)c1ccc([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)o1 962694721 DZCZJNZTHOELDJ-IVZQSRNASA-N 373.537 5.343 0 1 FKAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2c1ccccc1C1CC1 962696961 HIAADGPWIQFIFG-AOMKIAJQSA-N 353.506 5.156 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1coc(-c2cccc(Cl)c2)n1 963111192 NHQDXLOURFJXGY-FXAWDEMLSA-N 368.839 5.244 0 1 FKAF C[C@@H](c1cccc(Cl)c1)[C@H]1c2cccc(Br)c2CCN1C 963279681 ISBUFCYGYYZIAD-SGTLLEGYSA-N 364.714 5.435 0 1 FKAF FC1(F)CCN(Cc2ccc3ncccc3c2)C[C@@H]1CCc1ccccc1 1772634280 IVAXBUQWFBWBBO-NRFANRHFSA-N 366.455 5.325 0 1 FKAF CC(C)C[C@](C)(N)COc1ccc(-c2ccnc3ccccc23)cc1C1CC1 1857743983 QZNNODQLLRSCHN-VWLOTQADSA-N 374.528 5.922 0 1 FKAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=C5C=CC=C5)CC[C@]4(C)[C@H]3CC[C@]12C 2356488998 GNDKEWBKRBOJSG-GKLJYDMOSA-N 362.557 6.577 0 1 FKAF CC(C)=CCC[C@]1(C)CCC[C@]2(C)C(CCC(C)=CC(=O)O)=C(C)CC[C@@H]12 2356562376 VMXBEUNFNFIWLY-ICDZXHCJSA-N 372.593 7.467 0 1 FKAF CCCCC[C@@H](O)C=CCCCCC[C@H](CCc1ccccc1)CC(=O)O 2356776414 HVWLGPCYLSPKLN-DHIUTWEWSA-N 374.565 6.158 0 1 FKAF CCCCC[C@H](O)C=CC=CCC1(CCCCCC(=O)O)CCCC1 2356779518 UTKDYHXVWRJHJE-FQEVSTJZSA-N 350.543 6.026 0 1 FKAF CC(=O)Oc1cc2c(cc1O)O[C@]13CCCC(C)(C)[C@@H]1CC[C@@H](C)[C@]3(C)C2 2356863654 VHLWWGUJUDALRY-KMHCDPRPSA-N 372.505 5.254 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2507971 KIQFUORWRVZTHT-MRBXEDHFSA-N 374.565 5.715 0 1 FKAF COC(=O)[C@]12CCCC(C)(C)[C@@H]1C=Cc1cc(C(C)C)c(OC)c(OC)c12 13480776 YSNDSABGXVFRFW-GAJHUEQPSA-N 372.505 5.091 0 1 FKAF biogenic CCCCN(CC)c1cc(C)nc2c(-c3ccccc3Cl)c(C)nn12 26174284 YMEQRXGZQUEWEB-UHFFFAOYSA-N 356.901 5.293 0 1 FKAF CCCCc1ccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 26578641 JIFJTLCMALFFTL-UHFFFAOYSA-N 352.522 6.920 0 1 FKAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)c(C)c1 26666786 HQSYGAHDGYLCMH-UHFFFAOYSA-N 360.479 5.093 0 1 FKAF O=C(O)CCc1ccc2[nH]c(-c3ccccc3)c(CCc3ccccc3)c2c1 26981747 DNAVCEWWLVSXHU-UHFFFAOYSA-N 369.464 5.637 0 1 FKAF C[C@]12CC[C@H](S)C[C@H]1CC[C@@H]1C3=CC[C@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@@H]12 27524140 AKVQZCLFNIRFEL-YGZTWIEUSA-N 372.574 5.347 0 1 FKAF O=C(c1cc2ccccc2[nH]1)c1cc2cc(Oc3ccccc3)ccc2[nH]1 36176854 XSKBJPGCRXDUEV-UHFFFAOYSA-N 352.393 5.673 0 1 FKAF in-vivo C[C@@H](c1ccccc1)N1CCC2(CC1)O[C@H](CCCF)c1ccccc12 45283517 ZAXUCBNRIKRZHS-PGRDOPGGSA-N 353.481 5.560 0 1 FKAF N[C@@H]1CCCOc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1 84651982 VEANKELZZUCKRH-OAHLLOKOSA-N 374.271 5.019 0 1 FKAF COc1ccc2c(c1)C(=O)c1ccc(Oc3ccc(F)cc3F)cc1CC2 95574815 XLMWKZGYLZEBNQ-UHFFFAOYSA-N 366.363 5.095 0 1 FKAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(C)s2)C2=C(O)CCCC2=N1 103873105 UXONDMGIPZPFRA-HXUWFJFHSA-N 371.502 5.351 0 1 FKAF Clc1ccnc(Nc2ccc(Oc3ncccc3-c3ccncc3)cc2)c1 139303834 ZYZUKUZTNRPCLM-UHFFFAOYSA-N 374.831 5.728 0 1 FKAF COc1cc(C(=O)O[C@@H]2C/C=C(\C)CCCC(C)(C)C/C=C\2C)ccc1O 238745278 DXFUHPQQBUICFH-LYEFUPEZSA-N 372.505 5.809 0 1 FKAF CCOC(=O)c1sc(Nc2ccc(C)c(Cl)c2)nc1C(C)(C)C 299869564 UZPDPOIWEKTKDG-UHFFFAOYSA-N 352.887 5.323 0 1 FKAF Cc1cc(Br)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 586883366 BKKUIYKASZUNON-KUHUBIRLSA-N 353.263 5.005 0 1 FKAF FC(F)(F)Sc1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586885560 WJLMMBAHXAIGAA-BWCYYRKRSA-N 352.425 5.643 0 1 FKAF CC(C)c1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(O)c(C(C)C)c1 586896554 NYELHWNRESXMCR-UHFFFAOYSA-N 364.276 5.884 0 1 FKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(C)cc4[nH]3)cc2F)c1 587143283 PQQAQIWPFOYRCE-UHFFFAOYSA-N 366.823 6.006 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cc(C)c(F)cc4[nH]3)c(Cl)c2)cc1F 587145064 GYMWDOSOHRPZCH-UHFFFAOYSA-N 368.814 6.445 0 1 FKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cncc(Cl)c3[nH]2)cc1F 587150692 NQJMEMYJRLSXJR-GOSISDBHSA-N 371.774 5.058 0 1 FKAF CC(C)(C)c1cccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587196282 PSLYDQBHPNCWFM-UHFFFAOYSA-N 369.512 6.067 0 1 FKAF CC1=C(C)O[C@@](C)(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 587206338 IMEYJZJNYFOJLC-XMMPIXPASA-N 355.437 5.766 0 1 FKAF Fc1cc2[nH]c(-c3cccnc3NCc3ccccc3)nc2cc1Cl 587230260 QSIYHIYTRYNVCE-UHFFFAOYSA-N 352.800 5.030 0 1 FKAF COc1cccc(-c2c(C)c(-c3cnccn3)nc3c2oc2ccccc23)c1 587363841 PBNGAPLFTSJHBR-UHFFFAOYSA-N 367.408 5.422 0 1 FKAF CCO[C@@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587365630 MXYCIADTCRXGDW-LJQANCHMSA-N 359.425 5.680 0 1 FKAF COc1cccc(-c2c([C@@H](C)C(=O)O)c(C)nc3c2oc2ccccc23)c1 587367709 SVXWPVFFWXGVOX-GFCCVEGCSA-N 361.397 5.153 0 1 FKAF Cc1cc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1Cl 587499559 VLLASLUOOFXAEV-SFHVURJKSA-N 356.849 5.248 0 1 FKAF O=C1C[C@](c2ccccc2)(c2ccc(F)cn2)Oc2c1ccc1c2CCCC1 587507355 MGLYYOZWNSPUOZ-DEOSSOPVSA-N 373.427 5.009 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccc(F)cc3)c(-c3ccc(O)cc3O)[nH]c12 587624305 GLDCUHHJEPJXDO-UHFFFAOYSA-N 367.807 6.014 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC[C@@H]2C[C@H]3CC[C@H]2C3)N1 587819793 NNUJFVAFUMCWTA-MNIOUWRPSA-N 366.318 5.380 0 1 FKAF Cc1cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)sc1Br 963115400 WOQQXFYBXJEFJU-BBRMVZONSA-N 366.299 5.068 0 1 FKAF CC(=CCC[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C)CC[C@@H]3C(C)=CC[C@@H]12)CO 2356483206 FCDTYKFKWUCPPD-DAJFNPQOSA-N 356.594 6.840 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@@]4(C)C3=CC[C@]21C 2356686873 WNMPECVUVQDPTP-FVLCGZHESA-N 366.589 6.615 0 1 FKAF COc1cc(-c2c[nH]cc2-c2cc3ccccc3s2)cc(OC)c1OC 2382221966 DOUIHCGJMAYHFF-UHFFFAOYSA-N 365.454 5.589 0 1 FKAF CNCCc1csc(-c2ccc(F)c(C34CC5CC(CC(C5)C3)C4)c2)n1 2382248465 RVVIMYZPLZSSBO-UHFFFAOYSA-N 370.537 5.179 0 1 FKAF COc1ccc2oc([C@H](c3ccccc3)c3[nH]c4ccccc4c3C)cc2c1 2382255950 PAPVUHNBMXTFLM-DEOSSOPVSA-N 367.448 6.411 0 1 FKAF Brc1ccc(-c2c(-c3ccsc3)sc3ccccc23)cn1 36388975 VLQJHUVRBXFQSM-UHFFFAOYSA-N 372.312 6.454 0 3 FKAF Cc1cccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc32)c1 5892716 OXZSXPGTYQMSMI-UHFFFAOYSA-N 370.077 5.462 0 1 FKAF CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1 13806737 MERADDQYWVLJMW-UHFFFAOYSA-N 358.506 7.284 0 1 FKAF Cc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(Cl)cc32)cc1 40878796 CHNCOVHBCGKKSR-MRXNPFEDSA-N 360.910 5.237 0 1 FKAF Cc1cccc2c1/N=C/c1ccccc1/C=N/c1c(C)cccc1OCCO2 43122570 HONVXEQPFLWISU-RYQLWAFASA-N 370.452 5.576 0 1 FKAF C=Cc1ccc(-c2cc(C)c3ncc(CSCc4ccccc4)n3c2)cc1 45484155 CZDYLKVIKHMTKS-UHFFFAOYSA-N 370.521 6.386 0 1 FKAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCc1ccccc1 100640208 IJEJDENYUZSCNV-OWAUWMPXSA-N 363.545 5.329 0 1 FKAF CN(c1ccc(Cl)cc1)c1nc(-c2c(Cl)cccc2Cl)cs1 103276366 LDOZTTQWVBSWQT-UHFFFAOYSA-N 369.704 6.538 0 1 FKAF CC[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1cc(C)ccc1F 253977257 CCRXMTHZKHHYRR-PJIZGREPSA-N 363.476 5.436 0 1 FKAF CCC[C@@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@@H](C)C=C(C)[C@H]1[C@@H]2C 503940408 VBWAQBZDGGCZAO-JBISBCIJSA-N 363.542 5.079 0 1 FKAF biogenic Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(Cl)ccnc3[nH]2)c1 586880103 YMINUYTYJUPMKC-UHFFFAOYSA-N 361.832 5.126 0 1 FKAF Cc1c(-c2ccc(Cl)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586993968 SSGCRKDMLMPEMM-UHFFFAOYSA-N 369.851 6.383 0 1 FKAF Cc1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 587003012 ZWTJUMIILBBZGS-UHFFFAOYSA-N 367.246 5.366 0 1 FKAF Clc1ccc(-c2nc(-c3nc4cnc5ccccc5c4[nH]3)cs2)cc1 587016278 UAOUFDACFVXFKE-UHFFFAOYSA-N 362.845 5.555 0 1 FKAF CC(C)Oc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587017814 PYBYUZHDPAWYHX-UHFFFAOYSA-N 370.865 5.189 0 1 FKAF CC(C)=C1CC[C@@H](C)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587102128 YPRBMZHBXUBVPQ-CQSZACIVSA-N 353.465 6.445 0 1 FKAF Cc1c(-c2cc(F)ccc2O)nc2cccc3c2c1-c1ccccc1C3=O 587104073 RIWGFDDTAYFSLE-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF FC(F)(F)Sc1ccc(/C=C\c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587125513 RFIXLJDVXXCFQM-GHXNOFRVSA-N 374.431 6.224 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587156554 VJYBTBSMYGJFTN-FQEVSTJZSA-N 374.415 5.463 0 1 FKAF COc1cccc(-c2cc(Cn3nccc3C)nc3c2oc2ccccc23)c1 587364330 TVMGFBIIKRJCAW-UHFFFAOYSA-N 369.424 5.210 0 1 FKAF COc1cccc(-c2cc(C3=CCCCC3)nc3c2oc2ccccc23)c1 587364530 CXDKHMIRGGQMET-UHFFFAOYSA-N 355.437 6.614 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccc(Cl)cc3)cs1)O2 587414686 UWCLKEITRLARMU-QGZVFWFLSA-N 370.861 5.061 0 1 FKAF CCCCCCc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587446400 WJPWIKCMSPHHTM-YKSBVNFPSA-N 364.485 5.481 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)c(O)c1Cl)CC2=O 587460773 PEXAJFKRKPWTPQ-OAHLLOKOSA-N 367.228 5.064 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3cc(Cl)ccc13)CC2=O 587462882 RGPUFIRYGYXHKS-OAQYLSRUSA-N 369.848 5.360 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1cccc(F)c1)(C(C)(C)C)CC2=O 587465699 GCBXFLOMAZZIBG-JOCHJYFZSA-N 356.437 5.391 0 1 FKAF O=Cc1cccc([C@@]2(C3CCC3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527897 XUBSZCOWURUCMQ-DEOSSOPVSA-N 360.453 5.039 0 1 FKAF O=C1C[C@@H](c2csc(Cl)c2Cl)Oc2c1ccc1c2CCCC1 587532996 STBQJADXXTZHAP-AWEZNQCLSA-N 353.270 5.640 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(C)(C)C)c(OC(=O)c3ccccc3F)c2c1 587642432 NOOKYLTWMKFKMO-CQSZACIVSA-N 367.464 6.337 0 1 FKAF CCc1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)c1ccc(C(F)(F)F)cc1 587643513 VGAXHRDQBXNRHA-CYBMUJFWSA-N 373.418 6.494 0 1 FKAF C(=C\c1ccccc1Oc1ccccc1)\c1nc2cc3ccccc3cc2[nH]1 587951346 YPSMLIZKMNGZOZ-PFONDFGASA-N 362.432 6.679 0 1 FKAF CCC[C@H](c1nc2cc(Br)c(Br)cc2[nH]1)C(C)C 587955869 VLLBMWKYEJMCGQ-VIFPVBQESA-N 374.120 5.628 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(Cc2c(Cl)cccc2Cl)N1 962946823 JMSMRCXRCNUXDO-LRTDBIEQSA-N 373.327 5.857 0 1 FKAF CCCCC[C@@]1(c2ccnc(Cl)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963116268 WFCZBHHZZBUCLY-SIKLNZKXSA-N 372.915 5.719 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc(-c2ccc(F)cc2)s1 963244615 WUYIWOIIYHLFRV-WAIKUNEKSA-N 365.517 6.300 0 1 FKAF Cc1cc(N(C)c2ccc3c(c2)c2ccccc2n3C)c2cccc(O)c2n1 1857548095 ZCZWJXHJBLFNNV-UHFFFAOYSA-N 367.452 5.662 0 1 FKAF CCc1cccc(-c2nn3c(c2-c2ccc(OC)cc2)[C@@H](C)C(C)(C)C3)n1 1857773422 UIEFPHQJJNNOHX-OAHLLOKOSA-N 361.489 5.326 0 1 FKAF Oc1cc(O)cc(CCCCCCCC=CCCCc2ccccc2)c1 2356669696 KPPSMCABJGUZGW-UHFFFAOYSA-N 352.518 6.560 0 1 FKAF CC(C)[C@@H](C)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)cc1F 776245 MQWXPQYPEVIVOS-LLVKDONJSA-N 366.864 5.206 0 1 FKAF COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)=C2c1ccc(O)cc1 1591099 OFSIWXDTMJYPCZ-UHFFFAOYSA-N 358.437 5.531 0 1 FKAF CCC[C@@H](CC)Oc1c(OC)cc(N[C@@H](C)CCCN)c2ncc(C)cc12 28221337 DNWITSZJVUGCBR-DLBZAZTESA-N 373.541 5.049 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3 33820867 DENXOSXUENHZPF-DZNCAFJUSA-N 372.549 5.491 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CC[C@@H](C)C(=O)NCCC 38146623 SVGIWYPVOLFGAQ-DITFXSEUSA-N 359.598 6.904 0 1 FKAF CC(C)(C)C1CCC(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 40763481 WUGLXMZHDFSWIQ-UHFFFAOYSA-N 367.537 5.121 0 1 FKAF Cc1cc(O)c2c(c1)O[C@](C)(CC[C@@H]1[C@H](C(=O)O)CCCC1(C)C)C=C2 85884666 JXSPLJWXHJTYIW-JLDZCNIISA-N 358.478 5.172 0 1 FKAF biogenic CCc1ccc(C)c2c(CCc3ccc(C)c4ccc(C)c-4c3)cc(C)c-2c1 169582429 SBVNUUZXDWQKGR-UHFFFAOYSA-N 366.548 7.477 0 1 FKAF CC(C)(C)Nc1c(-c2cccc(F)c2)nc2ccc(C(F)(F)F)cn12 207083208 GMHGSZNLCIEWAB-UHFFFAOYSA-N 351.347 5.370 0 1 FKAF O=C1c2ccccc2-c2cc(C[C@H]3C[C@H]4CC[C@H]3C4)nc3ccc(O)c1c23 586991181 LNEUQBOFZWEXNV-SOUVJXGZSA-N 355.437 5.131 0 1 FKAF Fc1cc(Cl)cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587006252 KLIWADXKMPHNSR-UHFFFAOYSA-N 364.605 5.038 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(C)c(C)c2[nH]1 587044450 BQVNKOMFXMIFHK-UHFFFAOYSA-N 351.233 5.171 0 1 FKAF COc1cc(/C=C/c2nc3c(C)ccnc3[nH]2)cc(Cl)c1OCC(C)C 587047421 WRGOJCURTILCRU-AATRIKPKSA-N 371.868 5.134 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]3c1ccc(F)cc1 587103349 FWABRWAMBDNVPI-SFHVURJKSA-N 351.380 5.273 0 1 FKAF Cn1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(C(F)(F)F)c1 587111324 DUJUXUFEHPZUHF-UHFFFAOYSA-N 367.680 5.259 0 1 FKAF CCCc1nc(-c2nc3cc4ccccc4cc3[nH]2)nn1-c1ccccc1F 587154969 HQUPTCSHJKWPHF-UHFFFAOYSA-N 371.419 5.055 0 1 FKAF O=C(CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(F)cc1 587163917 VIZQERUOJIFTOM-UHFFFAOYSA-N 370.733 5.190 0 1 FKAF C[C@@H]1CC(C)(C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587356481 QOMRWXZPIFQNAQ-OEVHLYDDSA-N 354.421 5.085 0 1 FKAF O=C1C[C@@](Cc2ccncc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587515809 RUAHAMUDMLBRJI-VWLOTQADSA-N 369.464 5.064 0 1 FKAF CC(C)C[C@H](C)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602501 YENRSYINXCOPNJ-WQFQCULDSA-N 354.446 5.185 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3c(C)cccc3Cl)c2c1 587642945 XJJKKHMQZWLYJK-GFCCVEGCSA-N 354.881 6.204 0 1 FKAF Cc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Cl 587691717 DFAQPASKEJBLOQ-BMLIUANNSA-N 368.677 5.174 0 1 FKAF Cc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587813809 DWSGVZQQRYUFPI-BUXKBTBVSA-N 362.286 5.003 0 1 FKAF Cc1ccc2c(c1)[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587816894 FLZBQUPLRQCMQA-ZUOKHONESA-N 374.297 5.011 0 1 FKAF CC(C)[C@H]1CC[C@H](C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587820589 ATAKSFXTICDOLC-CTQRGLTFSA-N 368.334 5.410 0 1 FKAF CCc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587844514 BLDLHPFCQNRSSN-DYZYQPBXSA-N 368.315 5.010 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 587933571 QWINVXLUOLUHPJ-QGZVFWFLSA-N 363.848 5.109 0 1 FKAF COc1ccc2c(c1)[C@@](c1ccc(Cl)cc1)(C1CCC1)N(C(C)C)CC2 962094830 SYZDUBMHVSQYOE-QHCPKHFHSA-N 369.936 5.659 0 1 FKAF c1ccc(CCCCNc2nc(-c3cccnc3)nc3ccccc23)cc1 1772571585 LXPSTEYVBFGHEM-UHFFFAOYSA-N 354.457 5.127 0 1 FKAF CCO[C@H]1Cc2ccccc2C2(CCC(N(C)CC3CCCCC3)CC2)O1 1857544573 IKMGBUAQTLFZNA-SHSGKGFPSA-N 371.565 5.272 0 1 FKAF CCCC[C@H](C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1CC 1911573601 VWOGQVJNHBQWLD-QHCPKHFHSA-N 367.533 5.346 0 1 FKAF C[C@H](c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)Nc1ccccc1S2 2382252758 ISJSURWSVCCWGE-MRXNPFEDSA-N 359.538 7.344 0 1 FKAF COc1ccccc1C(=O)OCc1c(-c2ccccc2)ncc2ccccc12 61968962 LTFPWITXKKYLNY-UHFFFAOYSA-N 369.420 5.267 0 3 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCO[P@](=O)(O)C(=O)O 1914870 HEXSUJFQIHTJGS-QKXOVSGLSA-N 358.415 6.066 0 1 FKAF O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(-c2ccccc2)cc1 13493267 KMVQSZVTYPHFEA-UHFFFAOYSA-N 373.843 5.649 0 1 FKAF CCCN(CCC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cccc12 13553465 NUDMNTFRWJIIBW-UHFFFAOYSA-N 360.545 6.762 0 1 FKAF Cc1cc2cc(Nc3ncnc4cc(-c5ccccc5)sc34)ccc2[nH]1 13588165 BHQDAUJABYYOCH-UHFFFAOYSA-N 356.454 5.892 0 1 FKAF CCCCOc1nc(C(Cl)(Cl)Cl)c(Cl)c(O)c1Cl 26018499 HHTMODCLDKRMJF-UHFFFAOYSA-N 353.460 5.100 0 1 FKAF Cc1ccc2c3c(ccc2c1)OC(=O)C[C@H]3c1cccc(Br)c1 29151467 RONRUDAQDXRSEN-KRWDZBQOSA-N 367.242 5.352 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC[C@H](C)C(=O)O 34962043 XKOAXHKWXLCOGH-YQUIFEAJSA-N 360.582 7.633 0 1 FKAF COc1cccc(C2=NN(c3ccccc3)[C@H](c3ccc(SC)cc3)C2)c1 49785584 RMEGAZPEHLXHAN-QHCPKHFHSA-N 374.509 5.773 0 1 FKAF FCCCC[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 73195652 JJMQPXXODDTMDK-QFIPXVFZSA-N 353.481 5.389 0 1 FKAF CCCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2C)n1 82177061 WNOMAXISMXPPSA-UHFFFAOYSA-N 374.513 5.941 0 1 FKAF Cc1cc(Oc2ccccc2)ccc1-c1nc(C2CCC2)n2ccnc(N)c12 95582195 ZVMCUUWFJNJCDC-UHFFFAOYSA-N 370.456 5.347 0 1 FKAF Nc1nccn2c(C3CCCC3)nc(-c3ccc(Oc4ccccc4)cc3)c12 96168048 OGGJITQBUVBWCZ-UHFFFAOYSA-N 370.456 5.428 0 1 FKAF COc1ccccc1-c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144733474 JSSFHVAQAUCJSQ-FQEVSTJZSA-N 356.343 5.141 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)N1CCOCC1 231934510 RUKZVIXSXGGFHW-AVHBIOJASA-N 373.581 5.991 0 1 FKAF CC(C)C1=CC[C@@]2(C)[C@H](O)CC[C@](C)(OC(=O)/C=C/c3ccccc3)[C@@H]2C1 238742353 AMEXRSNEDWSVJH-OUGOUTLESA-N 368.517 5.155 0 1 FKAF CC(=O)OCC[C@H](C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 238762584 NZKLGQRMNDHSPV-JLBAHBRCSA-N 352.559 5.350 0 1 FKAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C 253850977 HUBQDSPJUPTEJO-XJMWNJKVSA-N 355.566 5.646 0 1 FKAF c1ccc(Oc2ccc(-c3noc(-c4ccc5[nH]ncc5c4)n3)cc2)cc1 299858264 DNFFFEYLOBGLGX-UHFFFAOYSA-N 354.369 5.072 0 1 FKAF FC(F)(F)c1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)nc1 473136213 NYQUAWPXMTUXMB-UHFFFAOYSA-N 356.760 5.016 0 1 FKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 586891276 PODAPFSLALBBMZ-KSFYIVLOSA-N 358.441 5.501 0 1 FKAF Oc1cccc2c1OCC(c1nc3cc(Sc4ccccc4)ccc3[nH]1)=C2 586912034 ORDQFBHBSAHKAG-UHFFFAOYSA-N 372.449 5.353 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc4[nH]ccc34)nc3ccc(O)c1c23 586989503 LSHPISMLGPLGQH-UHFFFAOYSA-N 362.388 5.300 0 1 FKAF Cc1ccc2c3c(cc(CCc4ccc(F)cc4)nc13)-c1ccccc1C2=O 586994983 GUVPZFUONGEVLI-UHFFFAOYSA-N 367.423 5.679 0 1 FKAF CC(C)(C)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005327 SYUWMMQRESVPQI-UHFFFAOYSA-N 364.674 5.338 0 1 FKAF CSc1ccc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2c1 587013452 XFUOQYYDJUFIQG-UHFFFAOYSA-N 351.500 5.692 0 1 FKAF FC(F)Oc1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 587130712 OXRZNCMVCJMJOS-UHFFFAOYSA-N 366.367 5.410 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587161756 CKFYMSZLNYOTBO-RBUKOAKNSA-N 360.457 6.124 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)cc1 587242669 XGGQOTXCCMRKQS-UHFFFAOYSA-N 371.227 5.381 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](OC)CCC3)c1 587364827 DYVVIJPLBSQKID-IBGZPJMESA-N 359.425 5.680 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)cccc1Cl)CC2=O 587461553 RMYZOAFYWBAKIS-IBGZPJMESA-N 365.256 5.532 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc4ccccc4c31)CC2=O 587476773 BAFBOPIKOFMYGG-DEOSSOPVSA-N 358.437 5.305 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc(C)cc1)CC2=O 587477631 DXPFCYPFLSQTCU-XMMPIXPASA-N 372.464 6.027 0 1 FKAF Cc1ccc(-n2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cc1C 587516243 AZSRPIHZHAEXLT-HSZRJFAPSA-N 372.468 5.074 0 1 FKAF Cc1cc(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587698862 JZRNHNPUYRYRGA-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF Cc1cc(Cl)cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587783563 CMUXCWVBQRCLNX-FMIVXFBMSA-N 374.871 6.274 0 1 FKAF C[C@H]1c2ccccc2CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587819227 UKKVTPNALFUIOZ-MTJIALIYSA-N 374.297 5.068 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc(Cl)c1 587865181 RWAAXFMPCBXKTG-UHFFFAOYSA-N 367.758 5.005 0 1 FKAF COc1ccc(-c2ccc(-c3nc4c(C)cc(C)cc4[nH]3)cc2)cc1OC 587928857 NYWYYPDLQZKISH-UHFFFAOYSA-N 358.441 5.531 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2cccc(C(=O)O)c2[nH]1 587957579 OCVUWJQYUCRLTR-UHFFFAOYSA-N 374.481 5.179 0 1 FKAF CCc1ccc([C@]2(C3CC3)c3ccsc3CCN2Cc2cccnc2)cc1 962994467 DHHFGRQAAWFCBX-DEOSSOPVSA-N 374.553 5.417 0 1 FKAF CCOc1ccccc1CN1CCC(F)(F)[C@@H](CCc2ccccc2)C1 1772598068 QJNCKYRRHNPTRE-FQEVSTJZSA-N 359.460 5.175 0 1 FKAF Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)Nc1cccnc1Cl 1772636650 OGWRBZVWTMDHSO-UHFFFAOYSA-N 373.843 5.511 0 1 FKAF Clc1ccc(Oc2ccc(Nc3n[nH]c4cccnc34)cc2Cl)cc1 1772645539 OBHHDJWXDSZVMF-UHFFFAOYSA-N 371.227 5.801 0 1 FKAF O=C1CCCC2=Nc3ccc4ccccc4c3[C@H](c3ccc(F)cc3F)[C@@H]12 1857579638 BDSQEWOLDRMDTE-XZOQPEGZSA-N 361.391 5.705 0 1 FKAF COc1nc2ccc(CSc3ccc4ccccc4c3)cc2nc1OC 1857635207 ZYWCTWNYYGXLAZ-UHFFFAOYSA-N 362.454 5.093 0 1 FKAF COc1ccc2c(c1)OC13Oc4cc(OC)ccc4C=C1CCCCC3=C2 1911572129 SALHNGCZJHCEPG-UHFFFAOYSA-N 362.425 5.226 0 1 FKAF COc1ccc2[nH]cc(-c3cccc(-c4c[nH]c5ccc(OC)cc45)n3)c2c1 2382220296 SDJPGZBJYBXYRH-UHFFFAOYSA-N 369.424 5.395 0 1 FKAF CCCCNc1c(-c2ccc(S[C@@H](C)CC)cc2)nc2ccccn12 36382299 HJVVKXSDFNVOSO-INIZCTEOSA-N 353.535 6.104 0 3 FKAF CSc1cccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1 8536365 OJHOIAOSQSNDFE-UHFFFAOYSA-N 361.445 5.667 0 1 FKAF CC1=Nc2ccccc2/C1=C\c1nc(-c2ccc(C(F)(F)F)cc2)oc1O 18270975 IKOYWCSTYAXJCF-GDNBJRDFSA-N 370.330 5.713 0 1 FKAF CCCCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C=O)c2c1 28651257 PNMOQUCAKCISMW-UHFFFAOYSA-N 373.418 6.789 0 1 FKAF CN1CCN([C@@H]2C[C@H](c3ccccc3F)c3ccc(Cl)cc32)CC1(C)C 36238025 BEJFETGIBLFMPS-GHTZIAJQSA-N 372.915 5.082 0 1 FKAF Clc1ccc([C@H]2Cc3[nH]c4ccc(Cl)cc4c3S2)c(Cl)c1 42922150 HFQCRCRYOJMKDY-OAHLLOKOSA-N 354.689 6.518 0 1 FKAF S=c1oc2ccccc2c(=S)n1Cc1ccc(Cl)c(Cl)c1 53297818 FOLBYLWMMSCQMG-UHFFFAOYSA-N 354.283 6.048 0 1 FKAF O=C1Nc2ccc(Br)cc2/C1=C\c1ccc2cccccc1-2 59260965 XOYQROSFUKTOQG-LICLKQGHSA-N 350.215 5.047 0 1 FKAF COc1ccc(-c2cc3cc(/C=C\c4ccccc4)ccc3oc2=O)cc1 103181240 CDDDVUODUYOENR-FPLPWBNLSA-N 354.405 5.639 0 1 FKAF O=C(Nc1ccccc1F)Nc1ncccc1OCc1cccc(Cl)c1 206947550 BKUQWPREXBFGIN-UHFFFAOYSA-N 371.799 5.097 0 1 FKAF Cc1cc(O)c([C@]2(C)CC/C(=C\Br)[C@@H]2C)cc1Br 212051194 DVSNCQPMSPUOAI-SFZLUGTCSA-N 374.116 5.430 0 1 FKAF CC(C)(C)SC[C@@H](C(=O)c1ccc(Cl)cc1)n1cnc2ccccc21 473108874 PHBRNQCTMVNKPM-SFHVURJKSA-N 372.921 5.645 0 1 FKAF O=c1cc(COc2ccccc2)occ1Oc1c(Cl)cccc1Cl 473115581 UKGYQLYVJUGKFZ-UHFFFAOYSA-N 363.196 5.318 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc3ncccc3c2[nH]1 587012149 PEFGMFWBWAUMBZ-UHFFFAOYSA-N 356.454 5.134 0 1 FKAF Cc1cc(C)c2[nH]c(-c3sc4cc(Br)ccc4c3N)nc2c1 587033658 ZLOTZQWCTKBAEH-UHFFFAOYSA-N 372.291 5.406 0 1 FKAF Clc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c(Cl)n1 587053930 JNEVBLOWIZAWTJ-SNAWJCMRSA-N 359.043 5.742 0 1 FKAF CC1=Cc2nc3cccc4c3c(c2[C@@H](c2ccccc2)C1)-c1ccccc1C4=O 587207467 LDQCCPFDEWGXJW-OAQYLSRUSA-N 373.455 6.385 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc(C)c(C)c3)cc1)O2 587402978 JPOSWBDIQGUAKU-QHCPKHFHSA-N 373.452 5.693 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CCC1CCCC1)(C(C)(C)C)CC2=O 587491869 ZVQNEMXNAMNRHQ-HSZRJFAPSA-N 358.522 6.065 0 1 FKAF O=C1C[C@H](c2ccc(F)c(OC(F)F)c2)Oc2c1ccc1c2CCCC1 587501143 AMTMQNBWQQRVEM-QGZVFWFLSA-N 362.347 5.012 0 1 FKAF O=C1C[C@](c2ccc(F)cc2)(C2CCCC2)Oc2c1ccc1c2CCCC1 587504536 HNTQOMDVUJAEKC-XMMPIXPASA-N 364.460 5.755 0 1 FKAF Nc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507888 COFRICDPRQXMPE-VWLOTQADSA-N 369.464 5.057 0 1 FKAF Cc1ccc([C@@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587516001 STZRGVRESBEWBY-RUZDIDTESA-N 369.464 5.178 0 1 FKAF O=C1C[C@@]2(CCCc3[nH]c4ccccc4c32)Oc2c1ccc1c2CCCC1 587527762 WVZLHFXIIHNWNB-XMMPIXPASA-N 357.453 5.244 0 1 FKAF Cc1cc(C)cc(OCc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587565136 YFDYYQALUSHMGW-UHFFFAOYSA-N 352.381 5.371 0 1 FKAF CCCc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622817 UNBZYUNHOWJDLL-UHFFFAOYSA-N 372.241 5.565 0 1 FKAF O=C(c1cccs1)c1c(C(F)(F)C(F)(F)F)[nH]c2cc(F)ccc12 587634233 VJGVIGPXQOPDOE-UHFFFAOYSA-N 363.282 5.254 0 1 FKAF CCOC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc([C@H](C)CC)cc12 587641532 KCFOUGAQGQZUJB-CYBMUJFWSA-N 367.420 5.233 0 1 FKAF C[C@H]1C[C@@H](C)C[C@H]([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 587813402 CAYLZQZLCLDVLL-LPWQZMBTSA-N 368.334 5.410 0 1 FKAF COc1ccc(/C=C/Cc2nc3ccc(C(C)(C)C)cc3[nH]2)c(OC)c1 587929765 PVGSVAJYIHDJLM-VOTSOKGWSA-N 350.462 5.134 0 1 FKAF Cc1ccc2c([C@H]3c4ccsc4CCN3Cc3ccco3)c(C)[nH]c2c1 962714957 SIJSUCBSTLXCDK-JOCHJYFZSA-N 362.498 5.587 0 1 FKAF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(C2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962720922 XRNKVIOIUIMWFR-LDHQQMMRSA-N 359.554 5.231 0 1 FKAF CC1=C2CC[C@H]3C4=CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O 1772573389 CUYUNQYRSINPNC-AJUGKFRQSA-N 361.529 5.709 0 1 FKAF c1ccc(C2=NO[C@H](c3ccc([C@H]4CC(c5ccccc5)=NO4)cc3)C2)cc1 1857655572 GADAQTQNJJHYMF-PSWAGMNNSA-N 368.436 5.418 0 1 FKAF CCOC(=O)c1c(-c2ccccc2OC)oc2c1cc(O)c1ccccc12 1857769759 CMMNCDJCXYHTSZ-UHFFFAOYSA-N 362.381 5.144 0 1 FKAF O[C@@H](c1ccc(F)cc1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 61907906 HEAXPRLCJSVWQR-HNNXBMFYSA-N 353.340 5.050 0 3 FKAF Clc1ccc(Cn2cc(Cn3ccnc3)c3ccccc32)c(Cl)c1 3648611 VXQOPYNUJVAJNJ-UHFFFAOYSA-N 356.256 5.241 0 1 FKAF CCCC/C=C/[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 5977935 IBXMHGFEWDRXEA-BLRBJFNZSA-N 361.407 5.923 0 1 FKAF COc1ccc([C@@H]2Sc3ccc(Cl)cc3-n3cccc3C2=O)cc1 13739842 NXHRTAAEAHLYHU-IBGZPJMESA-N 355.846 5.169 0 1 FKAF CCC[C@@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)OC)c[nH]c1=S 28355944 XEHHNMUNGMWQNR-LBPRGKRZSA-N 359.278 5.029 0 1 FKAF CC[C@H](/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC)cc1OC 28567194 DGXPEUXJZKKSSH-URWSZGRFSA-N 351.273 6.218 0 1 FKAF Clc1ccc(CO[C@@H](Cn2cnc3ccccc32)c2ccccc2)cc1 28821354 JHHGRJZUQOIWCE-QFIPXVFZSA-N 362.860 5.648 0 1 FKAF Cc1cc(-c2ccc(Cl)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@H]2C 29043420 GOUMJTGDXMAQKS-GFCCVEGCSA-N 373.327 7.148 0 1 FKAF CSCCN1CCc2ccc3[nH]cc(-c4cccc(Cl)c4)c3c2C1 45369481 STLISYOYOJJOCW-UHFFFAOYSA-N 356.922 5.209 0 1 FKAF CCC(=O)c1cc2c(o1)C[C@@H]1CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]1(C)C2 58504409 BRNOSSNGWQHLRG-DQTBYFELSA-N 370.533 5.191 0 1 FKAF Cc1ccc(-n2c(=S)oc3ccc(Br)cc3c2=S)cc1 64549776 FBWKFTSEYOYHHX-UHFFFAOYSA-N 364.289 5.753 0 1 FKAF CCCC/C=C\C/C=C\C/C=C\CCCCCc1cccc(O)c1C(=O)O 70455223 XHGATLCYJAUBJV-AGRJPVHOSA-N 370.533 6.832 0 1 FKAF biogenic,in-vitro CCn1c2cc(OCC(C)C)ccc2c2cc[n+](Cc3ccccc3)c(C)c21 95597305 OXVAKNGJAUMWID-UHFFFAOYSA-N 373.520 5.493 0 1 FKAF O=C(c1ccc(Cl)cc1)N1CC[C@@H]2C[C@@H]1c1cc(-c3ccccc3)ccc12 102803276 HPTURIHUUJWJEK-AUSIDOKSSA-N 373.883 6.082 0 1 FKAF Cc1ccncc1-c1ccnn2c(-c3cc(Cl)cc(Cl)c3)cnc12 199760213 PYWFJDTXDXPMHK-UHFFFAOYSA-N 355.228 5.074 0 1 FKAF CC(C)=CCC[C@H](C)c1ccc(C)c2c1OCN(CCCCC(=O)O)C2 200034542 UIJKTSTVYIMEFI-KRWDZBQOSA-N 359.510 5.252 0 1 FKAF Cc1nc(C)c(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)s1 587012144 PDYXBNNBRDRBFK-UHFFFAOYSA-N 351.500 5.378 0 1 FKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c1 587047951 DAKUERZEBXBIJV-UHFFFAOYSA-N 370.884 5.170 0 1 FKAF FC(F)(F)CCc1ocnc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 587092541 RELXPHNJMYKJIX-UHFFFAOYSA-N 350.127 5.020 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(C=COc3cc(C)c(Cl)cc31)CC2=O 587459324 CLTFXHBKLABKGY-NRFANRHFSA-N 370.832 5.073 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc([C@@H]3CCCCO3)s1)CC2=O 587493816 HYVPCVLESWNIMZ-ZWKOTPCHSA-N 372.486 5.354 0 1 FKAF COc1ccc2[nH]cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1C 587527346 TYJKZQKHHRNALO-OAQYLSRUSA-N 361.441 5.070 0 1 FKAF Cc1ccsc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587533491 VWXVUKRVDVUEMO-DEOSSOPVSA-N 374.505 5.844 0 1 FKAF CC/C=C\CCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587818838 KFMLMEDTZOSOLG-DUIDPNDXSA-N 354.307 5.690 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1Cc1c(Cl)cccc1Cl 587870110 ZKGZXBKRZKCYQO-UHFFFAOYSA-N 365.235 5.443 0 1 FKAF Fc1cc(Br)ccc1-c1nc(-c2cccc(Cl)c2)cs1 587920666 MSLMUZNDOAGZRN-UHFFFAOYSA-N 368.658 6.032 0 1 FKAF CCCC/C=C\c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587965340 KGKKBNKCHRAYCL-FPLPWBNLSA-N 365.315 5.954 0 1 FKAF Brc1ccc2c(c1)[C@]1(CC3C[C@H]4CC1C[C@@H](C3)C4)NC1(CC1)C2 961614868 MPDOKWDTLTWVRW-AWYSFWDHSA-N 372.350 5.169 0 1 FKAF C[C@H](c1cc(F)cc(F)c1)[C@@H]1c2ccsc2CCN1Cc1ccco1 962717966 WASVXHZOWWXRMZ-ZUOKHONESA-N 359.441 5.522 0 1 FKAF Cc1cc2c(c(C)c1Cl)[C@]1(CCO2)c2ccc(F)cc2C[C@H]2CCCN21 963119839 ZPUVNDWYDSJCHS-VGSWGCGISA-N 371.883 5.143 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(Cl)c3)cc(-c3ccsc3)n2)c1 1857564394 CQWQDYLIYUEKOJ-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF COc1ccc(C=C(Oc2ccccc2)c2nc3ccccc3s2)cc1 2356520760 YEQXWKBTICPBIP-UHFFFAOYSA-N 359.450 5.882 0 1 FKAF O[C@H](c1ccc2ccccc2c1)c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 61908861 AHIIIZXNFQILTC-LJQANCHMSA-N 368.358 5.330 0 3 FKAF O=C(O[C@@]12CCCN(C1)/C(=C/c1cccc(Cl)c1)C2)C1CCCCC1 96018905 VJTNCYKEIUYTEG-UBXANZILSA-N 359.897 5.043 0 3 FKAF Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)s1 3228917 BVBRSCHCKSCQCG-GOSISDBHSA-N 354.862 5.481 0 1 FKAF Cc1c(Cc2ccc3ccccc3c2)nc(SC2CCCCC2)[nH]c1=O 5891038 FVUKODIDFCJWHJ-UHFFFAOYSA-N 364.514 5.247 0 1 FKAF Oc1ccc(C2=CCN(C[C@@H]3CCC=C(c4ccc(O)cc4)C3)CC2)cc1 13603955 VMTIAIJOJOQAEM-GOSISDBHSA-N 361.485 5.071 0 1 FKAF CCCS[C@@H]1Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 27079359 GKVFDSTWCKBSBV-NRFANRHFSA-N 369.505 6.634 0 1 FKAF Cc1ccc2c(c1)nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F 28710960 SRSUKDULZRJRLY-UHFFFAOYSA-N 370.349 5.616 0 1 FKAF Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccncc2)cc1 28890242 MPLQLGYBGSLDNE-UHFFFAOYSA-N 372.447 5.557 0 1 FKAF C[C@]12CC=C3[C@H](CCC4=C(SCCl)C(=O)CC[C@]34C)[C@@H]1CCC2=O 29342389 IJJJTAZQYVCQBF-RTFQWSFESA-N 364.938 5.265 0 1 FKAF CCCCCC[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 38424041 SLICLEJAYRJPGX-NRDYJASWSA-N 370.577 6.284 0 1 FKAF Clc1ccc(Cl)c(CO[C@@H](CCn2ccnc2)c2ccco2)c1 71329748 GHVVLOAROSRIFB-KRWDZBQOSA-N 351.233 5.131 0 1 FKAF CCCCC[C@H](C)NCc1coc(-c2cccc(Oc3ccccc3)c2)n1 72101318 IGZHJFBMZPDACO-SFHVURJKSA-N 364.489 6.192 0 1 FKAF CCC(CC)Nc1cc(C)nc2c(-c3ccc(OC)cc3Cl)c(C)nn12 72113282 AJUSHXCANNUJMW-UHFFFAOYSA-N 372.900 5.276 0 1 FKAF CCCCN(Cc1ccccc1)Cc1coc(-c2ccccc2OCC)n1 72183576 DCJOLOATHKLPMG-UHFFFAOYSA-N 364.489 5.543 0 1 FKAF C[C@H]1[C@@H]2C[C@H](C[C@H]1NCc1coc(-c3cccc4ccccc34)n1)C2(C)C 72184880 VYTSVVOMRCIQKP-UNFFWIPXSA-N 360.501 5.655 0 1 FKAF COc1cc2cc(-c3cccc(-c4ccccc4)c3)[n+](C)cc2cc1OC 95557794 CMOLZPXAGYBTGB-UHFFFAOYSA-N 356.445 5.016 0 1 FKAF CCOC(=O)c1ccc(/C=C(C)/C=C/[C@]23C[C@]2(C)CCCC3(C)C)cc1 100769580 FUVXBSOHMHZVTE-YKZRFIAOSA-N 352.518 6.429 0 1 FKAF CCCN1[C@@H]2CC[C@@H]1CC(OC1c3ccccc3C=Cc3ccccc31)C2 101948618 HIJJSFHNNDTSNI-NHCUHLMSSA-N 359.513 5.682 0 1 FKAF Brc1ccc(C[n+]2ccc(-c3cc4ccccc4o3)cc2)cc1 299844511 BSYGMMQIIILMEI-UHFFFAOYSA-N 365.250 5.198 0 1 FKAF Cc1nc(C2CC2)sc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587011457 HDHPTNFUTDPZAK-UHFFFAOYSA-N 355.410 5.484 0 1 FKAF Cc1cc(Br)cc2nc([C@@H]3SCCc4sccc43)[nH]c12 587037414 VGALBMWEVNHDIU-CQSZACIVSA-N 365.321 5.074 0 1 FKAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(C)c(Br)ccc3[nH]2)n1 587080540 QGJQLRWKLLISJQ-QMMMGPOBSA-N 367.678 5.122 0 1 FKAF Cc1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1Br 587085679 APVNPCVRKDOVJC-UHFFFAOYSA-N 372.653 5.502 0 1 FKAF Cc1cc(Br)c2[nH]c(Cc3ccccc3C(F)(F)F)nc2c1 587097858 LBRMZCSAGDAEJN-UHFFFAOYSA-N 369.184 5.243 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc5c(c4)OCO5)nc13)-c1ccccc1C2=O 587101579 HFGYZLAKENKCJB-UHFFFAOYSA-N 365.388 5.150 0 1 FKAF COc1cccc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587106665 KKECBZCWEMJUIK-UHFFFAOYSA-N 351.405 5.046 0 1 FKAF Cc1ccc(C)c2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc12 587128595 CAYPNYXSTBJUNY-QMMMGPOBSA-N 374.769 5.514 0 1 FKAF COc1c(F)ccc(F)c1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587133269 RCVMUQPSSOAWGG-UHFFFAOYSA-N 366.367 5.096 0 1 FKAF CCCCCC[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587207188 JPESENVPQUSFNL-MRXNPFEDSA-N 355.481 6.446 0 1 FKAF CC[C@H](C)C[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354105 MVHQNEPAHLUHFX-UPNLOYSTSA-N 356.437 5.475 0 1 FKAF CC[C@H]1CN=C(Nc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)S1 587361181 SATVMBBECKJBCA-SFHVURJKSA-N 359.498 5.294 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3cc(Cl)ccc31)CC2=O 587463660 WOZVJFOUCTWFQU-OAQYLSRUSA-N 372.848 5.031 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CCC1(C)C 587479553 IOKZXOSERRTIGF-HSZRJFAPSA-N 350.458 5.178 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3)cc1O)CC2=O 587492868 YXTGWEHHTXNKKF-HSZRJFAPSA-N 374.436 5.424 0 1 FKAF O=C1C[C@@H](c2cc(Cl)c(O)c(Cl)c2)Oc2c1ccc1c2CCCC1 587496069 BLNGPAUGRHSBBN-KRWDZBQOSA-N 363.240 5.284 0 1 FKAF O=C1C[C@H](c2c(O)cc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 587500220 YYQRZQQQAUYGBO-QGZVFWFLSA-N 363.240 5.284 0 1 FKAF C[C@@]1(Cc2nc3ccccc3s2)CC(=O)c2ccc3c(c2O1)CCCC3 587535676 NOZCMVOYASSLHS-QFIPXVFZSA-N 363.482 5.142 0 1 FKAF CC(C)[C@H]1CC[C@H](C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603102 KXIBBLGOUODVPA-OFNACDPKSA-N 366.457 5.185 0 1 FKAF CCC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc([C@H](C)CC)cc12 587639951 AYONENLYNUXPIU-CYBMUJFWSA-N 373.418 6.960 0 1 FKAF CC(C)C[C@@H]1CC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587818371 RBIZMDMKFDCDDB-LXIYXOSZSA-N 354.307 5.164 0 1 FKAF Cc1ccc2c(ccc3nc([C@H](C)Oc4ccc5ccccc5c4)[nH]c32)n1 587950500 CDUHRGFHQBOBJH-HNNXBMFYSA-N 353.425 5.713 0 1 FKAF CC/C(=C/c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(C)cc1 587966587 JFYONCCHEZAUGM-WQLSENKSSA-N 364.798 6.494 0 1 FKAF Cc1cccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)s2)c1 653691046 BNDANJTWKXXZLG-UHFFFAOYSA-N 371.465 5.846 0 1 FKAF CCCN1[C@H](c2ccc(OC3CCCCC3)nc2)c2ccccc2C[C@H]1C 963230848 BEFWESQXXJBGRI-HOYKHHGWSA-N 364.533 5.539 0 1 FKAF CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCC(C)=CC(=O)O 2356467784 FCZDHYMKYYBHKU-DGEVVOEJSA-N 362.510 5.140 0 1 FKAF CC(C)=C[C@H]1C[C@](C)(C=Cc2cccc3c2NCC3)c2cc3[nH]ccc3cc21 2356468510 GKHRETADSMOCEN-LVXARBLLSA-N 368.524 6.561 0 1 FKAF CC1(C)OC[C@H]([C@]2(C)C=C3CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC2)O1 2356774884 FJZIWOWYBFGDBI-KGVYPZOGSA-N 362.554 5.078 0 1 FKAF Cc1nc(C2CCCCC2)c(-c2ccccc2)c(N2CCOC2=O)c1C 12477664 GEPXBAZJEZUKEV-UHFFFAOYSA-N 350.462 5.370 0 3 FKAF CCOC(=O)c1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)cc1 3832116 VETJNHBFETZIMU-UHFFFAOYSA-N 368.436 5.587 0 1 FKAF CC[C@]1(c2ccccc2)Sc2cccc(Cl)c2-n2cccc2C1=O 5846894 OKAFEYOTXFKGMK-HXUWFJFHSA-N 353.874 5.725 0 1 FKAF N=C(N)c1ccc2cc(C(=O)Nc3cccc(CC4CCCC4)c3)ccc2c1 13532802 IBIOBBJOSFKEEH-UHFFFAOYSA-N 371.484 5.109 0 1 FKAF C/C=C\C[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 29463869 BSJYFMFPTGYKFE-PXDRNWIDSA-N 361.485 6.369 0 1 FKAF CC(C)[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 42920120 QZKIXDSVUHUHBH-HXUWFJFHSA-N 353.849 5.535 0 1 FKAF CCCCc1ccc(C(=O)c2cn(CCC)c3ccccc23)c2ccccc12 43060710 XHIXPRIGTFMZHJ-UHFFFAOYSA-N 369.508 6.778 0 1 FKAF O=C(Nc1nccs1)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49072909 RYWBGLSCOFFRJE-CYBMUJFWSA-N 369.317 5.753 0 1 FKAF Cc1c(C)c2c(c(-c3cc(-c4ccc(O)cc4)on3)c1O)CCC(C)(C)O2 72110301 QUDDDLRFENNEGN-UHFFFAOYSA-N 365.429 5.140 0 1 FKAF CC1(C)C=Cc2cc([C@H](c3ccccc3)n3cnc4ncccc43)ccc2O1 72177173 ZZNXOVWFKQYWAT-QFIPXVFZSA-N 367.452 5.253 0 1 FKAF CCCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 84654947 OTXFQGQBMBVGOO-XSLNCIIRSA-N 372.637 7.143 0 1 FKAF C[C@@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]12 141093474 PCZKIPYRGNBQOP-CUJPTFFXSA-N 363.545 5.933 0 1 FKAF C[C@@H]1C(=O)S[C@](C)(Cc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)C1=O 169717844 CKHNVMICQILYMB-NPMXOYFQSA-N 366.526 5.431 0 1 FKAF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1F)[C@@H]1C(=O)CC(C)(C)CC1=N2 169722126 OTMUTOPOXJKLLB-LEWJYISDSA-N 368.427 5.518 0 1 FKAF COC(=O)C[C@H](C)CC/C=C(/C)CCCc1coc(Cc2ccoc2)c1 238770091 GOGZLXLTQRESLM-IZTKXNPESA-N 358.478 5.712 0 1 FKAF O=C(O)c1ccccc1/C=C/c1nc2ccc(Sc3ccccc3)cc2[nH]1 586879740 NDXZMSPYMCTIQR-JLHYYAGUSA-N 372.449 5.583 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(C)c(C)ccc4[nH]3)cc2)CC1 586880502 LNMNEUAYMKSTLN-MXVIHJGJSA-N 360.545 7.311 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 586897943 AQNGMNSDNCCMMS-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF Cc1ccc(SCc2nc3cc(F)cc(Br)c3[nH]2)c(C)c1 586963358 JBZHCBSVHIEALT-UHFFFAOYSA-N 365.271 5.374 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4c(C)ccc(C)c4[nH]3)c2o1 587004291 QWSGBKSDQYWLTE-UHFFFAOYSA-N 355.235 5.664 0 1 FKAF Cc1c(-c2ccc(N(C)C)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587104961 XRIBFOZZNXMEJP-UHFFFAOYSA-N 364.448 5.488 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1 587250974 VKWROJPBIHKMPX-UHFFFAOYSA-N 371.337 5.637 0 1 FKAF CCCCCC[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358492 YRKFSCZQNAGTTI-GGAORHGYSA-N 370.464 6.009 0 1 FKAF CC(C)CC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359033 ZJJSJFQRCBEQKJ-GMAHTHKFSA-N 368.448 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCc1ccc(Cl)c(Cl)c1)O2 587372975 CHHSKRUXOVSNGN-ZDUSSCGKSA-N 364.272 5.241 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1C)CC2=O 587478197 BLGSOOQVMDPURH-RUZDIDTESA-N 372.464 5.562 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(C)C)c2ccccc21 587484537 SRBOUBYXKMYWPQ-MBSDFSHPSA-N 350.458 5.349 0 1 FKAF C[C@]1(CC23CC4CC(CC(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 587526682 WVIPTCGUOGTLHA-DXERTFODSA-N 364.529 5.896 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C2CCC2)cc1 587603816 RUDOYFYSFLWMAA-XUZZJYLKSA-N 372.420 5.363 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ccsc12 587619901 VRJJGMFEDCOQLA-RXVVDRJESA-N 374.417 5.310 0 1 FKAF Cc1c(-c2ccc(F)c(Br)c2)[nH]c2ccc(F)c(Cl)c12 587629727 ZHZXDHSLBSXTCM-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF Cc1[nH]c2cccc(F)c2c1C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 587633168 ZIUSYAXGNWTDDM-NYYJTOMGSA-N 362.286 5.601 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c([C@@H]3CCCN3C(=O)OC(C)(C)C)c2c1 587640973 CXTRPTYSZVKZEJ-LIRRHRJNSA-N 356.510 6.062 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccccc3OC)c2c1 587641004 HZMRAPKPFBNNEQ-GFCCVEGCSA-N 357.400 5.859 0 1 FKAF C[C@@H]1CC=C[C@](C)([C@H]2CCC[C@H](Cc3cc(O)cc(CCCO)c3)C2)C1 2356469214 DVJZTXYZOKNCCM-RANWGYSASA-N 356.550 5.658 0 1 FKAF CC(C)=CCCC(C)=CCC=C(C)[C@H](C)CC(=O)c1ccc(O)cc1O 2356499616 HFXVGVAUUXMKQO-LJQANCHMSA-N 356.506 6.336 0 1 FKAF CC(C)CNc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 2382231997 IGRFCTHNZOPDJQ-UHFFFAOYSA-N 353.249 5.019 0 1 FKAF Nc1ccc2c3ccc(N)cc3n(Cc3cccc(OC4CCCC4)c3)c2c1 2382250288 NGEUEPWIHQNXNO-UHFFFAOYSA-N 371.484 5.329 0 1 FKAF CCCCc1c(-c2ccccc2OC)ncn1Cc1cc(F)ccc1F 198626797 JJHYCFMNFIHUEA-UHFFFAOYSA-N 356.416 5.228 0 3 FKAF C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43CCSC3CC3)[C@H]1CCC2=O 14947084 KVBZDKAEXUSUQM-PJIZGREPSA-N 370.558 5.273 0 1 FKAF COc1cccc2c1CC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C2 26271634 MNNMWEOINNJPCF-HSZRJFAPSA-N 357.497 5.255 0 1 FKAF CC(C)(C)CCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1F 26404418 FYEAEWBCMGKNDA-UHFFFAOYSA-N 352.450 5.497 0 1 FKAF Oc1cccc([C@H]([C@H](c2cccc(O)c2)C(F)(F)F)C(F)(F)F)c1 26975800 WBMFKTNARZVIHV-OKILXGFUSA-N 350.258 5.090 0 1 FKAF NC[C@H](O[C@H](c1ccccc1)c1ccc(Cl)cc1Cl)c1ccccc1 45358835 LOIQBFGRVRSEIL-LEWJYISDSA-N 372.295 5.799 0 1 FKAF CCO[C@@H](c1ccccc1Cl)[C@@H](SC(C)(C)C)n1cnc(C)c1 45393820 GMYJUCDCAUXRBZ-DLBZAZTESA-N 352.931 5.653 0 1 FKAF CCCCCCc1ccc(-c2nc(N)[nH]c2-c2ccc3ccccc3c2)cc1 84730241 WEZQRGGYMRLNIB-UHFFFAOYSA-N 369.512 6.602 0 1 FKAF Oc1cccc(-c2cc(-c3cccs3)nc(-c3ccccc3Cl)c2)c1 95555830 YQANAFGIJFVUDN-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF c1ccc2cc(CSc3nnc(-c4ccc5nc[nH]c5c4)o3)ccc2c1 96283004 PMHJKCKTMDELON-UHFFFAOYSA-N 358.426 5.058 0 1 FKAF Cc1cccc2c1OCN(c1ccc3c(=O)cc(-c4ccccc4)oc3c1)C2 103156815 DEPNNMIZJXIGNU-UHFFFAOYSA-N 369.420 5.125 0 1 FKAF Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CC[C@H](c1ccccc1)C2 103288194 LHRFEXUPWXOOKM-HNNXBMFYSA-N 367.901 5.487 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C/C=C\CCC(=O)NCCO 231934743 GEEHOLRSGZPBSM-DCFBTPTBSA-N 371.565 5.573 0 1 FKAF CCCc1ccc(OCc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 473152889 WSVOJMVGEFFPDR-GOSISDBHSA-N 351.490 5.233 0 1 FKAF Cc1ccc(SCc2nc3cc(Br)cc(C)c3[nH]2)c(C)c1 586963795 QCOYHSFOYQUSMX-UHFFFAOYSA-N 361.308 5.543 0 1 FKAF Clc1ccc(OCc2nc3ccc(Cl)cc3[nH]2)c(Br)c1 586977408 NEDQDDIVRWEQBZ-UHFFFAOYSA-N 372.049 5.211 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2c(Cl)cnc(Cl)c2[nH]1 587063017 ZPIXYNYHSDHJNK-SNVBAGLBSA-N 356.640 5.448 0 1 FKAF C[C@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)n1cc(Cl)cn1 587081904 IIFYGQSWMUHDCY-GFCCVEGCSA-N 354.866 5.173 0 1 FKAF COc1cc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2cc1C 587237987 BFDRTSLUTZGLNT-UHFFFAOYSA-N 372.472 5.490 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccc3cccnc13)CC2=O 587461439 KFJRKDAZJQSIAD-SFHVURJKSA-N 367.832 5.253 0 1 FKAF CCCOc1ccc(CC)cc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587476730 AMLHQKKEJPEJKS-QFIPXVFZSA-N 368.473 5.402 0 1 FKAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 587616681 LYNWKQYCTAIUAA-AUSIDOKSSA-N 372.376 5.150 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC2CCCCC2)N1 587813934 QTRYUQQVXPLWBY-ORAYPTAESA-N 368.334 5.698 0 1 FKAF CC(C)=CCC[C@H](C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817246 AUECGTZFPJLMHM-LXIYXOSZSA-N 354.307 5.546 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(F)c1 587865314 UIQBHQFOMBCTHV-UHFFFAOYSA-N 350.315 5.096 0 1 FKAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(Cl)c(Cl)cc2[nH]1 587936159 ZROZGQHLUANXTE-UHFFFAOYSA-N 359.256 5.451 0 1 FKAF Cc1cc(C)c(/C=C2\C(=O)Nc3c2cccc3-c2cncc3ccccc23)[nH]1 653680474 WXLKKRABYICDIH-JAIQZWGSSA-N 365.436 5.339 0 1 FKAF CCOc1ccc(C)cc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772578796 PJBBXXHXHMHHOA-SFHVURJKSA-N 367.470 5.124 0 1 FKAF Clc1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2SC3)c1 1857651830 VBQWKBJZQHKLHV-UHFFFAOYSA-N 360.269 5.800 0 1 FKAF Oc1ccc(C(=C(F)c2cccc(C(F)(F)F)c2)c2ccccc2)cc1 1857742141 XJOUGYUNFQGCQZ-UHFFFAOYSA-N 358.334 6.297 0 1 FKAF O=C(Nc1cccc(F)c1)c1cc(O)nc2cc(-c3ccsc3)ccc12 1857744308 BFOLBEBMLDXRQP-UHFFFAOYSA-N 364.401 5.060 0 1 FKAF C=Cc1ccccc1[C@@H](CCCC)C(=O)c1ccc(OCCN(C)C)cc1 1911580673 ZZZXTLPGKCMAEE-HSZRJFAPSA-N 365.517 5.427 0 1 FKAF Cc1c(-c2ccc(O)cc2)cnc(O)c1[C@H]1[C@H](C)[C@@](C)(O)C[C@@H](C)C[C@H]1C 2356709950 CVKLZCJJHAKETK-QUSOWSRISA-N 369.505 5.005 0 1 FKAF C[C@H](c1ccc(Cl)c(F)c1)c1ccc2c(c1)Nc1ccccc1S2 2382255230 OAOWKVKGNMGZTR-GFCCVEGCSA-N 355.865 6.839 0 1 FKAF Cc1cnc([C@@H](CO)Cc2cccc3ccccc23)cc1OCC(C)(C)C 601974 FUMIMDKBFZWMIN-HXUWFJFHSA-N 363.501 5.287 0 1 FKAF CC(C)CCNCCc1ccc2ccc(CCNCCC(C)C)cc2c1 27705349 FXGBIIMDDCKQRB-UHFFFAOYSA-N 354.582 5.196 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CCCC(=O)O)CC(=O)O 40506136 UOLUHTRPMPNLOG-PSQVOQMNSA-N 362.510 5.918 0 1 FKAF CCCO[C@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1ccnc1 45337672 ASCCFFNEODFVAH-SJORKVTESA-N 352.931 5.735 0 1 FKAF CCn1c2ccccc2c2c3c(ccc21)CN([C@H](C)c1ccccc1)CO3 49808545 IZNMYFUKRYSZIA-QGZVFWFLSA-N 356.469 5.728 0 1 FKAF Fc1ccc(Oc2cncc(NC3CCCCCCCCCCC3)n2)cc1 82068917 QHTOMLTYQVVCIQ-UHFFFAOYSA-N 371.500 6.493 0 1 FKAF COc1ccc(Nc2nccc3c2cc(-c2ccccc2)n3C)c(OC)c1 82083851 AVLGFGJVLXUNNG-UHFFFAOYSA-N 359.429 5.001 0 1 FKAF CC[C@@H](C)Nc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(F)cc2)n1 82164860 LKFSFUMKWMGARV-LLVKDONJSA-N 356.470 5.233 0 1 FKAF Cc1ccc(Nc2nnc(-c3ccc(N(C)C)cc3)c3ccccc23)cc1 95594002 GZZSSDDBWSJSEN-UHFFFAOYSA-N 354.457 5.415 0 1 FKAF C1=CN2C(=NC3=C(CCC/C3=C\c3ccccc3)[C@@H]2c2ccccc2)S1 102929130 ROLNZFSJFPBXCB-JHNUBAFKSA-N 356.494 6.139 0 1 FKAF CCC[C@@H](C(=O)Nc1ccc(-c2ccnc(C)c2)cc1)c1cccc(C)c1 103273517 QDOQHWPLAMELGL-HSZRJFAPSA-N 358.485 5.888 0 1 FKAF Cc1cccc([C@H](CC(C)C)C(=O)Nc2ccc(-c3ccnc(C)c3)cc2)c1 103273529 BMQXLFXKDZKRAB-DEOSSOPVSA-N 372.512 6.134 0 1 FKAF Cc1noc(C)c1-c1ccc2c(c1)CNC[C@H]2c1ccc(Cl)c(Cl)c1 114515099 DYQJFQKEXMXHKX-KRWDZBQOSA-N 373.283 5.500 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1F 141037576 RKHGVHQBSBJMLD-OMWZLPMVSA-N 367.508 5.538 0 1 FKAF C[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cccnc5)=CC[C@H]4[C@@H]3CC[C@@H]2C1 141105213 MFZFIPYAPCDNNJ-SMIQMRAOSA-N 365.561 5.869 0 1 FKAF CCc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc2c1 586878332 DEAKBUYNUBBBFY-UHFFFAOYSA-N 356.425 5.466 0 1 FKAF Clc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c(Cl)n1 587047943 CDGODNXREIRITE-RNFRBKRXSA-N 373.070 5.843 0 1 FKAF Cc1ccnc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc12 587052062 WSIPGLPOQKEBKA-UHFFFAOYSA-N 369.855 6.407 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2n1 587083835 ODZKBGSYLKSQED-UHFFFAOYSA-N 362.864 5.638 0 1 FKAF CCOc1cc(/C=C/c2nc3cc(C)c(F)cc3[nH]2)ccc1OC(F)F 587131148 URDIZSGEBBRQGC-FNORWQNLSA-N 362.351 5.181 0 1 FKAF Cc1c(Cl)ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc12 587244968 TZGCULZFXAPPRJ-UHFFFAOYSA-N 361.832 5.444 0 1 FKAF O=C1c2ccc(O)cc2OC2(CCCCCCC2)[C@H]1c1ccc(F)cc1 587356030 YHDAMMFLMFFVNJ-FQEVSTJZSA-N 354.421 5.373 0 1 FKAF COc1cccc(-c2cc([C@@H]3CCCN(C)C3)nc3c2oc2ccccc23)c1 587362002 AEKJOVHVLBUEHV-QGZVFWFLSA-N 372.468 5.466 0 1 FKAF CCCC/C=C/c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364983 HHLXPHUKDMOBQD-IZZDOVSWSA-N 357.453 6.860 0 1 FKAF COc1cccc(-c2c([C@@H]3CCCOC3)cnc3c2oc2ccccc23)c1 587365865 KJERBRUGANPFAK-MRXNPFEDSA-N 359.425 5.551 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(C1CCCC1)CC2=O 587466471 LLFJVAZFZSGCSN-QHCPKHFHSA-N 368.448 5.535 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1C[C@@H]1c1ccc(F)cc1)CC2=O 587472950 WZJWHLXPCNUQRX-FGSXEWAUSA-N 354.421 5.011 0 1 FKAF O=C1C[C@](Cc2ccccc2)(C2CCCCC2)Oc2c1ccc1c2CCCC1 587524805 NEPVVAPGQOKMEJ-AREMUKBSSA-N 374.524 6.092 0 1 FKAF CC(C)(C)c1[nH]c2cccc(F)c2c1[C@](O)(c1ccccc1)C(F)(F)F 587633583 GZOGNIAQFNBVAH-LJQANCHMSA-N 365.370 5.403 0 1 FKAF Cc1ccc(O)c(C(=O)c2c(-c3cccc(F)c3)[nH]c3cccc(F)c23)c1 587634165 CIMRQAULXIZTOS-UHFFFAOYSA-N 363.363 5.358 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2CCC2)N1 587820993 SBYRZNNLRSPILG-XCLFUZPHSA-N 374.297 5.166 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(Cl)c2)n1 653745676 CHHFQDBXBBOHIG-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF NC(=O)c1ccc([C@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653794002 ZLPNCECXKJLMOJ-KRWDZBQOSA-N 367.880 5.027 0 1 FKAF CCC(C)(C)c1ccc(OCCCCCCCCN2CCCCC2)cc1 1857538522 MKYGVSXNJQDMLW-UHFFFAOYSA-N 359.598 6.580 0 1 FKAF Oc1ccc2c(c1)Cc1c(-c3ccccc3O)cc(-c3ccccc3F)nc1-2 1857601153 XAVLKSKICGEBFL-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CC(=O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4C(C)(C)C(O)=CC[C@]4(C)[C@H]3CC[C@]12C 2356366216 CDRZQEYAKWRWRP-BCQAKVGSSA-N 356.550 6.232 0 1 FKAF CC1=CCCC(C)(C)[C@H]1Cc1c(O)cc(C=Cc2ccc(O)cc2)cc1O 2356543526 PFXULLDGLDNOOD-NRFANRHFSA-N 364.485 5.899 0 1 FKAF CC1(C)CCC[C@@]2(C)Oc3cc(C=Cc4ccc(O)cc4)cc(O)c3C[C@H]12 2356672549 NVDNWXIJCXLGEI-ISKFKSNPSA-N 364.485 5.788 0 1 FKAF COc1cccc(Nc2nccc3c2cc(-c2ccccc2OC)n3C)c1 74387015 UQASDSGYXMMHAO-UHFFFAOYSA-N 359.429 5.001 0 3 FKAF CCCc1c(-c2ccc(Cl)cc2)ncn1CCc1ccccc1OC 95565964 KDZCIJVWBSHWBC-UHFFFAOYSA-N 354.881 5.407 0 3 FKAF CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](C)C(C)C)cc1 775951 VISDEFZOPHDMBM-OAHLLOKOSA-N 356.510 5.537 0 1 FKAF O=C(O)CCCCCCCCCC/C=C\C[C@H](O)C=C=CBr 13379633 RBYYPRIJRZKHRI-AOVWDFDISA-N 373.331 5.343 0 1 FKAF CCC[C@H](C)n1c(CC)nc2c(-c3ccc(Cl)cc3Cl)ccnc21 13479586 CQKJDRAMFGINOY-LBPRGKRZSA-N 362.304 6.329 0 1 FKAF CC[C@H]1CC=C[C@@H]2[C@@H](c3cc(C)ccc3F)N(Cc3ccccc3)C(=O)[C@H]12 13830145 CCRXMTHZKHHYRR-LBVMUVSTSA-N 363.476 5.436 0 1 FKAF CCCCCc1cc2c(c(O)c1C(=O)OC)[C@@H]1C=C(C)CC[C@@H]1C(C)(C)O2 14722854 PZGQMCZVNQZFFP-SJORKVTESA-N 372.505 5.522 0 1 FKAF biogenic CCOC(=O)c1ccc(OCCCCCCc2c(CC)noc2CC)cc1 27863463 FEMKOGPTVPTOPE-UHFFFAOYSA-N 373.493 5.158 0 1 FKAF CC[C@H]1OC(=O)[C@@H]2C=C3CCCC[C@H]3[C@H](/C=C/c3ccc4ccccc4n3)[C@H]12 34802855 KVSBHLJFJHRTJE-DJDHPZHPSA-N 373.496 5.562 0 1 FKAF COc1ccc(Oc2ccc(-c3c(C)[nH]c(C)c(Cl)c3=O)cc2)cc1 45210960 XFARJISCCJWNNQ-UHFFFAOYSA-N 355.821 5.113 0 1 FKAF CCCCC/C=C\C/C=C\CCCCCCCCCc1cc(O)cc(O)c1 72177074 QEMSHYYBCNAAQA-HZJYTTRNSA-N 372.593 7.844 0 1 FKAF CCC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CO5)[C@@H](C)C[C@]4(C)[C@H]3CC[C@@]21C 119116011 DWXSJAAPPYYVFJ-FVWNDUBVSA-N 360.582 5.575 0 1 FKAF biogenic CC(C)=C[C@H]1C[C@](C)(/C=C/c2ccc3cc[nH]c3c2)c2cc3cc[nH]c3cc21 139421391 STKFDMFOGFXEHA-UZCQPXAQSA-N 366.508 7.074 0 1 FKAF CC/C=C/C/C=C\C/C=C\CCCCCCCCCc1ccc(C=O)[nH]1 209607528 VEOUIFWXVMDSPJ-NSAMXNATSA-N 355.566 7.349 0 1 FKAF CC1(C)[C@H]2CC[C@]1(C)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O 586991378 UNOQHLORDYAJAC-LFPIHBKWSA-N 355.437 5.327 0 1 FKAF COc1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1Cl 587033701 ZTGFTYGGUXDJEG-UHFFFAOYSA-N 369.877 5.233 0 1 FKAF Fc1cc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2cc1F 587063628 RBENLKGXDQWKRD-UHFFFAOYSA-N 370.786 5.741 0 1 FKAF FC(F)(F)Oc1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587072965 AGUPJDNAKOFQHX-UHFFFAOYSA-N 366.770 5.389 0 1 FKAF Cc1ccc(F)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1Cl 587104576 YWCFWPNQPIZIAU-UHFFFAOYSA-N 373.814 6.214 0 1 FKAF Fc1cc(C(F)(F)F)ccc1-c1nc2ccc(Br)cc2[nH]1 587108965 JVGXZLZGKXLUEM-UHFFFAOYSA-N 359.120 5.150 0 1 FKAF Cc1cc(Br)cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587151812 IVUPEJALLPCESL-NWDGAFQWSA-N 363.205 5.183 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2)cc1 587242759 RBVIDQVQFNTWQG-UHFFFAOYSA-N 369.346 5.698 0 1 FKAF COc1cccc(-c2cc(CC(=O)C(C)C)nc3c2oc2ccccc23)c1 587366078 QQRGMKANLIHWEY-UHFFFAOYSA-N 359.425 5.424 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CSc1ccccc1)(C(C)C)CC2=O 587493636 UDERCGOLQJRYBC-JOCHJYFZSA-N 370.514 5.497 0 1 FKAF C[C@]1(Cc2ccc(F)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587507256 VHZFNLJNZRVNQL-NRFANRHFSA-N 358.840 5.325 0 1 FKAF CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2cc(Cl)c(F)cc12 587628835 RJWUMOYUIMIULQ-UHFFFAOYSA-N 352.192 5.458 0 1 FKAF O=C(c1ccc(Cl)c(Cl)c1)c1c(C(F)F)[nH]c2cccc(F)c12 587633563 GULQWQPHRSDZCY-UHFFFAOYSA-N 358.146 5.782 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(C(C)=O)c2c1 587638686 IPGJBBFRSNLBGY-LBPRGKRZSA-N 370.290 6.314 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](C)c3ccccc32)N1 587816793 DJFZZHCZXBZJJG-IZDJOXEWSA-N 374.297 5.263 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(F)c(F)c2)(C(C)(C)C)N1 962948882 ORIGCWKAGLIPEI-CMJOXMDJSA-N 368.471 5.660 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(Cl)cc3)c3oc4ccccc4c3n2)c1 1772583495 QCAHPLATQHEADV-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF CC(C)=CCc1c(C)cc(O)c(CC=C(C)C)c1Oc1cc(C)cc(O)c1 2356323220 AHGOROWMVKDFOH-UHFFFAOYSA-N 366.501 6.524 0 1 FKAF COCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC[C@@H](C)CC(=O)OC 2356516104 LKUFKKPWSGIMCX-WGQQHEPDSA-N 350.543 5.391 0 1 FKAF Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)c1 14975393 DLPARMNJOHFOLU-UHFFFAOYSA-N 372.428 5.338 0 1 FKAF CCCCCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc21 27643736 RVLXSTGARMINHX-UHFFFAOYSA-N 369.508 6.914 0 1 FKAF CC(C)c1ccc(C(=CC[C@@H](N)C(=O)O)c2ccc(C(C)C)cc2)cc1 28770746 QANDPCXAFPDYIN-JOCHJYFZSA-N 351.490 5.167 0 1 FKAF CC(C)c1cccc2c(C(=O)O)c(O)c(Cc3ccc(Cl)cc3)nc12 35087093 GWTUJJVNZIYLNO-UHFFFAOYSA-N 355.821 5.006 0 1 FKAF C[C@]12CC[C@@H]3[C@@H](CCC4=C(SCCl)C(=O)CC[C@@]43C)[C@H]1CCC2=O 36289304 KEVDHIRSYSCSSY-WKCOJUMOSA-N 366.954 5.345 0 1 FKAF COc1cc(OC)c(OC)cc1CCCCCCCCCCCCO 40564824 WEWZCBUHLJORTL-UHFFFAOYSA-N 352.515 5.148 0 1 FKAF CC[C@H]1[C@@H](C)CC[C@]23CCN(CC4CCC4)[C@H](Cc4ccc(OC)cc42)[C@H]13 40690433 GBDVUTUHHVNACT-OUZCYRFOSA-N 367.577 5.436 0 1 FKAF FC(F)(F)c1ccc(C2(OCc3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1 45322547 MYNMNBPZOKCPBO-YOFSQIOKSA-N 361.407 5.032 0 1 FKAF CCCOc1cccc(-c2cc(Oc3ccccc3F)cc(C(=N)N)c2)c1 87613157 VHISSPKJDAMYAN-UHFFFAOYSA-N 364.420 5.358 0 1 FKAF CCCCCc1cc(OC)c2cc(Cc3cccc(Cl)c3)c(=O)oc2c1 95578741 LRUUZTQRZXANAR-UHFFFAOYSA-N 370.876 5.779 0 1 FKAF ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H]([C@@H]4C=C[C@H]3C4)[C@]1(Cl)C2(Cl)Cl 102873774 QBYJBZPUGVGKQQ-DLSTZLATSA-N 364.914 5.270 0 1 FKAF CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cc(F)ccc21 206810323 UGSBUBYCSSIFIU-UHFFFAOYSA-N 359.444 6.355 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586878404 HAOULIJOHDAQBG-UHFFFAOYSA-N 370.349 6.363 0 1 FKAF CCc1oc2ccccc2c1-c1nc2cc(F)cc(Br)c2[nH]1 586903241 HSTZTXQDHSEFDO-UHFFFAOYSA-N 359.198 5.440 0 1 FKAF Cc1cccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082253 KUMFLIAJMRNTDL-UHFFFAOYSA-N 369.855 6.407 0 1 FKAF CSc1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587195698 HTTAAMDDGAZIPW-UHFFFAOYSA-N 359.498 5.492 0 1 FKAF CC(C)(C)c1ccc([C@H]2CC(=O)Cc3nc4cccc5c4c(c32)CC5)cc1 587215427 NVQSDNYQLNMGSC-HXUWFJFHSA-N 355.481 5.278 0 1 FKAF COCC[C@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587362810 KZZADYGXQLCVQS-OAHLLOKOSA-N 373.452 5.723 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2cc(F)ccc21 587469705 BXRPWHPWUCYWEV-DEOSSOPVSA-N 374.411 5.373 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1O[C@@H](C)CC)CC2=O 587488149 YOCGKQDBODUEQS-QKKBWIMNSA-N 354.446 5.229 0 1 FKAF O=C1C[C@@H](c2c[nH]c3c(Cl)cccc23)Oc2c1ccc1c2CCCC1 587496922 CKHNBINGTYIBGD-IBGZPJMESA-N 351.833 5.407 0 1 FKAF O=C1C[C@]2(CC[C@@H](c3ccc(F)cc3)C2)Oc2c1ccc1c2CCCC1 587504288 GXFUDROOJQUQEM-UZUQRXQVSA-N 350.433 5.376 0 1 FKAF CC[C@@H](C)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525219 UBGKLFAUVLJXHI-IVZQSRNASA-N 350.458 5.449 0 1 FKAF Cc1ccc2c(c1)[C@]1(CCS2)CC(=O)c2ccc3c(c2O1)CCCC3 587537594 IJPYYAIQTASBDI-QFIPXVFZSA-N 350.483 5.230 0 1 FKAF COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)F)cc1 587629645 VJRPQUZNAQPDAJ-UHFFFAOYSA-N 353.727 5.084 0 1 FKAF CC/C=C/CCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587819077 KTUHDJXXXMXREH-HLTRUZGLSA-N 354.307 5.690 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc(C(F)(F)F)cnc4[nH]3)ccc2c1 587935143 QBAYXAWTWXLBIE-LLVKDONJSA-N 371.362 5.290 0 1 FKAF CN(C/C=C/c1ccc(C(F)(F)F)cc1F)Cc1cccc2cc[nH]c12 1772589515 UAEHMUSXMZVLBJ-ZZXKWVIFSA-N 362.370 5.471 0 1 FKAF COc1cccc([C@@H]2Oc3ccc(F)cc3[C@H]2c2ccc(F)c(F)c2)c1 1857748067 OGHWHJKXKKYJGE-RTWAWAEBSA-N 356.343 5.378 0 1 FKAF CC[C@H](C)CCCCCCCC=C[C@H](C)[C@H](O)CCCCCC(=O)O 2356402374 FVAQKIAHIHAUHV-PCCBWWKXSA-N 354.575 6.352 0 1 FKAF CCCC=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356616797 GWOQCGQDMPZUMP-PAPGOJMGSA-N 368.605 6.839 0 1 FKAF Cc1ccc(-c2c(CC(=O)O)c(C)nc3sc4c(c23)CCCC4)cc1 3344821 RMFCWQIBAWKWIU-UHFFFAOYSA-N 351.471 5.086 0 3 FKAF CCCCCC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13671505 SUFKNLCDOHRDMW-SMUKYFJDSA-N 374.609 6.300 0 1 FKAF Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12 28703858 ZYKJTRDHLUBWPF-UHFFFAOYSA-N 366.471 5.251 0 1 FKAF COc1cccc2c1-c1ccc3c(c1[C@H]([C@@H]1C=CCC1)O2)C(C)=CC(C)(C)N3 29409624 BDZQBRNZPXXVRN-GYCJOSAFSA-N 373.496 6.369 0 1 FKAF Fc1ccc(-c2nc3cc(-c4ncccc4C(F)(F)F)ccc3[nH]2)cc1 38156650 RQCUNKDQCPGPAX-UHFFFAOYSA-N 357.310 5.450 0 1 FKAF FC(F)(F)c1ccc(Nc2noc3cc(-c4cccnc4)ccc23)cc1 45245545 FNBDRRWLIIBBNJ-UHFFFAOYSA-N 355.319 5.652 0 1 FKAF Cc1cc(=O)oc2c1ccc1oc(-c3ccccc3)c(-c3ccccc3)c12 45370006 SABJLYCXRRVRLN-UHFFFAOYSA-N 352.389 6.182 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OCC(C)(C)C)cc2)n1 72184820 XQXBSZGGAKXEET-QGZVFWFLSA-N 358.526 5.825 0 1 FKAF Cc1cc2c(c(O)c1C(=O)O)C[C@@H]1[C@](C)(CC[C@H]3C(C)(C)CCC[C@@]31C)O2 85870244 NGQPPHRBPAZXBM-DODAUVCRSA-N 372.505 5.335 0 1 FKAF biogenic O=C(O)C[C@@H](CC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 95573393 VYCRXVQVIWXTCT-HSZRJFAPSA-N 368.432 5.824 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2c1cccnc1 141909865 KSNHBAFYACINHV-OBUPQJQESA-N 353.550 5.569 0 1 FKAF Oc1ccc(Oc2c(-c3ccc(F)cc3)sc3cc(O)ccc23)cc1 143524358 MCTBDHKWASVVRV-UHFFFAOYSA-N 352.386 5.911 0 1 FKAF Cc1cc2[nH]c(C(=O)C3CCCCC3)c(-c3ccccc3)c2cc1C(=O)O 221357002 CMDDEVCEAHCQCH-UHFFFAOYSA-N 361.441 5.605 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1)[C@@H](CSCC)n1cnc2ccccc21 473097884 DLLKNDMLFNNWLF-UXHICEINSA-N 374.937 5.762 0 1 FKAF CC[C@@]1(C)C[C@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 586887301 FZRRUJIDGSMDLO-GTNSWQLSSA-N 351.288 5.264 0 1 FKAF CC[C@]1(C)C[C@@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 586892122 UFIGJELIMSKTJQ-IIBYNOLFSA-N 350.418 5.045 0 1 FKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C)cc2[nH]1 587034244 FTUNDNSPSQMEME-INIZCTEOSA-N 363.486 5.357 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)cc2C1 587034697 YHBULWBMIUOUBG-SECBINFHSA-N 352.381 5.315 0 1 FKAF FC(F)(F)c1cccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587084265 WFFZWONHJUMVBS-UHFFFAOYSA-N 373.765 5.964 0 1 FKAF Cc1ccc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1C(F)(F)F 587094584 COIZAFPATVGWCE-UHFFFAOYSA-N 374.284 5.380 0 1 FKAF COc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(C(F)(F)F)c1 587095682 QGNKECXFWGRDQZ-UHFFFAOYSA-N 361.150 5.564 0 1 FKAF COc1ccc(Cc2cnc3cccc4c3c2-c2ccccc2C4=O)cc1 587107851 WRPSJYSEWBTJDJ-UHFFFAOYSA-N 351.405 5.046 0 1 FKAF CC[C@@H](C)[C@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587364835 DHEIWPIDDBVYBO-CRAIPNDOSA-N 371.480 6.733 0 1 FKAF CCCCC(=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587366183 UDEQVYDKJIMUIY-UHFFFAOYSA-N 359.425 6.030 0 1 FKAF Cc1cc(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587509729 WQQOXKSFRMCSPX-SFHVURJKSA-N 361.268 5.887 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C\C2CCCCC2)N1 587813424 CLVLFBLDXVCLHZ-LOTMQTPTSA-N 366.318 5.474 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2CCCC3)N1 587819507 IMMCTBFLYSSNNL-FKIZINRSSA-N 374.297 5.091 0 1 FKAF Cc1cc(C)cc(C[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587821006 SFELWJLKEAXKDC-GUYCJALGSA-N 362.286 5.023 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cs2)N1 587844475 ARUAYBXAWXAJHQ-AYVTZFPOSA-N 374.706 5.101 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2c1 587962613 XZWHLLPPHFBUSI-AAEUAGOBSA-N 350.771 5.581 0 1 FKAF COc1ccc([C@@H]2C(=O)c3ccc(OC)cc3[C@H]2C2CCCCC2)cc1 653723919 OAEQPFJUVPPCGZ-YADHBBJMSA-N 350.458 5.348 0 1 FKAF Cc1cc(Cl)ccc1[C@H]1c2ccsc2CCN1Cc1cccn1C 962378827 UTKHZZDIAFNMMS-FQEVSTJZSA-N 356.922 5.196 0 1 FKAF CCC(C)(C)[C@@]1(c2ccc(F)cc2Cl)NCCc2c1sc(C)c2C 963021550 JSCQNACLAHWWFH-FQEVSTJZSA-N 365.945 5.983 0 1 FKAF O=C(O)CCc1cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2o1 1772627241 WQMNEUGVOZUFMI-UHFFFAOYSA-N 350.292 5.016 0 1 FKAF Clc1ccc(NCc2ccc(CNc3ccc(Cl)cc3)s2)cc1 1857563737 HKIWYTCUAOXINJ-UHFFFAOYSA-N 363.313 6.279 0 1 FKAF C[C@@H](CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356456928 XAFQBISUIKGUJZ-XEXRFLHGSA-N 360.538 5.037 0 1 FKAF CC(=O)OC(C)(C)[C@@H]1CCC(C)=CCCC(C)=CCCC2=C[C@H]1OC2=O 2356541509 JRHSHBMAWLBQTD-WOJBJXKFSA-N 360.494 5.043 0 1 FKAF CCCC/C=C(\c1ccc(O)cc1)c1ccc(OCCN(CC)CC)cc1 13605663 RIMXSFHITCMBCL-PGGKNCGUSA-N 367.533 5.735 0 1 FKAF COc1c(C(C)=O)c(O)c(OCc2ccc(C(C)C)cc2)c2occc12 13682368 HTSCHMRLDFRKFC-UHFFFAOYSA-N 354.402 5.052 0 1 FKAF CC(C)(C)c1ccccc1Sc1c(O)cc(-c2ccccc2)oc1=O 14943751 XGPLSSMARBREMF-UHFFFAOYSA-N 352.455 5.461 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C=CCC[C@]4(C)[C@H]3C=C[C@@]21C 33820928 JAPZTFSJMJNCBN-LVVAJZGHSA-N 356.550 6.088 0 1 FKAF C[C@]12CC[C@@H]3[C@H](C[C@@H](c4ccccc4)C4=CC(=O)CC[C@]43C)[C@@H]1CCC2=O 36289206 LVJHBULIPHDPOH-QZOZEGTJSA-N 362.513 5.481 0 1 FKAF CC(=O)Nc1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)n1 66101318 QMTMQDHWDFOLDR-UHFFFAOYSA-N 358.228 5.076 0 1 FKAF CC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1Cc1ccc(C)cc1 72124272 CDEORBLGVMIYOR-HSZRJFAPSA-N 360.888 6.304 0 1 FKAF CCCCCNc1ncnc2c1nc(-c1ccsc1)n2CCCCC 82186471 HNEAZECPOSKBSO-UHFFFAOYSA-N 357.527 5.347 0 1 FKAF Cc1cccc2[nH]c(C(=O)OC(C)C)c(Sc3ccc(Cl)cc3)c12 95583364 NQUGJIUWSHYXNM-UHFFFAOYSA-N 359.878 5.846 0 1 FKAF Cc1cccc2cc3c(nc12)SC(Nc1ccc(Cl)cc1)=NN=C3 98083629 YQZWHZBHPBJJJI-UHFFFAOYSA-N 352.850 5.104 0 1 FKAF Cc1ccc([C@@H]2C[C@H]3CC[C@H]([C@H]2c2cc(-c4ccccc4)no2)N3C)cc1 100773692 SSEYJTZXHQMBJU-ADGBJGEGSA-N 358.485 5.384 0 1 FKAF Cc1ccc(C(=O)c2c(N)sc(Br)c2CC(C)(C)C)cc1 103226696 UIGMNPUUVREBQR-UHFFFAOYSA-N 366.324 5.221 0 1 FKAF CC(=O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4C(C)(C)C(O)=CC[C@]4(C)[C@H]3CC[C@]12C 118914166 CDRZQEYAKWRWRP-KNGVNFKHSA-N 356.550 6.232 0 1 FKAF biogenic,in-vitro CC(C)(C)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587049527 MIGLLIIYCAWUPQ-WDEREUQCSA-N 360.288 5.833 0 1 FKAF Fc1cc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2cc1C(F)(F)F 587081458 WXHHFSTZXZSCAN-CQSZACIVSA-N 356.706 5.050 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H](C1CCCC1)CC4)-c1ccccc1C2=O 587100671 ODDXSFHKKMDXBR-INIZCTEOSA-N 353.465 5.975 0 1 FKAF CC(=O)c1ccc(Cc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587213490 JEPQFUUTHMGDGF-UHFFFAOYSA-N 363.460 5.794 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cncc(Cl)c3[nH]2)c1 587239462 YXLWLTVSNMMBDK-UHFFFAOYSA-N 363.852 5.221 0 1 FKAF Cc1c(Br)cc2nc(-c3cc(N)cc4ccccc34)[nH]c2c1C 587252185 SKOKLFMZJQKNKK-UHFFFAOYSA-N 366.262 5.345 0 1 FKAF CCCCCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587398032 ABIWEQNRPPNBCG-NRFANRHFSA-N 353.462 5.243 0 1 FKAF CCCCCc1ccc([C@@]2(C3CC3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587405046 ITGHPOQXXIWTGA-XMMPIXPASA-N 363.501 5.581 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1csc(-c3cccs3)n1)CC2=O 587496145 RVTNSPZVWXZDRL-MRXNPFEDSA-N 371.483 5.236 0 1 FKAF O=C1C[C@H](c2ccc(C(F)(F)F)c(F)c2)Oc2c1ccc1c2CCCC1 587509943 UKOXMFBVKQOMHC-GOSISDBHSA-N 364.338 5.430 0 1 FKAF CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCC)c1 587526470 TZLBCZNOOIUVSF-JOCHJYFZSA-N 366.457 5.069 0 1 FKAF CC(C)(Sc1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587531224 GRIQOUFALJTMNY-HXUWFJFHSA-N 352.499 5.470 0 1 FKAF CCOC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2ccc([C@@H](C)CC)cc12 587640672 ICKRGNOSXYQAGH-VIFPVBQESA-N 363.326 5.512 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2Cl)N1 587728424 SCFQHCAZJHVXHR-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF CCc1cc(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587817580 CTRRXROKJMEGGA-CWTRNNRKSA-N 362.286 5.083 0 1 FKAF CC1=C(C)C[C@H]([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587818848 FTRURWXOUAWFGO-VEVIJQCQSA-N 352.291 5.300 0 1 FKAF CCC[C@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587844447 ALDCCYAAXPOQHH-DIFFPNOSSA-N 368.315 5.228 0 1 FKAF COc1cccc(-c2cccc(-n3c(O)cc(-c4ccc(C)cc4)c3O)c2)c1 587936195 ATWOAVMATPGWIA-UHFFFAOYSA-N 371.436 5.540 0 1 FKAF Brc1cnc2[nH]c(/C=C/c3cccc4ccccc34)nc2c1 587969438 STSYLEQTWOALGF-CMDGGOBGSA-N 350.219 5.044 0 1 FKAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@@H]2[C@@H]1c1ccc(Cl)cc1 653887534 OJVYJIIXANIOCP-ACIOBRDBSA-N 374.871 5.481 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1c(F)ccc(Cl)c1Cl 963105300 MBMCRGZUORZRGW-SGTLLEGYSA-N 354.227 5.382 0 1 FKAF Cc1n(Cc2ccc3ccccc3c2)cc[n+]1Cc1ccc2ccccc2c1 1772598197 AFYWCAILLFORLV-UHFFFAOYSA-N 363.484 5.487 0 1 FKAF CC(=CCc1c(O)cc(C)c(C=O)c1O)CC[C@]1(C)CC[C@@H](C)C(=O)[C@H]1C 2356703766 SZXAFXOYHGJSFA-QDOIMOTRSA-N 372.505 5.129 0 1 FKAF C[C@@H](c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)Nc1ccccc1S2 2382251926 UAERQNAGMQQZGP-ZDUSSCGKSA-N 371.427 7.065 0 1 FKAF Cc1ccc(Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)cc1 61921040 TZKAIRGYDGKWEL-UHFFFAOYSA-N 367.279 6.207 0 3 FKAF CC(C)CCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774907 OXQVYHYEHIDBPX-UHFFFAOYSA-N 358.825 5.031 0 1 FKAF CCC[C@H](C)n1c(CC)nc2c(-c3ccc(C(C)=O)cc3Cl)ccnc21 13479619 ZGWRELXRQFHBLR-ZDUSSCGKSA-N 369.896 5.878 0 1 FKAF CC(=O)Nc1oc(-c2cncc(-c3ccsc3)c2)nc1-c1ccccc1 13538087 FLTSMTWOJPJKPZ-UHFFFAOYSA-N 361.426 5.091 0 1 FKAF CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC3CCCC3)c2)s1 13673395 KRJISXKXXCKOEU-UHFFFAOYSA-N 363.530 6.097 0 1 FKAF CC(=O)OC1=C(c2ccccc2)Oc2cc3ccccc3cc2-n2cccc21 13757581 AVMJKXRMUNAYOA-UHFFFAOYSA-N 367.404 5.412 0 1 FKAF CC1CCN(c2cccc(Nc3nccc(-c4cccs4)n3)c2)CC1 26649483 YGXOZXGWKKBFSN-UHFFFAOYSA-N 350.491 5.185 0 1 FKAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2c2cc(-c4ccccc4)no2)N3C)cc1 36270956 SSEYJTZXHQMBJU-WOOVXOMTSA-N 358.485 5.384 0 1 FKAF O=c1snc(Nc2cccc3ccccc23)n1-c1cccc2ccccc12 40891830 SSUMUOGJJRGONZ-UHFFFAOYSA-N 369.449 5.344 0 1 FKAF O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N(CC1CC1)C[C@H]1CCCO1 40914431 LRVFSGYUCXZPOA-OAQYLSRUSA-N 369.892 5.038 0 1 FKAF Cc1ccc(C(=O)c2nc(NCC3CCCCC3)nc3ccsc23)s1 48999353 ZUIYNLUWOGEEJV-UHFFFAOYSA-N 371.531 5.284 0 1 FKAF FC(F)(F)c1ccc(Nc2nccc(-c3ccnc4ccccc34)n2)cc1 49033300 OKUQNGBVKPVEKM-UHFFFAOYSA-N 366.346 5.454 0 1 FKAF O=C(Nc1ccc(N2CCCCC2)cc1)Nc1ccnc2c(F)cccc12 71340997 YQSSAVQNHDJIFV-UHFFFAOYSA-N 364.424 5.008 0 1 FKAF Clc1cccc(CNc2cc(Oc3cccc4ccccc34)ncn2)c1 82068249 GCENXRXHVQEGLZ-UHFFFAOYSA-N 361.832 5.688 0 1 FKAF Cc1ccccc1-c1nc(NC2CCCC2)ncc1-c1nc(C)c(C)s1 82177113 WBNHDFKCCMAMDE-UHFFFAOYSA-N 364.518 5.547 0 1 FKAF CCc1ccccc1Oc1ncccc1NC(=O)Nc1ccc(F)cc1F 95591322 SBMVKIALGJUPLA-UHFFFAOYSA-N 369.371 5.359 0 1 FKAF Cc1cc(C(C)(C)C)cc(C)c1CN(C)[C@H](C)c1cccc2ccccc12 96930055 WXCGLKJLEYYBFB-HXUWFJFHSA-N 359.557 6.947 0 1 FKAF O=C(Nc1ccccc1)Oc1ccc([C@@H]2CC(=O)c3ccccc3O2)cc1 98082363 QIZOOAIDPINZAA-NRFANRHFSA-N 359.381 5.004 0 1 FKAF CC1(C)[C@H]2C[C@H]1CC[C@H]2CNc1cc(Oc2cccc3ccccc23)ncn1 104930748 ONLLDIMFIZFCOL-NSHGMRRFSA-N 373.500 5.906 0 1 FKAF Fc1ccc(CSc2nc(N3CCCCC3)nc3ccccc23)cc1 299833254 KIJJJUVILKHHDW-UHFFFAOYSA-N 353.466 5.052 0 1 FKAF COc1cc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2cc1C 586882512 WMPJFZHJEGDIBV-UHFFFAOYSA-N 370.452 5.395 0 1 FKAF Cc1ccc2c3c(cc(Cc4ccc(Cl)cc4)nc13)-c1ccccc1C2=O 586991947 BNVKLPMEXSTQFO-UHFFFAOYSA-N 369.851 5.999 0 1 FKAF COc1ccc(F)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586995704 NLNQJPQRRQQASI-UHFFFAOYSA-N 369.395 5.569 0 1 FKAF c1ccc(Oc2ccc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c3c2)cc1 587015786 BDLVTOHXTRCESC-GOSISDBHSA-N 363.442 5.330 0 1 FKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(C(C)(C)C)cccc2[nH]1 587066344 LROVQKIIEBQVTR-UHFFFAOYSA-N 363.892 6.280 0 1 FKAF Clc1cc(Cl)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1 587081460 WYZDKRPQOHAEJN-UHFFFAOYSA-N 350.636 5.526 0 1 FKAF COc1ccc(/C=C/c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587106145 FTHXAOHXKZFTKC-FMIVXFBMSA-N 363.416 5.625 0 1 FKAF Cc1c(F)cc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1F 587133402 VISSGCOHOPYYGM-UHFFFAOYSA-N 351.194 5.196 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4cccc(Cl)c4[nH]3)ccc2F)cc1 587139270 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371.209 5.700 0 1 FKAF O=C1c2ccccc2-c2cc(CCC(F)=C(F)F)nc3ccc(O)c1c23 586985980 IPKSRDSHSNQVID-UHFFFAOYSA-N 355.315 5.162 0 1 FKAF FC(F)(F)c1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2cc1Cl 587084674 QFXKPFBQWWRYKE-UHFFFAOYSA-N 366.557 5.604 0 1 FKAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(F)cnc4[nH]3)cc2F)c1 587142772 CNOHCAMXFDLUSM-UHFFFAOYSA-N 371.774 5.232 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C(C)=O)CC3)c1 587367781 VQMSNFYBFNZITB-INIZCTEOSA-N 357.409 5.275 0 1 FKAF Cc1ccc(C(F)(F)F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509947 UMLYHFLHJPUDOI-IBGZPJMESA-N 360.375 5.599 0 1 FKAF O=C(O)[C@@H]1CCCC[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2cc(F)ccc12 587632696 HYBQVJBLBDLPEL-JKSUJKDBSA-N 371.839 5.986 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc(C(F)(F)F)ncc4[nH]3)ccc2c1 587934813 OUSISXVHLZBQOZ-LLVKDONJSA-N 371.362 5.290 0 1 FKAF FC(F)(F)C(=C[C@@H]1NCCc2cccc(-c3ccccc3)c21)C(F)(F)F 962665052 JOVNOYWTXQUMCQ-HNNXBMFYSA-N 371.324 5.591 0 1 FKAF CCCCCC[C@@]1(c2ccccn2)c2ccc(F)cc2C[C@@H]2CCCN21 963100595 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5.485 0 1 FKAF COc1ccc([C@H](Cc2ccncc2)c2ccncc2)cc1OC1CCCC1 837556 VTEPWFOMRKHXNI-JOCHJYFZSA-N 374.484 5.181 0 1 FKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCCc1cccc2ccccc12 2012940 AGAUXKOLMLDNTA-UHFFFAOYSA-N 374.528 6.451 0 1 FKAF Clc1ccccc1C(n1ncc2ccccc21)n1ncc2ccccc21 5888297 DRQXTWXIFCGWDN-UHFFFAOYSA-N 358.832 5.135 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1[C@@H](C(=O)O)CC(C)=C[C@H]21 26837263 UQRMVLZMWMWTOL-GQIGUUNPSA-N 358.478 5.047 0 1 FKAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCCCCCCCCO)O2 28388501 FCXSTDYTRKHGRK-HSZRJFAPSA-N 362.554 5.904 0 1 FKAF COC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 28708232 ULOWZIQCEGBTDH-UHFFFAOYSA-N 357.497 5.414 0 1 FKAF in-vivo O=C1C[C@H](c2cccc(F)c2)c2c(ccc3cc(Br)ccc23)O1 29136139 MHYWAYRZXSMECA-MRXNPFEDSA-N 371.205 5.182 0 1 FKAF Oc1ccc(/C(=C(\F)c2cccc(C(F)(F)F)c2)c2ccccc2)cc1 95587102 XJOUGYUNFQGCQZ-VXPUYCOJSA-N 358.334 6.297 0 1 FKAF CC1(C)CC2=Nc3cc4c(cc3[C@H](c3cccc(F)c3)C2=C(O)C1)OCO4 104100703 KLPZDQWQZPGPAM-FQEVSTJZSA-N 365.404 5.405 0 1 FKAF Cc1noc(C)c1-c1cc(/C=C/c2ccccc2)c2nc(C3CC3)[nH]c2c1 219409758 ZHEKNGPBYHOWGN-CMDGGOBGSA-N 355.441 5.883 0 1 FKAF Cc1ccc(NC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)cc1 299829239 UHPMHJFSPMABIS-UHFFFAOYSA-N 360.461 5.482 0 1 FKAF CCCC1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCC1 586877682 KFWUSCCQPTUBLC-UHFFFAOYSA-N 350.306 5.822 0 1 FKAF Cc1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cc1Br 586886230 OPWWKEUWDCWHBP-KUHUBIRLSA-N 353.263 5.005 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(CCc3cc4ccccc4o3)nc2c1 586903749 MJZDKELROCRUEC-UHFFFAOYSA-N 364.754 5.767 0 1 FKAF C[C@H](Oc1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106307 LCNLFSDEBBVDSI-HNNXBMFYSA-N 351.405 5.586 0 1 FKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(Cl)cc2[nH]1 587162093 CJSBAKLEXQZJPQ-UHFFFAOYSA-N 350.780 5.253 0 1 FKAF Cc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Cl 587197240 BMSSZIJGTWYTSJ-OAHLLOKOSA-N 351.878 5.089 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C4CCCCC4)cc1)[C@@H](C2)C3=O 587445544 LATFJHMARLBWSW-GBXCKJPGSA-N 362.469 5.406 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)c(Cl)cc1F)CC2=O 587468585 YGMJGTYIWDSBQI-HXUWFJFHSA-N 362.828 5.326 0 1 FKAF CCCOc1ccc(C)cc1[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587477406 CBNGSSQBWISDQZ-NRFANRHFSA-N 354.446 5.148 0 1 FKAF CC(C)COc1cccc(OCc2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587565466 BHAKHTKTTGPUKW-UHFFFAOYSA-N 365.260 5.484 0 1 FKAF COc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2c(C)cc(Cl)cc12 587624418 LKUFSQXZSDQROC-UHFFFAOYSA-N 363.244 5.352 0 1 FKAF Cc1nc(C)c(-c2csc(-n3nc4cc3Oc3ccc(F)cc3-4)n2)s1 587875230 BWBPHXOTAXJSPT-UHFFFAOYSA-N 370.434 4.981 0 1 FKAF Cc1ccc(-c2csc(Cc3ccccc3Br)n2)cc1C 587920972 OJCRUECSLUEPGL-UHFFFAOYSA-N 358.304 5.780 0 1 FKAF CC(C)Oc1ccc(OC(C)C)n1CCCc1ccc(Cl)c(Cl)c1 587942805 ASPJGXXGFXRHMZ-UHFFFAOYSA-N 370.320 6.002 0 1 FKAF CC/C(=C/c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)c1ccc(C)cc1 587967618 OZGULJZHWHWAMF-QBFSEMIESA-N 354.837 5.262 0 1 FKAF O=C(CSCc1ccc(Br)cc1)c1c[nH]c2ccccc12 653726134 IEOUVPGEEKRZPN-UHFFFAOYSA-N 360.276 5.047 0 1 FKAF CC1(C)[C@H]2CC[C@@]1(C)[C@@]1(C2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962720923 XRNKVIOIUIMWFR-LGFFLQIISA-N 359.554 5.231 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2cccc(C)c2C)(C2CCCC2)N1 962943364 GRPJELOSVDDGOP-FNZWTVRRSA-N 372.556 6.143 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCc2cc(C)cc(C)c2)(C2CC2)N1 962953316 QQTWYGCDVRFMJZ-HFZDXXHNSA-N 372.556 5.947 0 1 FKAF CCOc1cc(C)c(C(=O)CCC(=O)OCc2ccccc2)cc1C(C)C 1857566560 LETXVXGHFAJPGT-UHFFFAOYSA-N 368.473 5.223 0 1 FKAF CCC(=C(c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1 1857583128 YCQBLTPGQSYLHD-UHFFFAOYSA-N 359.469 5.099 0 1 FKAF COc1ccc(C(=O)O[C@@H]2CC(C)=CCCC(C)=C[C@@H]3[C@H]2C3(C)C)cc1 2356784697 PSEUVXLMKIAASF-NJDAHSKKSA-N 354.490 5.569 0 1 FKAF Cc1ccc(-c2csc([C@](O)(c3ccccc3)C(F)(F)F)n2)cc1C 61897205 KEAUTUBZLBSVFV-GOSISDBHSA-N 363.404 5.225 0 3 FKAF Cc1[nH]c(=O)c2c(ccc3[nH]c(Nc4c(Cl)cccc4Cl)nc32)c1C 603772 YDEDKRCWCCZXBE-UHFFFAOYSA-N 373.243 5.072 0 1 FKAF COc1ccc([C@H](c2ccccc2)[C@@H](C)C(=O)c2c(C)cc(C)cc2C)cc1 1629261 FODRFNKXXDTGIV-NLFFAJNJSA-N 372.508 6.271 0 1 FKAF Cc1ccc([C@]2(c3ccc(Cl)cc3)c3ccccc3C3=NCCN32)cc1 5822974 NBNISSOBVHKYNY-QHCPKHFHSA-N 358.872 5.016 0 1 FKAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@H](C)C(C)=C3 6381567 HAZRABGQELJHSG-CYBMUJFWSA-N 354.446 5.033 0 1 FKAF C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1O)C(C)(C)CCC2(C)C 13738456 GKRNNOAJHCRGSF-UHFFFAOYSA-N 350.458 5.501 0 1 FKAF CC1=CCCC(C)(C)[C@@H]1CC/C(C)=C/CC[C@H](CO)CCCc1ccoc1 14515598 UJVZMYQCMKGVLL-VFXSEPTMSA-N 372.593 7.100 0 1 FKAF in-vivo CCCC[C@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)OS(=O)(=O)O 26162273 CXTXIOKJMBPYTQ-DOADOZAASA-N 372.571 5.554 0 1 FKAF CCC/C=C/CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 27763867 QWDZLNDAIUPCIA-WWTANLFGSA-N 354.534 6.682 0 1 FKAF CC(C)(CCCOc1ccc(CCCCCc2ccccc2)cc1)C(=O)O 28223951 RVWXXPYMQPARIG-UHFFFAOYSA-N 368.517 5.912 0 1 FKAF CCN(CC)CCC[C@H](C)Nc1nc2ccc(Cl)cc2n2cccc12 29571977 CDQPPKDSDRGCJT-HNNXBMFYSA-N 358.917 5.063 0 1 FKAF Cc1cc(-c2ccccc2Cl)nc(Nc2n[nH]c3ncc(F)cc23)c1C 43199868 ZHZPUYSNZQKXRF-UHFFFAOYSA-N 367.815 5.173 0 1 FKAF CC(=O)N1N=C(c2cccc3ccccc23)C[C@H]1c1ccc2ccccc2c1 66111953 YMNGQYYCAIINOT-VWLOTQADSA-N 364.448 5.691 0 1 FKAF O=C(NCCC1CCCCC1)N1C2=C(CCCC2)S[C@@H]2CCCC[C@H]21 72142430 FRFCVZLQVMCKFN-IEBWSBKVSA-N 362.583 5.812 0 1 FKAF O=C1C[C@H](c2cccs2)Sc2ccccc2N1C(=O)c1ccccc1 95591512 AALWXVPCUDHQST-GOSISDBHSA-N 365.479 5.159 0 1 FKAF COc1cc(/C=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1 103289079 MPUREFBGFHHVBA-KTKRTIGZSA-N 368.517 6.175 0 1 FKAF Cc1cc2c(cc1[C@@H](N=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 169715896 ZZFDQPLTFLJDEV-FQEVSTJZSA-N 365.473 5.898 0 1 FKAF O=C(O)CCCCCCCCCCC[C@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 231930524 CKZGRGZXFFNECL-BKYUPXSNSA-N 360.582 6.680 0 1 FKAF CSc1cccc(N=c2[nH]c(-c3cc(Cl)ccc3Cl)cs2)c1 473084217 FXFQPDWPWDCUMD-UHFFFAOYSA-N 367.326 6.004 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2ccc(F)c(Br)c2[nH]1 586884223 RMHOGCOZPXFUFD-UHFFFAOYSA-N 355.210 5.593 0 1 FKAF Cc1oc2c(c1-c1nc3ccc(SC(F)(F)F)cc3[nH]1)C(=O)CCC2 586902709 FLDMCRBONNXJNA-UHFFFAOYSA-N 366.364 5.262 0 1 FKAF CCc1ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)cc1Br 586977761 RNQGJURAYMNNSQ-UHFFFAOYSA-N 369.184 5.574 0 1 FKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2ccccc2[nH]1 586981635 ROLIRXLERMFKLT-UHFFFAOYSA-N 352.235 5.092 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(F)c(N)c4)nc13)-c1ccccc1C2=O 586994942 GMISJCINAGVFEC-UHFFFAOYSA-N 354.384 5.143 0 1 FKAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)s1 587014916 UGMXJERHLFSBHR-ZETCQYMHSA-N 357.813 5.024 0 1 FKAF FC(F)(F)Sc1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 587016896 PJSALTMSMWCDEK-LBPRGKRZSA-N 371.409 5.150 0 1 FKAF COc1c(F)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1F 587104422 TXVSXGPJVNYBEI-UHFFFAOYSA-N 373.358 5.400 0 1 FKAF Cc1cc(C)c2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 587110361 SEBLDJJXPYBRCW-UHFFFAOYSA-N 372.312 5.808 0 1 FKAF Cc1ccnc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c12 587111835 IBPWOCSZDOQEKH-UHFFFAOYSA-N 369.346 5.744 0 1 FKAF CCc1ccc2nc(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)[nH]c2c1 587144010 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350.219 5.044 0 1 FKAF Cc1cccc2c1[C@@H](C)C[C@]21NC2(CC2)Cc2ccc(Br)cc21 961614396 KYTOQFBEOIZMEV-QKKBWIMNSA-N 368.318 5.187 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2C12CCN(c1cccc(Cl)c1)CC2 963233674 DCMNAMBJLAEQHZ-GOSISDBHSA-N 368.952 5.492 0 1 FKAF CCOc1ccccc1CN1CCC(F)(F)[C@H](CCc2ccccc2)C1 1772598069 QJNCKYRRHNPTRE-HXUWFJFHSA-N 359.460 5.175 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(Cl)c3)nc3c2oc2ccccc23)cc1 1772638392 RILDBGVUAUDEGQ-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF CCCCCC[C@@H]1OC(=O)[C@@H]1CCCc1ccc(-c2ccccc2)cc1 1857591511 UGQDNKICOVHTSS-PKTZIBPZSA-N 350.502 6.188 0 1 FKAF O=C(O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)C1CCCCC1 1857603056 BNIFMKXARDHDNA-KRWDZBQOSA-N 367.276 5.055 0 1 FKAF C[C@@H]1CC[C@@H]2[C@H](O)C[C@@H]3C(=C[C@]4(C)[C@H](O)C[C@]5(C)CCC(C)(C)[C@@H]5[C@@H]34)[C@@]21C 2356325160 NHQMKSUTHDCJCC-LAHGTINZSA-N 372.593 5.189 0 1 FKAF Cc1cc(O)c([C@@]2(C)CCC(=CBr)[C@H]2C)cc1Br 2356603566 DVSNCQPMSPUOAI-BMIGLBTASA-N 374.116 5.430 0 1 FKAF CCCCC=CCCCCCCCCCCC[C@]1(O)C=C[C@@H](O)[C@H](O)C1 2356674202 ZDXBXVVAIFALIO-ZLNRFVROSA-N 366.586 5.437 0 1 FKAF C=CC(C)=CC[C@@H]1[C@](C)(O)[C@@H]2OC(C)(C)O[C@@H]2[C@H]2C(C)(C)CCC[C@]21C 2356684544 UKAWDTYXZVAWRD-SFJJLGKISA-N 362.554 5.242 0 1 FKAF O=C(OCc1c(-c2ccccc2)ncc2ccccc12)c1ccc(F)cc1 61968957 YZCKQZJAVMPKPM-UHFFFAOYSA-N 357.384 5.398 0 3 FKAF CC[C@]1(C=C(C)C(=O)O)[C@H](c2ccccc2)C=C(C)[C@@H]2[C@H](C)C[C@@H](C)[C@H]21 3782530 NZZHSJZMHIQBPW-YYIAUJCZSA-N 352.518 6.066 0 1 FKAF biogenic C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1Cl)C(C)(C)CCC2(C)C 13738454 ARSPFAPDBRQSDD-UHFFFAOYSA-N 368.904 6.449 0 1 FKAF O=C(O)CCCCCCCCC/C=C(\c1ccccc1)c1cccnc1 26743483 XIYFMEOWONPLQF-CJLVFECKSA-N 351.490 6.109 0 1 FKAF CCCN(CCC)[C@@H]1CCc2c(ccc(CCc3ccccc3)c2OC)C1 27407502 YFMHFOQRZFIVPU-HSZRJFAPSA-N 365.561 5.460 0 1 FKAF c1ccc(CC2(Cc3ccccn3)c3ccccc3Oc3ccccc32)nc1 27981636 GIKUBHWJWGPTKK-UHFFFAOYSA-N 364.448 5.354 0 1 FKAF CC(=O)O[C@]1(C(C)(C)C)CCN2C[C@H](c3ccccc3Cl)CC[C@@H]2C1 29470824 PBSYGFJJRVJKBY-CBGDNZLLSA-N 363.929 5.030 0 1 FKAF Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)[C@@H](O)[C@@H]2C 35966235 YFJZCMOHVUUOJJ-ODXCJYRJSA-N 354.881 5.465 0 1 FKAF O=C1C[C@@H](N(Cc2ccccc2)[C@@H]2CCc3ccccc3C2)c2ccccc21 45300232 AAEFZAOPNBNCRL-RCZVLFRGSA-N 367.492 5.374 0 1 FKAF Cc1cccc(OCc2ccccc2-c2nnc(-c3cc(C)cc(C)c3)o2)c1 64436630 MWXSYLUTQQRUAC-UHFFFAOYSA-N 370.452 5.908 0 1 FKAF CCCc1nc2ccc(-c3nc4ccc(-c5ccccc5)cc4[nH]3)cc2[nH]1 66077927 PGCCZMFWHBXZGT-UHFFFAOYSA-N 352.441 5.726 0 1 FKAF CC(C)Oc1ccc(-c2nc(CN[C@H]3C[C@@H](C)CC(C)(C)C3)co2)cc1 72101494 NMFBSIKHNGDFKG-AEFFLSMTSA-N 356.510 5.433 0 1 FKAF CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCC(C)C)ncnc21 82177864 OZCLRTAFRWADCG-CQSZACIVSA-N 371.916 5.261 0 1 FKAF CC(=O)O[C@@H]1C=C(C)[C@]2(C)CC[C@H](C)[C@](C)(CC[C@@H](C)CC(=O)O)[C@H]2C1 85842167 FPDCHHKVQLVTGK-QNWMCKSXSA-N 364.526 5.218 0 1 FKAF biogenic C[C@H]1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 96270678 OOLFHBYKMZMHBX-SFHVURJKSA-N 354.538 5.104 0 1 FKAF COc1ccc([C@@H](c2ccc(Cl)cc2)c2c(O)ccc3ccccc23)cc1 103173163 PIPNRUUUVUXONF-HSZRJFAPSA-N 374.867 6.388 0 1 FKAF CCCCC[C@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197792 BPKDZDSMBDMZCE-NSHDSACASA-N 373.444 5.437 0 1 FKAF S=C(Nc1nc2c(ccc3ccccc32)s1)Nc1ccccc1Cl 103294834 PZCQGGLVRSEXTH-UHFFFAOYSA-N 369.902 5.912 0 1 FKAF O=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2)cc1F 103297017 SDPBFKBYZUOGDA-UHFFFAOYSA-N 360.747 5.122 0 1 FKAF CC(C)=CC/C=C(\C)[C@H]1C/C=C(\C)CC/C=C(/CO)CC/C=C(\C)CC1 238733261 MXTBBBIZYLWNIV-YKEZMXQASA-N 356.594 7.461 0 1 FKAF CC(C)=CCc1c(O)cc(/C=C/c2ccccc2)c2c1OC(C)(C)[C@H](O)C2 238779644 UAXXMVQLCVNGIS-VDZCTEQFSA-N 364.485 5.146 0 1 FKAF COc1cc2c(cc1[C@H](C)c1cc(C(C)C)c(C)cc1O)C=CC(C)(C)O2 238783672 DWHKKZNVVVMQDT-MRXNPFEDSA-N 366.501 6.169 0 1 FKAF C1CC[C@@H]2C[C@H](N3CCCN([C@@H]4CC[C@H]5CCCC[C@@H]5C4)CC3)CC[C@@H]2C1 253639820 UGLVJORGECAOIY-QEQOIWAHSA-N 372.641 5.712 0 1 FKAF COc1c(C)cc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CC[C@H](C)CC1 299868317 ZVABXXHXRVMFOZ-QUWSVYMGSA-N 355.453 5.118 0 1 FKAF FC(F)(F)Sc1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586883614 CPOZZEFROCJKMB-KDOFPFPSSA-N 360.404 5.546 0 1 FKAF CCc1c(-c2ccc(F)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988812 RKJFCDGAHZBKGJ-UHFFFAOYSA-N 369.395 5.520 0 1 FKAF Cc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2c1C 587031940 WUYTUXXSJDVBGM-CQSZACIVSA-N 361.514 6.139 0 1 FKAF O=C(O)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587124939 NQDOWPDSOJYGKM-FPYGCLRLSA-N 364.348 5.043 0 1 FKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c1 587241793 IJKOOZQVZFZQRV-UHFFFAOYSA-N 363.505 5.902 0 1 FKAF CO/C=C(\C)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587364077 WMEAVGNJILPGNC-BUHFOSPRSA-N 359.425 5.972 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2O[C@@]2(C)CC3)c1 587367004 VWXBPAFIXQQWCE-PKTZIBPZSA-N 357.409 5.433 0 1 FKAF CCCOc1ccc(C)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525887 VVZXNEIGDGYLKF-QFIPXVFZSA-N 350.458 5.369 0 1 FKAF Clc1cccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587784911 VZJBXDJEIJVDNA-KAMYIIQDSA-N 360.844 5.966 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]3CCCC[C@@H]32)N1 587816548 ABYWZBHHURUGGD-QRDCCXFBSA-N 366.318 5.308 0 1 FKAF CC[C@@]1(C2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587818593 IXXNWWJSLMIWFT-XIKOKIGWSA-N 354.307 5.308 0 1 FKAF O=C(c1ccc(F)c(Cl)c1)N1c2ccccc2Sc2ccccc21 653726422 AQJXXODDRAKKEX-UHFFFAOYSA-N 355.821 5.922 0 1 FKAF CNc1cc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)ccc1C 653767971 PBIBHDQETXEEPY-HXUWFJFHSA-N 358.489 5.292 0 1 FKAF CCCc1ccc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)cc1 961610925 CDWGARUOVWKRKW-IBGZPJMESA-N 356.307 5.169 0 1 FKAF Cc1cc2c(cc1F)[C@@H](c1cc(C)c(-c3ccccc3)nc1Cl)NCC2 962376687 QFMQWQGCGCDZRA-NRFANRHFSA-N 366.867 5.393 0 1 FKAF FC1(F)CCN(Cc2ccc3ccccc3n2)C[C@H]1CCc1ccccc1 1772608239 ZANIVBLSRLIZLS-HXUWFJFHSA-N 366.455 5.325 0 1 FKAF Cc1csc(-c2cnc3ccn(Cc4ccc(C(F)(F)F)o4)c3c2)c1 1857641230 ILCDOFUXUXWKBB-UHFFFAOYSA-N 362.376 5.733 0 1 FKAF CC(=CCC[C@@]1(C)CCc2cc(O)cc(C)c2O1)CCC[C@H](C)C(=O)O 2356588617 BYBSVSPLZOCDCC-AOMKIAJQSA-N 360.494 5.402 0 1 FKAF C[C@@]1(Oc2cccc(F)c2)CCN(Cc2ccc(-c3ccccc3)o2)C1 61930023 HPGCIWYUUOXVKJ-JOCHJYFZSA-N 351.421 5.129 0 3 FKAF N=C(NCc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1 1549713 KZHQQVQAVWJTDA-UHFFFAOYSA-N 363.166 5.007 0 1 FKAF O=C1O/C(=C(\Br)c2cccc3ccccc23)c2ccccc21 1633466 KESOYHRLGZYZEA-ZCXUNETKSA-N 351.199 5.231 0 1 FKAF O=C(O)CCCCCOc1cc(-c2ccc(Cl)cc2)c2ccccc2n1 13729649 NJPHOGPVYRFHDQ-UHFFFAOYSA-N 369.848 5.579 0 1 FKAF Cc1cccc(-n2cc(-c3ccccc3)c3c(=O)oc4ccccc4c32)c1 26639435 QQEBKMOBBGREMA-UHFFFAOYSA-N 351.405 5.712 0 1 FKAF CCCN(CCC)[C@@H]1CCc2cc(CCc3ccc(Cl)cc3)ccc2C1 27407951 XJCNAPNYTSUCIR-XMMPIXPASA-N 369.980 6.105 0 1 FKAF CCOc1ccc(-c2nc3n(c2-c2ccc(OCC)cc2)CCS3)cc1 34079696 XQHBNRKHFFASMS-UHFFFAOYSA-N 366.486 5.120 0 1 FKAF c1ccc(-c2ccc([C@H](c3cc4ccccc4o3)n3cncn3)cc2)cc1 40393423 UBVFOVYNDIFYBG-HSZRJFAPSA-N 351.409 5.329 0 1 FKAF CCCCc1ccc(-n2c(=S)oc3ccc(Cl)cc3c2=S)cc1 64549620 GNHLTARGTKSOMW-UHFFFAOYSA-N 361.919 6.678 0 1 FKAF COc1ccc2c(CCCCN3C(C)(C)CCCC3(C)C)cccc2c1 95602194 UZVIQEXXWIZTHI-UHFFFAOYSA-N 353.550 6.214 0 1 FKAF Cc1ccc2c(c1)c1c(n2CCCNCc2ccccc2F)CCCC1 103297353 OWLKNZUXSBKNRW-UHFFFAOYSA-N 350.481 5.148 0 1 FKAF Cc1ccc2c(c1)c1c(n2CCCNCc2cccc(Cl)c2)CCCC1 103298933 XKJAQLNDLBYXFK-UHFFFAOYSA-N 366.936 5.662 0 1 FKAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccc(C(C)C)cc1 103999666 SCFSVZSVIIEZDY-QOJBNDRUSA-N 371.477 5.011 0 1 FKAF CC(C)=CCC/C(C)=C/Cn1cc(CN2CCCCC2)c2cc(F)ccc21 144256120 JGGVOGXHXOWQFA-UDWIEESQSA-N 368.540 6.459 0 1 FKAF CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1(C)C 253645499 KMKBRLPCUKJMSX-FPOVZHCZSA-N 372.915 5.082 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1CCCC[C@H]1CC3 586989720 CXXXKHXOERAVBV-UONOGXRCSA-N 355.437 5.372 0 1 FKAF Cc1cc(F)c2[nH]c(-c3sc(-c4ccc(Cl)cc4)nc3C)nc2c1 587013711 BMAVRUCESIRSIV-UHFFFAOYSA-N 357.841 5.763 0 1 FKAF Cc1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 587060635 QPSHRWCEQAOOCT-UHFFFAOYSA-N 369.855 6.407 0 1 FKAF Cc1ccnc2[nH]c([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc12 587068585 BHKDQJDHNNEUNB-LAOKBDHQSA-N 372.299 5.939 0 1 FKAF Cn1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C(F)(F)F)c1 587115685 WRKNSCJUTZEKBE-UHFFFAOYSA-N 373.403 5.738 0 1 FKAF CCOc1cc(/C=C\c2nc3cc(F)cc(F)c3[nH]2)ccc1OC(F)F 587131389 ZLLHLGLTFPEUCE-XQRVVYSFSA-N 366.314 5.012 0 1 FKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(F)c(F)ccc3[nH]2)cc1 587158938 SZHCAPINOKOODL-UHFFFAOYSA-N 352.315 5.127 0 1 FKAF Fc1ccc(/C=C(\c2nc3cc(F)c(F)c(F)c3[nH]2)c2cccs2)cc1 587163467 JIHJAQZDJCDPJC-WQLSENKSSA-N 374.362 5.770 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(O)cc(C(C)(C)C)c1)CC2=O 587491374 UPVDIRFCGONNEC-FQEVSTJZSA-N 354.446 5.054 0 1 FKAF CC1=C(CC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(C)(C)CCC1 587525319 RSXOVRVZNYNAES-VWLOTQADSA-N 366.545 6.596 0 1 FKAF O=C1C[C@H](c2csc(-c3ccsc3)n2)Oc2c1ccc1c2CCCC1 587535843 OTVGMSGEYAQOMP-GOSISDBHSA-N 367.495 5.457 0 1 FKAF CCCCCC[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600165 MMTGZGOZPCNRLG-SIKLNZKXSA-N 354.446 5.473 0 1 FKAF CC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCCCC1 587600928 DBXFNGOSJUSBJJ-WIYYLYMNSA-N 352.430 5.083 0 1 FKAF CC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(C)cc(Cl)cc12 587624990 YATOWFAIPZZESB-UHFFFAOYSA-N 351.755 6.018 0 1 FKAF O=C(c1ccccc1F)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587627776 BXMDARHMTYFGLS-UHFFFAOYSA-N 359.681 5.349 0 1 FKAF Cc1[nH]c2cc(F)ccc2c1C[C@](F)(Cl)C(F)(F)Br 587634314 YLCHZEFKCYVCKM-LLVKDONJSA-N 358.560 5.050 0 1 FKAF Cc1ccccc1-c1cccc(-c2noc(Cc3c[nH]c4ccccc34)n2)c1 653706073 ZULLFTSIXIYNHE-UHFFFAOYSA-N 365.436 5.784 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3Cl)n2)cc1 653735655 IMDWSANVXIJJGC-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF C[C@@]1(c2cc(Cl)sc2Cl)c2c(F)cccc2C[C@H]2CCCN21 963096752 GKGSAHXZBWKUHM-PIGZYNQJSA-N 356.293 5.478 0 1 FKAF CCCCCn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc2ccccc21 1772651253 VYDAYHIWIXPVDZ-UHFFFAOYSA-N 364.533 5.530 0 1 FKAF C[C@@H]1CCc2c(sc3nc(-c4ccc(C(F)(F)F)cc4)nc(O)c23)C1 1772651814 LXNXRCYOAQXYNG-SECBINFHSA-N 364.392 5.208 0 1 FKAF CC(C)=CCC[C@]1(C)CCC[C@@]2(C)C(CCC(C)=CC(=O)O)=C(C)CC[C@@H]12 2356562370 VMXBEUNFNFIWLY-CAOCKLPOSA-N 372.593 7.467 0 1 FKAF CC(C)=C[C@H]1C[C@](C)(C=Cc2ccc3[nH]ccc3c2)c2cc3[nH]ccc3cc21 2356607200 FAQRBHZNMOOHPZ-LVXARBLLSA-N 366.508 7.074 0 1 FKAF CCCCCC1=C[C@@H](O)C=CCC=C(CC[C@H](C)CCCC(=O)O)O1 2356820645 FNADGMSSLFUCRL-MSOLQXFVSA-N 350.499 5.343 0 1 FKAF Cc1ccc(NC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)cc1 2382259089 UNUDYAOUCQXNAY-UHFFFAOYSA-N 367.452 5.408 0 1 FKAF Clc1cccc(Cc2c(-c3ccccc3)nc3c4ccccc4ccn23)c1 72138238 KIRZFZYASITHGM-UHFFFAOYSA-N 368.867 6.399 0 3 FKAF CCc1c(-c2ccccc2F)ncn1Cc1cccc(-c2ccccc2)c1 95564521 ADGSIIBZJQOYHL-UHFFFAOYSA-N 356.444 5.967 0 3 FKAF O=C1SC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccccc21 5852970 VDZCDZUDQDPSNH-UHFFFAOYSA-N 371.288 6.172 0 1 FKAF Fc1ccc2[nH]c3c(c2c1)[C@H]1CCC[C@@H](C3)N1CCCCc1ccccc1 13827330 KYBUUIZCDMRELX-WMZHIEFXSA-N 362.492 5.782 0 1 FKAF CCCN(CCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12 13833099 STVCWSLDTGQYHA-UHFFFAOYSA-N 352.453 5.165 0 1 FKAF Clc1ccc(/C(=C/n2cncn2)OC2CCCCCCC2)c(Cl)c1 26274711 BEPANIVQPGBOQX-WQRHYEAKSA-N 366.292 5.670 0 1 FKAF CCCCc1ncc(-c2ccccc2C(=O)O)n1Cc1ccccc1Cl 27298471 FQDCWCDFUBKYFP-UHFFFAOYSA-N 368.864 5.293 0 1 FKAF Fc1ccc([C@H](c2ccn(-c3ccc(Cl)cc3)c2)n2ccnc2)cc1 28239889 JCDQIFZYGBRUER-HXUWFJFHSA-N 351.812 5.104 0 1 FKAF Nc1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3s2)cc1 28713965 VVYFGERDCVGTGO-UHFFFAOYSA-N 359.479 5.822 0 1 FKAF CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccccc4)c3c2C)cc1 28756435 IIXUZNNUQDOARN-UHFFFAOYSA-N 372.472 5.488 0 1 FKAF Cc1cc(-c2c(C3=CCCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1 29126198 GSQRZAKCDMEPEX-UHFFFAOYSA-N 354.837 5.492 0 1 FKAF CN(C)CCCOc1ccccc1CCc1ccc(Cl)c(Cl)c1 29483014 IIJCEENLCOGTPW-UHFFFAOYSA-N 352.305 5.109 0 1 FKAF CCCn1cc(C)nc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 43173819 DGGVSYPBSIIZRQ-UHFFFAOYSA-N 361.276 5.714 0 1 FKAF COc1ccc(CN2CC[C@H]3C[C@@H]2c2cc(-c4cccc(C)c4)ccc23)cc1 61943040 JAFOOEBCAFRBFR-BKMJKUGQSA-N 369.508 6.105 0 1 FKAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 98084945 UIRGBYWISWGYEM-NOUBXCAASA-N 373.581 5.081 0 1 FKAF O=C(Nc1nc2ccc(-c3ccncc3)cc2s1)[C@H]1C[C@@H]1c1ccccc1 103294172 WCIQHQDDKIZJND-MSOLQXFVSA-N 371.465 5.101 0 1 FKAF Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3[nH]nc(-c4ccccc4)c32)cc1 103535820 LHWUUNLPCDOQKB-IBGZPJMESA-N 355.441 5.599 0 1 FKAF CCCCNC(=O)NCCCCCCCCCCCCCCCC(=O)O 299823977 ABKABMKFVHSAQA-UHFFFAOYSA-N 370.578 5.632 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2c(C)c(Br)cnc2[nH]1 586883775 NSAARCXJBKMKAQ-UHFFFAOYSA-N 352.235 5.157 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc(N(C)C)c4)nc13)-c1ccccc1C2=O 586994823 AWCADLSVUBIRHL-UHFFFAOYSA-N 364.448 5.488 0 1 FKAF CCN(CC)CCCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586994993 CKIXONVQTXQPCV-UHFFFAOYSA-N 358.485 5.029 0 1 FKAF Cc1nc2c(C)ccc3c2c(c1Cc1ccc(F)cc1)-c1ccccc1C3=O 586996853 UBIPGNITCWNJCR-UHFFFAOYSA-N 367.423 5.793 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(Br)cc2[nH]1 587065900 DBJLWMKJSXBHCG-SNVBAGLBSA-N 365.658 5.427 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H]1C[C@H]4[C@H]3CCC[C@H]31)-c1ccccc1C2=O 587101484 UINHEKXSAYLLKL-QABNGEJJSA-N 351.449 5.755 0 1 FKAF Fc1cc(Cl)cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587125851 UNAWIAUFJSSHIH-UTCJRWHESA-N 372.774 6.138 0 1 FKAF CCCCC[C@H]1CC[C@H]([C@H]2CCc3nc4cccc5c4c(c3C2)CC5)CC1 587214706 DJSMSGKMLZDFMD-ZJOUEHCJSA-N 361.573 6.825 0 1 FKAF O=C(c1c(F)cccc1Br)c1coc2ccc(Cl)cc12 587279113 WJINZGPUZDFCNQ-UHFFFAOYSA-N 353.574 5.219 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1ccc(Cl)cc1)(C(C)(C)C)O2 587377444 ILBWEZCDBSKZLV-JOCHJYFZSA-N 371.908 5.614 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)c(C)cc1F)CC2=O 587468032 WFGDIVQNWLOZSQ-FQEVSTJZSA-N 362.828 5.326 0 1 FKAF O=C1C[C@@H](c2c(C3CC3)oc3ccc(O)cc23)Oc2c1ccc1c2CCCC1 587529450 CHIQYDXRROXVHB-NRFANRHFSA-N 374.436 5.601 0 1 FKAF CC(C)(C)c1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)cc1 587633483 FPLBRDWBAKDHLI-UHFFFAOYSA-N 363.354 5.854 0 1 FKAF O=C(c1c(-c2ccc(Br)cc2)[nH]c2cc(F)ccc12)C(F)F 587633487 DMZTTWUBDVBTPK-UHFFFAOYSA-N 368.152 5.184 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C)(C)[C@@H]1CC[C@@]2(C)C1 587818669 SEQOBEOBZDGNJR-DZUZHBOMSA-N 366.318 5.164 0 1 FKAF O=C(Nc1ccc(Cl)cc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587873677 GUWOLXMLDXLQQV-UHFFFAOYSA-N 364.163 5.182 0 1 FKAF Cc1ccc(-c2csc(C[C@@H](C)n3ccc(C(F)(F)F)n3)n2)cc1C 587920866 OBSJLNUXGGTVJC-CYBMUJFWSA-N 365.424 5.446 0 1 FKAF CCC[C@H](c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(C)C 587955639 RNQWVHHDOBEEOC-ZDUSSCGKSA-N 367.331 5.900 0 1 FKAF C(=C1C2CC3CC(C2)CC1C3)c1nc2cccc(OCc3ccccc3)c2[nH]1 587966029 GTRNEEHFZYONAR-UHFFFAOYSA-N 370.496 5.981 0 1 FKAF CC(C)(C)C[C@]1(c2ccc(F)cc2)NCCc2cccc(-c3ccccc3)c21 962674781 YSJAXRJKIAOVPT-AREMUKBSSA-N 373.515 6.318 0 1 FKAF CCC(CC)[C@]1(Cc2ccccn2)c2c(F)cccc2C[C@@H]2CCCN21 963106165 QVNHVUUFGBIEOV-NZQKXSOJSA-N 352.497 5.115 0 1 FKAF CC(C)=C1CC[C@H](C)[C@@](C)(CCc2ccoc2)[C@H]1CCC(=O)OC(C)C 2356610750 WXJSQSRTYFZBJE-AVCGJXAMSA-N 360.538 6.333 0 1 FKAF Cc1ccc(OCCCc2nc3ncc(Cl)cc3s2)cc1Cl 2382248506 FIGXVSOAXDYKLU-UHFFFAOYSA-N 353.274 5.318 0 1 FKAF Cc1c[nH]c([C@@H](O)c2cccc(OCc3ccc(-c4ccccc4)cc3)c2)n1 13822751 DLYPATCTXTWMMA-QHCPKHFHSA-N 370.452 5.046 0 1 FKAF Fc1ccc2[nH]cc(C3CCN([C@@H]4Cc5cccc6cccc4c56)CC3)c2c1 36221531 KSNSVNQHQZZXOD-XMMPIXPASA-N 370.471 5.937 0 1 FKAF Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1-c1ncccc1C 38149574 MCAMXEHOSSNVKP-UHFFFAOYSA-N 370.374 5.637 0 1 FKAF C[C@H](Nc1cncc(-c2cccc(OC(F)(F)F)c2)n1)c1ccccc1 45317989 MEOZWOBOBGOMAK-ZDUSSCGKSA-N 359.351 5.215 0 1 FKAF S=c1oc2ccc(Br)cc2c(=S)n1Cc1ccccc1 53295710 MVXOKOVYKZGWJK-UHFFFAOYSA-N 364.289 5.504 0 1 FKAF COc1ccc(C(=O)N2c3ccccc3Sc3c(Cl)cncc32)cc1 63298592 GLMWKEAUVZDGKE-UHFFFAOYSA-N 368.845 5.187 0 1 FKAF Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C)c3)cc(C(F)(F)F)c2)cn1 71789451 MAVRJTDKUNWDME-UHFFFAOYSA-N 373.378 5.069 0 1 FKAF Cc1ccc(-c2nc(CNc3cc(C)nn3-c3ccc(C)cc3)co2)cc1 72186119 NFKIAOMGRQQZMK-UHFFFAOYSA-N 358.445 5.065 0 1 FKAF CCC(CC)c1nc2c(NCc3ccccc3)ncnc2n1C[C@@H](C)CC 82178689 ULTVPKMDQGBHJU-INIZCTEOSA-N 365.525 5.388 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3cccs3)c2)c1 95554939 MQOVTVGNGMUVFC-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF COc1cc(Cc2c(-c3ccoc3)[nH]c3ccccc23)cc(OC)c1OC 95597476 NXURHTBCVVFMOO-UHFFFAOYSA-N 363.413 5.045 0 1 FKAF COc1cc(OC)c2c(NCc3ccccc3)cc(-c3ccccc3)nc2c1 98083128 ZCOHSLDTKONWKK-UHFFFAOYSA-N 370.452 5.531 0 1 FKAF COc1cccc2[nH]cc(/C=C(\C)C(=O)Nc3ccc(C(C)(C)C)cc3)c12 103271130 WZCQQKZRKRNHMJ-FYWRMAATSA-N 362.473 5.516 0 1 FKAF CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3C)ccc21 145859639 VTAXFHATHOHPMA-UHFFFAOYSA-N 369.424 5.066 0 1 FKAF COc1cc2c(C)nc(OC)c(Cc3ccc4ccccc4c3)c2cc1OC 147698478 QHKSFEAOENGDFZ-UHFFFAOYSA-N 373.452 5.313 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3O)c3c(n2)-c2ccccc2OC3)cc1 473126194 ZUZXOUUJZSRNNE-UHFFFAOYSA-N 367.404 5.386 0 1 FKAF Cc1nc(Cl)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986251 JTLGVPHVHSFVKV-UHFFFAOYSA-N 372.811 5.176 0 1 FKAF Cc1nc(COc2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)cs1 587020440 SNDRVHRBUBWPLE-UHFFFAOYSA-N 355.850 5.227 0 1 FKAF Cc1cc(Br)cc2nc(CSCc3ccsc3)[nH]c12 587025453 GODZTNOWQYHYGK-UHFFFAOYSA-N 353.310 5.129 0 1 FKAF Cc1nn(-c2cccc(-c3nc4cccc(Cl)c4[nH]3)c2)c(C)c1Cl 587065528 RILXPNDXVBJXLZ-UHFFFAOYSA-N 357.244 5.339 0 1 FKAF Cc1cc(Br)cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 587088288 WAVHNUFFVQWWSS-UHFFFAOYSA-N 360.642 5.436 0 1 FKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1O 587098803 UTTXSFHGCLXKNE-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF COc1ccc(-c2ccc(-c3nc4ccnc(Cl)c4[nH]3)c(F)c2)c(F)c1 587152525 PCDUJQUGEUCSTH-UHFFFAOYSA-N 371.774 5.232 0 1 FKAF COc1cc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2cc1Cl 587169830 BGZBGYGABQDMRX-JTQLQIEISA-N 350.846 5.260 0 1 FKAF CC(C)(C)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)o1 587206793 NDZLVGMZNJJOME-UHFFFAOYSA-N 353.421 6.004 0 1 FKAF CC(C)c1c(Cc2ccc(Cl)cc2Cl)nc2cccc3c2c1CC3 587209043 GUBYKUMUNJMWFA-UHFFFAOYSA-N 356.296 6.354 0 1 FKAF CCc1c(-c2ccc(Oc3ccccc3)cc2)nc2cccc3c2c1CC3 587213652 JUPJTIGISKQCQH-UHFFFAOYSA-N 351.449 6.355 0 1 FKAF Cc1cc(Cl)cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 587226332 PIOCGERKQWKVGE-MRXNPFEDSA-N 363.889 5.281 0 1 FKAF CCCc1ccc(OCc2ccc(C(=O)c3coc4ccccc34)o2)cc1 587280715 UOHDYKHPFXLVBJ-UHFFFAOYSA-N 360.409 5.788 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(CCC1=C(C)CCCC1(C)C)[C@@H](C2)C3=O 587443765 BRSSEDFOSFWMLR-MBSDFSHPSA-N 354.490 5.508 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)Cc1ccc(CC)cc1)CC2=O 587490629 SFLDNHAWIKGCFW-QFIPXVFZSA-N 366.501 5.510 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1sc3scc(C)c3c1C)CC2=O 587497595 XJRQNFYRQUZBCN-INIZCTEOSA-N 372.511 5.944 0 1 FKAF CCOc1nc2ccccc2cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523117 GNKKXRDQUZYTTL-JOCHJYFZSA-N 373.452 5.219 0 1 FKAF Cc1cc([C@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)s1 587531005 HXKQWNSRNQNNPT-JOCHJYFZSA-N 354.515 5.760 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1CCC1 587602924 LQMZPQTZCNEYBM-QPPBQGQZSA-N 372.420 5.049 0 1 FKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cccnc1 587627971 NGMIPAHZFBIIRL-UHFFFAOYSA-N 372.268 5.140 0 1 FKAF CC(=O)OCc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587922998 LMXUAZVDSIJNRI-UHFFFAOYSA-N 366.417 5.161 0 1 FKAF CC(C)Oc1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587949448 GWDLGTUTZIWXIX-NTCAYCPXSA-N 370.452 6.313 0 1 FKAF CC[C@]1(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)CC(=O)c2ccccc2C1 587959963 JIXYPTNYBUBWJK-HXUWFJFHSA-N 373.283 5.638 0 1 FKAF Fc1cc2[nH]c(/C=C\c3cccc4ccccc34)nc2cc1-n1cccn1 587969731 VRLKGZBICGYXCY-KTKRTIGZSA-N 354.388 5.211 0 1 FKAF CN1CCC=C(c2ccc(CN(C)Cc3ccc4ccccc4c3)cc2)C1 653801249 DYOSPPCRDYBBAY-UHFFFAOYSA-N 356.513 5.191 0 1 FKAF Cc1cccc(COc2cccc([C@@H]3NCCc4c3sc(C)c4C)c2)c1 963012826 RDBPSVQEEBNBJC-QFIPXVFZSA-N 363.526 5.487 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(OCc5cccnc5)cc4CC[C@H]3[C@@H]1CCC2=O 1857640220 GITKYCMDYBQTMD-SVPADUAOSA-N 361.485 5.086 0 1 FKAF Cc1cc(=O)oc2cc(OCCCCCCCCn3ccnc3C)ccc12 1857649537 ZZRMTJBOAOPEEW-UHFFFAOYSA-N 368.477 5.026 0 1 FKAF CC(=CCc1c(O)c(C)cc(C=O)c1O)CC[C@]1(C)CC[C@H](C)C(=O)[C@@H]1C 2356702559 JTWHVIZCDKVJLU-WSZRMNBISA-N 372.505 5.129 0 1 FKAF COc1ccc(-c2cc(-c3cc(F)c(Cl)cc3Cl)on2)cc1OC 1660337 ZKXBBZOZJMSBOR-UHFFFAOYSA-N 368.191 5.472 0 1 FKAF Cc1ccc(CN(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 3639495 FZIDDCNWRAVYCY-UHFFFAOYSA-N 353.469 5.197 0 1 FKAF COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccc(O)cc1 6257722 PHKFTVVFCJTISE-DHIUTWEWSA-N 360.453 5.488 0 1 FKAF CN(Cc1ccc(Cc2ccccc2)cc1)Cc1cccc2ccccc12 6437556 NXZDISSVUCNUFZ-UHFFFAOYSA-N 351.493 6.063 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c([C@H]2C[C@H](C)CC[C@H]2C(C)C)c(O)c1 28568002 JLGDXTIZMZJIMY-GIVPXCGWSA-N 374.609 7.522 0 1 FKAF CCCc1ccc(/C=C/C(=O)Nc2ccc3nc(CCC)cc(N)c3c2)cc1 36351840 CQVXFZJUXUJIPF-SDNWHVSQSA-N 373.500 5.374 0 1 FKAF COc1ccc([C@@H](OC)c2cc3ccccc3cc2-c2cccnc2)cc1 40392177 XIGFQMNUIQRGSS-XMMPIXPASA-N 355.437 5.646 0 1 FKAF CCCCCCOc1cc(Cl)c(C(=O)CCN2C[C@@H]2C)cc1Cl 42988546 FWEQPKVOKVCVSZ-JRTLGTJJSA-N 358.309 5.229 0 1 FKAF Cc1oc(-c2cnc(NCC3CC3)nc2-c2ccco2)nc1-c1ccccc1 82165548 SGZFOMIMSQVVFF-UHFFFAOYSA-N 372.428 5.189 0 1 FKAF C[C@@H](c1ccc2c(c1)c1ccccc1n2C)n1cc(-c2ccccc2)nn1 84668386 KSKOONKTIUGDRV-INIZCTEOSA-N 352.441 5.199 0 1 FKAF Cc1[nH]c2ccccc2c1[C@H](Nc1ccccc1)c1ccc2ccccc2c1 84671672 QOAYZHCBPQVSGD-AREMUKBSSA-N 362.476 6.831 0 1 FKAF Cc1ccc2cc([C@H]3CC(c4ccc(Cl)s4)=NN3)c(Cl)nc2c1 103212279 GVAOFWPTUMEMSR-CYBMUJFWSA-N 362.285 5.350 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccccc2)C[C@@H](c2ccccc2)C1 103919099 QKLLXZDEIMQZJW-CLOONOSVSA-N 366.464 6.316 0 1 FKAF Cc1nc(N[C@@H](C)c2cccc(O)c2)cc(-c2ccc3occ(C)c3c2)n1 214667882 YQIXVADSVYMXRW-AWEZNQCLSA-N 359.429 5.385 0 1 FKAF Cc1cccc(C)c1[C@H]1CC(O)=C(Sc2ccccc2Cl)C(=O)O1 299823434 DQVFBDGSVMHVRZ-OAHLLOKOSA-N 360.862 5.507 0 1 FKAF CCCc1ccc(OCc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 473152890 WSVOJMVGEFFPDR-SFHVURJKSA-N 351.490 5.233 0 1 FKAF Cc1cc(-c2nc3c(Cl)cccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878759 JMQOGZHXSUCAEU-UHFFFAOYSA-N 362.816 5.557 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3c(Br)cc(C)cc3[nH]2)cc1 586881548 XVNXIUAGIYMKRX-UHFFFAOYSA-N 357.295 5.988 0 1 FKAF Fc1c(Br)ccc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587028579 WNXRCAMXYGDHAA-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF O=C1CSc2ccc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cc2N1 587043373 LBAGQLLRJKKFHV-UHFFFAOYSA-N 373.437 5.066 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587066952 VEZWLCKPYVLNJY-SNVBAGLBSA-N 370.758 5.563 0 1 FKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Cl)cccc2[nH]1 587077511 ZYTIHGNLBBGLGI-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF CCc1cccnc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097366 NPGCQVWCMMWNTR-UHFFFAOYSA-N 350.421 5.379 0 1 FKAF FC(F)(F)c1ccccc1Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 587106766 LPDBXURRLGCUNS-UHFFFAOYSA-N 368.358 5.965 0 1 FKAF Cc1cc(F)c2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2c1 587121491 AKCUQLXHXVWHRP-UHFFFAOYSA-N 370.371 5.342 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c[nH]nc2CC3)c1 587362515 IWCJXISRPGNNOQ-UHFFFAOYSA-N 367.408 5.145 0 1 FKAF CC[C@@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1 587364744 CGOGETGLUNGSEU-OAHLLOKOSA-N 357.453 6.172 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](c1ccccc1)c1cc(C)ccc1C)O2 587405481 LLECWNNKOIQQJS-RPWUZVMVSA-N 371.480 5.360 0 1 FKAF COc1cc2c3c(c1)O[C@@](CCCC(C)C)(c1ccccc1)[C@@H](C2)C3=O 587443092 OLGSSQRPQYJYGS-CVDCTZTESA-N 350.458 5.164 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(C(C)(C)c1ccc(F)cc1)CC2=O 587466742 MMNHQIKFEGHGRN-JOCHJYFZSA-N 356.437 5.186 0 1 FKAF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c2ccc(Cl)cc12 587498689 JRYMQCXHCFYFQZ-FQEVSTJZSA-N 365.860 5.715 0 1 FKAF C[C@]1(c2cc3c(s2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587535155 IPZCIWNMTQJPRZ-JOCHJYFZSA-N 352.499 5.386 0 1 FKAF Cc1csc2sc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)c12 587538508 PIADAJAUKRHDMQ-QGZVFWFLSA-N 368.523 6.165 0 1 FKAF CCCc1c(-c2ccc(Br)cc2)[nH]c2ccc([C@@H](C)CC)cc12 587638932 KEZNYFTZMMNPHE-AWEZNQCLSA-N 370.334 7.063 0 1 FKAF Cc1cc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c(C)n1 587785234 ZDBBQQBZROFGNL-JLHYYAGUSA-N 355.441 5.324 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC2CCCCCC2)N1 587818192 GPCIZXZJFWWVCN-LRDDRELGSA-N 354.307 5.524 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C3CCC3)c2)N1 587821811 XWMQYHACMZRBEI-ODXCJYRJSA-N 374.297 5.479 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C(F)(F)F)ccc1F 587870964 MLTYUPNRQKTCCK-UHFFFAOYSA-N 368.305 5.235 0 1 FKAF O=C(c1cc2ccc(Cl)cc2s1)n1nc2cc1Oc1ccc(F)cc1-2 587875192 BFWAADZJBUMTMR-UHFFFAOYSA-N 370.792 5.352 0 1 FKAF Cc1ccc(Cl)c2sc(-n3nc4cc3Oc3ccc(F)cc3-4)nc12 587875696 GUJNXLBBSOAZBX-UHFFFAOYSA-N 357.797 5.356 0 1 FKAF CSc1ccc(-c2csc(-c3cc4ccccc4oc3=O)n2)cc1 587925129 OPWFMXIXFRWCGP-UHFFFAOYSA-N 351.452 5.305 0 1 FKAF COc1ccc(-c2cccc(-c3nc4c(C)nc(C)cc4[nH]3)c2C)c(OC)c1 587930262 RVHIEDTWGALXIW-UHFFFAOYSA-N 373.456 5.234 0 1 FKAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587936851 MJPYWTZZFYMXGF-NYHFZMIOSA-N 374.440 5.201 0 1 FKAF c1ccc(-c2ccc3c(c2)CCN[C@H]3c2ccc(-c3ccco3)nc2)cc1 962662737 CLYMABDQLVOBNU-DEOSSOPVSA-N 352.437 5.244 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCCc3cc(OC)ccc32)N1 962962636 YGGWOBQASOQSQY-BXKMTCNYSA-N 360.501 5.071 0 1 FKAF O=C(O)c1cccc2c1CCN[C@]2(c1ccc(Cl)cc1)C1CCCCC1 963135010 VKJJXKCTCAUODH-QFIPXVFZSA-N 369.892 5.008 0 1 FKAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc(F)c(C)c1C(F)(F)F 963259714 TXRLESUNNPEBBN-KRWDZBQOSA-N 373.777 5.050 0 1 FKAF CCCC(=O)Nc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1 1772654736 MWWJWHCKKKIUNE-UHFFFAOYSA-N 351.837 5.203 0 1 FKAF CC1CCN(CCCCCCOc2ccc(-c3ccccc3)cc2)CC1 1857565886 GCBQHVKKHGIPPA-UHFFFAOYSA-N 351.534 6.025 0 1 FKAF CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2ccc3ccccc3c2)OC1=O 1857754677 DUZWGQUZHWKOGZ-PEHFAQBGSA-N 360.497 6.837 0 1 FKAF C[C@H]([C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356475010 LXPWEKOLVATYSJ-RUSLYMKFSA-N 357.582 5.309 0 1 FKAF CC=C(C)C(=O)O[C@@H]1CC=C(C)CC[C@H](C(C)C)[C@@H](OC(C)=O)C=C1C 2356663967 BNIDKQNFOZHCRT-NJYVYQBISA-N 362.510 5.145 0 1 FKAF O[C@@H](c1ccc(-c2ccccc2)cc1)C(F)(F)c1nc2ccccc2o1 1654781 LGWTVZUAPGUCEF-IBGZPJMESA-N 351.352 5.320 0 1 FKAF COc1cc(C(=O)O[C@@H]2CC(C)=C3CC=C(C)[C@H]3C[C@H]2C(C)C)ccc1O 5645195 YDLFKPPITJZFOQ-QKNQBKEWSA-N 370.489 5.275 0 1 FKAF biogenic Clc1ccc2c(c1)[C@H]1[C@H](CO2)C(c2ccccc2)=NN1c1ccccc1 5823916 USZXMYNZUVAVQH-KNQAVFIVSA-N 360.844 5.314 0 1 FKAF O=C(NCCC=C(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1 13451944 RECBCPRLEMVMTD-UHFFFAOYSA-N 366.464 5.420 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 33820782 FZSKILMPRKPLJG-LVVAJZGHSA-N 358.566 6.312 0 1 FKAF CC(/C=C/[C@H]1CCCN1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O 36242000 MNVPYFNLMYKEKF-JFCAQSKFSA-N 367.533 5.592 0 1 FKAF CC(C)CCc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1 40953858 HEIDJEFGBUXABK-UHFFFAOYSA-N 360.505 5.289 0 1 FKAF in-vivo Cc1c(-c2ccccc2Cl)cc(F)c(Nc2ncccc2C(=O)O)c1F 43196572 YGWJPXJALBJJAN-UHFFFAOYSA-N 374.774 5.430 0 1 FKAF CCNC(=O)Nc1ccc(-c2cccc(-c3nc4cccc(C)c4[nH]3)c2)cc1 45210803 SWJNMPGCQWDVQG-UHFFFAOYSA-N 370.456 5.347 0 1 FKAF C[C@H](N)c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)cc1 72118345 PNOYZMBGLQRSAA-VIFPVBQESA-N 354.668 5.065 0 1 FKAF Clc1ccc(Oc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 72180245 KBLLPKQSKVZPGJ-UHFFFAOYSA-N 374.054 5.902 0 1 FKAF COc1ccc2c(c1)CCc1cc(Nc3ccc(F)cc3F)ccc1C2=O 95571943 BVKCZFZNSABENW-UHFFFAOYSA-N 365.379 5.047 0 1 FKAF O=C(O)c1cc(-c2ccc(OCc3ccccc3)cc2)nc2ccc(F)cc12 96923846 MOXPDCMDTDXXHZ-UHFFFAOYSA-N 373.383 5.318 0 1 FKAF O=c1c2cc(Cl)ccc2nc(-c2ccccc2)n1-c1cccc(Cl)c1 103174464 UOKYQJRQRWGPCM-UHFFFAOYSA-N 367.235 5.360 0 1 FKAF O=N[C@@H]1CCc2cc(-c3cc(C4CCNCC4)oc3-c3ccncc3)ccc21 169686182 YERYFQKNIBQWGZ-OAQYLSRUSA-N 373.456 5.229 0 1 FKAF Cc1ccccc1CNc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1 207720619 MBPRBMDDBLSBKX-UHFFFAOYSA-N 368.383 5.299 0 1 FKAF FC(F)(F)Oc1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Cl 586882749 AZDVFPWXJFMLLO-BHGXRVDKSA-N 370.802 5.583 0 1 FKAF Cc1ccc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)s1 586993880 KSDXXOYXRMCLPS-UHFFFAOYSA-N 357.434 5.497 0 1 FKAF Cc1c(Br)cnc2[nH]c(-c3cccc(-c4ccsc4)c3)nc12 587026610 VYSPZRHRLVYQCV-UHFFFAOYSA-N 370.275 5.424 0 1 FKAF Cc1cc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(O)n1 587096009 BEZYGOUPLJXYEB-UHFFFAOYSA-N 366.420 5.139 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@H](C1CCCC1)C4)-c1ccccc1C2=O 587101856 WPTJKJYZVGZJGM-MRXNPFEDSA-N 353.465 5.660 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(OCCF)cc3)nc3cccc1c23 587104062 RABQLBRTKGJREU-UHFFFAOYSA-N 369.395 5.462 0 1 FKAF Cc1c(-c2cc(F)cc(F)c2)nc2cccc3c2c1-c1ccccc1C3=O 587104449 UUUZTXHKDMXUTD-UHFFFAOYSA-N 357.359 5.700 0 1 FKAF COc1cc2c3c(c1)O[C@](CC(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587424291 YNHVADWFVNGSDO-LAUBAEHRSA-N 356.849 5.038 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccccc1SC(C)(C)C)[C@@H](C2)C3=O 587450246 SFNHSKAMMWIBCC-YWZLYKJASA-N 354.471 5.075 0 1 FKAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(C(C)(C)C)CC2=O 587488094 HWYVBHSEUAOPKI-QHCPKHFHSA-N 352.474 5.338 0 1 FKAF CC[C@H](OC)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522938 MDPFNKPXHSTYOW-UPVQGACJSA-N 364.485 5.544 0 1 FKAF CC(C)c1ccc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c2c1 587522983 GHOPHGCROWZTCZ-QHCPKHFHSA-N 359.469 5.877 0 1 FKAF O=C1C[C@@](Cc2ccccc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587527261 ZYRNLCXOWTVAGN-SANMLTNESA-N 368.476 5.669 0 1 FKAF COc1cc(C)ccc1OCc1nc2cccc(OCc3ccccc3)c2[nH]1 587563230 AUJCJMWFVMNNSO-UHFFFAOYSA-N 374.440 5.038 0 1 FKAF CC[C@@]1(c2ccc(C)cc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603737 RGMPMVKMPRBSOU-QPPBQGQZSA-N 374.436 5.276 0 1 FKAF CCC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608997 AWNZHJDYYHVZJY-WIYYLYMNSA-N 366.438 5.111 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)c3cccc(Cl)c3)c(C(F)(F)F)[nH]c12 587624427 LWTRIQNLVNWLDB-UHFFFAOYSA-N 372.173 6.033 0 1 FKAF CC[C@]1(c2cccc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587812160 IOLMSLKIBFFDLA-BFUOFWGJSA-N 362.286 5.084 0 1 FKAF CC(C)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815122 YPNGPSPSSPPCBO-ORAYPTAESA-N 362.286 5.022 0 1 FKAF CCCCC(CCCC)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587820751 QRORWSAJBLCVSP-ORAYPTAESA-N 370.350 6.160 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2C(C)(C)C)N1 587824261 VUZQXKIWRBVTFQ-PEELUZDISA-N 368.334 5.554 0 1 FKAF CC(C)(C)OC(=O)N1CC[C@@H](c2nc(-c3cccc(Cl)c3)cs2)C1 587920917 RBDLTGCSGNVAKM-CYBMUJFWSA-N 364.898 5.188 0 1 FKAF Cc1cc(Br)ccc1-c1nc(-c2cccc(Cl)c2)cs1 587921486 YQUOHNGOXOSMNL-UHFFFAOYSA-N 364.695 6.201 0 1 FKAF CCOc1ccc(OCC)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587944240 BDWVEWJZKJOEQE-UHFFFAOYSA-N 359.372 5.345 0 1 FKAF CO[C@@H]1CCCc2nc(Nc3ccc(Oc4ccccc4C)cc3)sc21 1857769412 CYQNYNFMIMATRH-LJQANCHMSA-N 366.486 6.011 0 1 FKAF CC1=C[C@@H]2[C@H]([C@H](OC(=O)C=Cc3ccccc3)CC(C)=CCC1)C2(C)C 2356477853 JYEVPOCBZDNGDL-MQSCRBSSSA-N 350.502 5.960 0 1 FKAF CCCO[C@@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C1 2356671058 MJCAQBZKCWIVPS-FTBCUJDNSA-N 374.565 5.353 0 1 FKAF CC(C)=CCCC(C)=CCc1c(O)cc(CCc2ccccc2)cc1O 2356674851 WTWZFOPHJSERHR-UHFFFAOYSA-N 350.502 6.118 0 1 FKAF CC(C)=CCc1c(C)cc(Oc2cc(C)cc(O)c2)c(CC=C(C)C)c1O 2356735631 NOSZEBCXYQZSQN-UHFFFAOYSA-N 366.501 6.524 0 1 FKAF CC1(C)OC[C@H]([C@]2(C)CC[C@@]3(C)[C@@H]4CCC[C@](C)(CO)C4=CC[C@@H]3C2)O1 2356745243 NHRGVCNVNSXKEO-FEPKIJIESA-N 362.554 5.079 0 1 FKAF COc1cccc([C@](C)(O)c2nc(-c3csc4ccccc34)cs2)c1 61907546 NPXBZNFNUGWCSN-FQEVSTJZSA-N 367.495 5.289 0 3 FKAF Cc1nc2ccc(C(F)(F)F)cc2nc1Nc1ccc(Cl)c(Cl)c1 1625159 YEPCWMGDSIKJBJ-UHFFFAOYSA-N 372.177 6.007 0 1 FKAF COc1ccc2c(c1)O[C@@H](c1ccc(O)cc1)C[C@@H]2/C=C/c1ccc(O)cc1 13328412 RDUYMQQGTUMXQZ-FBHACNSLSA-N 374.436 5.427 0 1 FKAF CCCCC1=C(c2ccc(C(C)(C)C)cc2)N2CCCN=C2c2ccccc21 13555287 VNBPNFZLNMXVOP-UHFFFAOYSA-N 372.556 6.509 0 1 FKAF O=C(O)c1cc2cc(Cl)ccc2n1Cc1ccc(Cl)c(Cl)c1 13588886 ASHZLURJHGQWMH-UHFFFAOYSA-N 354.620 5.348 0 1 FKAF CC(C)=C1c2ccccc2C=C(N2CCN(C)CC2)c2cc(Cl)ccc21 26380875 HYAGQWNRZOZWBC-UHFFFAOYSA-N 364.920 5.241 0 1 FKAF CCOC(=O)N1CCc2ccccc2Oc2c(Cl)cc(Cl)cc21 26401835 VLGMWNONFSLNKL-UHFFFAOYSA-N 352.217 5.305 0 1 FKAF c1ccc(CCCCN[C@H]2Cc3ccccc3[C@H](c3ccccc3)C2)cc1 26818457 KZXMZCLJNRSAAU-AHWVRZQESA-N 355.525 5.746 0 1 FKAF Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCc2ccc(O)cc2)c1 27557759 WNRLBOITNAUWOQ-UHFFFAOYSA-N 370.496 5.490 0 1 FKAF Cc1ccc(/C=C/c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1 28712428 FZKWXPMZGWTVCW-WUKNDPDISA-N 370.501 5.642 0 1 FKAF CC(C)(C)c1ccc(NC(=O)c2ccc(OC(F)(F)C(F)F)cc2)cc1 29040486 IKKCTHGLTLYMQO-UHFFFAOYSA-N 369.358 5.473 0 1 FKAF Oc1nc2cc(Cl)cnc2c(O)c1Oc1cccc(-c2ccccc2)c1 29342591 OKJPXVUYSUJGNN-UHFFFAOYSA-N 364.788 5.154 0 1 FKAF CC(=O)Oc1ccc(O)c(C[C@@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@@]23C)c1O 85950205 LISRCGYCVNHXKP-MONBJTKQSA-N 372.505 5.364 0 1 FKAF biogenic Cc1ccc(C2=NN[C@@H](c3c(-c4ccccc4)nc4c(C)cccn34)C2)cc1 95591124 OJNLESUENLVXDI-OAQYLSRUSA-N 366.468 5.057 0 1 FKAF CSCCCNc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 96934217 RAAGRRXTDVCVCJ-UHFFFAOYSA-N 358.898 5.192 0 1 FKAF CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1ccc(OC)cc1 103232764 SSBINDAKCMNXCO-JOCHJYFZSA-N 374.436 5.210 0 1 FKAF CO[C@@H]1C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247442 VQEVVFAFQHQQFY-RWDCKZERSA-N 351.465 5.742 0 1 FKAF COc1ccc(CN(Cc2ccccc2)c2cccc(Cl)c2)cc1O 103284540 AFNLNWQBAJKVAI-UHFFFAOYSA-N 353.849 5.261 0 1 FKAF COC(=O)c1ccc(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@H]32)c1 137813948 TWZHUXQQMDYCHL-DQOBCGMHSA-N 356.506 5.520 0 1 FKAF Clc1ccc(NCc2cccc(CNc3ccc(Cl)cc3)n2)cc1 147325871 HENNLVGNGIUYLS-UHFFFAOYSA-N 358.272 5.613 0 1 FKAF COc1ccc(NC(=N)c2ccc(Cl)cc2)cc1CSC1CCCC1 169352356 DUXIZOUPWNWNDN-UHFFFAOYSA-N 374.937 5.962 0 1 FKAF CC(C)=CCC/C(C)=C\CN1C(=O)[C@@]2(OCCC=C[C@@H]2C)c2ccccc21 169355823 BBKUPXVFOVUPDN-VGANPZDKSA-N 365.517 5.534 0 1 FKAF C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2cccc(Cl)c2)n(-c2ccccc2)n1 204750017 RNOWZFOOKJOJKE-GUYCJALGSA-N 366.852 5.293 0 1 FKAF CCCCCCN(c1ccc(O)cc1)c1ccc(OCCCN(C)C)cc1 299857966 PEPWIQISLMHZGH-UHFFFAOYSA-N 370.537 5.441 0 1 FKAF CC(C)c1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(O)c(C(C)C)c1 586897041 WDYXQBSHTVGRII-UHFFFAOYSA-N 364.276 5.884 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1 586964100 USINUKZDBVHQQL-SNVBAGLBSA-N 365.271 5.459 0 1 FKAF Cc1nc2ccc(O)c3c2c(c1Cc1cccc(F)c1)-c1ccccc1C3=O 586988286 IEBUGPLDTLPPGY-UHFFFAOYSA-N 369.395 5.190 0 1 FKAF Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1C 586991108 IMFBEUTYAUCUPN-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF Cc1c([C@@H](C)c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991817 QUMMCKMOBCTOPH-AWEZNQCLSA-N 365.432 5.612 0 1 FKAF Clc1ccc(CC2(c3nc4c(Cl)cnc(Cl)c4[nH]3)CC2)cc1 587072990 BLJDECNREVOBEM-UHFFFAOYSA-N 352.652 5.192 0 1 FKAF COc1ccc(-c2nc3ccc(OC(C)C)cc3[nH]2)c(C(F)(F)F)c1 587097755 NCMHGGKTADDTKT-UHFFFAOYSA-N 350.340 5.045 0 1 FKAF CSc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587135357 XREHXRWHYFTKBO-HYXAFXHYSA-N 356.319 5.151 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(Br)c(F)c3[nH]2)c1F 587152535 PJFQYYULPAWUBI-IUCAKERBSA-N 367.168 5.014 0 1 FKAF O=C(O)Cc1cccc(-c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)c1 587214461 ARAGKXKMQROIOS-UHFFFAOYSA-N 365.432 5.295 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc([C@@H](C)CC)cc1)CC2=O 587477996 AJKQMQSCOLXHKI-WNSKOXEYSA-N 352.474 5.739 0 1 FKAF CC(C)(C)Oc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520446 BSIFECJBUIIALR-XMMPIXPASA-N 364.485 5.623 0 1 FKAF Cc1ccc(-c2n[nH]cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587525661 OQFJJPYLIWHGID-JOCHJYFZSA-N 372.468 5.279 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccccc3F)[nH]c12 587624010 DAVSLQXSYSMUCI-UHFFFAOYSA-N 355.718 5.681 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)c3ccc4c(c3)OCO4)c(C(F)F)[nH]c12 587624317 GQFAITQKLBXSBD-UHFFFAOYSA-N 363.747 5.027 0 1 FKAF C(=C\c1nc2cc3c(cc2[nH]1)OCO3)\c1ccc(OCc2ccccc2)cc1 587785217 YULPPTYWWVRHEM-FLIBITNWSA-N 370.408 5.041 0 1 FKAF CC(C)[C@H]1CC[C@H](C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587820586 ATAKSFXTICDOLC-AEVLCDIHSA-N 368.334 5.410 0 1 FKAF CCCCC/C=C/CC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821599 WEUAFPXHCVELSO-CHYODFHYSA-N 368.334 6.080 0 1 FKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1 587928758 CAVMHPQYGHNCPJ-CYFREDJKSA-N 370.452 5.809 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(-c2ccc(F)cc2)s1 963244612 WUYIWOIIYHLFRV-HJPURHCSSA-N 365.517 6.300 0 1 FKAF COC(=O)[C@H](C)C=CC=C(C)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@]12C 2356444098 KIYHLAKXAOIJFX-QFZWGZQFSA-N 372.593 7.021 0 1 FKAF Brc1ccc2nc(C3CCCCC3)c(Cc3ccccc3)n2c1 72137512 IFBIYQVJMBOTSZ-UHFFFAOYSA-N 369.306 5.735 0 3 FKAF CC(C)CCNC(=O)c1c(C(C)(C)C)noc1-c1cccc2ccccc12 2483859 SRVIMLQVDKQEPE-UHFFFAOYSA-N 364.489 5.568 0 1 FKAF O=C(c1ccccc1)[C@H]1Nc2ccc(Cl)cc2[C@@H]2c3ccccc3C[C@@H]12 6514720 XUTQDVBWBVTKPY-HJNYFJLDSA-N 359.856 5.321 0 1 FKAF CCCCN(CCC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cccc12 13553467 BAXLMZUAHKAOIB-UHFFFAOYSA-N 374.572 7.152 0 1 FKAF CCOc1c2ccoc2cc2oc(/C=C/C=C/c3ccccc3)cc(=O)c12 13672014 IGPWWAIMDXVYHJ-JMQWPVDRSA-N 358.393 5.665 0 1 FKAF CNC(=O)c1cc2c(Oc3ccc(-c4cccs4)cc3)cncc2s1 13864423 ZTSYXRFUSHSYMD-UHFFFAOYSA-N 366.467 5.177 0 1 FKAF CC[C@H](c1ccc(O)cc1)[C@@H](CSCCCN(C)C)c1ccc(O)cc1 27898536 VJLXTKCCMNDNOZ-YADHBBJMSA-N 373.562 5.060 0 1 FKAF CCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12 28371078 XBAISQCEJLBPDM-UHFFFAOYSA-N 363.501 5.457 0 1 FKAF CSc1ccc(C2=C(c3ccc(C)c(C)c3)C(=O)N3CCC[C@H]3C2)cc1 29399795 BOEOTMVEQNQPOR-IBGZPJMESA-N 363.526 5.331 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C=CCC[C@]4(C)[C@H]3C=C[C@@]21C 33820879 SDCFNOCWBVAGES-LVARZUFQSA-N 354.534 6.153 0 1 FKAF CCCC/C=C\C/C=C\CCCCCCCCc1cccc(O)c1C(=O)O 38794996 YUWIWHLZEVCYFN-AFJQJTPPSA-N 372.549 7.056 0 1 FKAF CCC[C@H](O)CC[C@@](C)(O)CC/C=C(\C)CCC1=C(C)CCCC1(C)C 40980368 QFNAZHJHBGQQAF-XFHGLABHSA-N 364.614 6.712 0 1 FKAF Clc1ccc2ncnc(Sc3cccc(Br)c3)c2c1 49031439 BCQBJOAEHSUDBF-UHFFFAOYSA-N 351.656 5.197 0 1 FKAF C[C@H]1C[C@H]1/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 66112352 ZZBNLFUDCSYRKU-KSSLZTCOSA-N 364.573 6.713 0 1 FKAF in-vitro O=C(Nc1cccc(-c2ccccc2)c1)OCCCCCc1ccccc1 70463143 XKFQAFFDOHVHQX-UHFFFAOYSA-N 359.469 6.315 0 1 FKAF CC[C@H](NCc1coc(-c2ccccc2Br)n1)c1ccccc1 72186202 WMKSOCJUYHGIBT-SFHVURJKSA-N 371.278 5.345 0 1 FKAF C1=CC2(CCN(Cc3ccc4[nH]c5ccccc5c4c3)CC2)c2ccccc21 73222819 SXGSUZXOHJURFH-UHFFFAOYSA-N 364.492 5.882 0 1 FKAF c1ccc(COc2ccc([C@@H](C3CC3)n3cnc4ccccc43)cc2)cc1 96938114 CPYDLXDQIBWTRK-XMMPIXPASA-N 354.453 5.615 0 1 FKAF OC1C[C@H]2CC[C@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl 101195649 IWOBORNYYLIANT-ZIAGYGMSSA-N 362.300 5.071 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2[C@H](C)CC1 101197130 MSUHGDQBGRIICK-GVDBMIGSSA-N 356.550 7.067 0 1 FKAF O=c1c([C@@H]2C[C@H](c3ccccc3)ON2c2ccccc2)coc2ccccc12 136826059 HWIFKSAEHSBJDV-JTHBVZDNSA-N 369.420 5.417 0 1 FKAF O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccsc12 167762543 ARUPQDKEVCEXQP-UHFFFAOYSA-N 354.818 5.545 0 1 FKAF COC(=O)c1c(/C=C/c2ccc(F)cc2)cc(OC)c(CC=C(C)C)c1O 207994766 WIAQRCGIXMEPKE-RMKNXTFCSA-N 370.420 5.006 0 1 FKAF CC1(C)OC(=O)N(C2CCC(c3cccnc3)CC2)[C@H]1c1ccccc1 218055772 CMJJDMUSHIWMBO-GQOXECLESA-N 350.462 5.080 0 1 FKAF CCOc1cc(-c2c(C)nc3cc(OC)c(Cl)cc3c2O)ccc1F 299820556 GXJFOLVKTDWJKA-UHFFFAOYSA-N 361.800 5.116 0 1 FKAF Cc1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1C 586958551 GJQHSNDOVJFFQC-MHZLTWQESA-N 374.509 5.218 0 1 FKAF Cc1cc(Br)cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023929 SMIDGPOCPWYLLG-UHFFFAOYSA-N 370.275 5.424 0 1 FKAF C/C(=C\c1ccccc1)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099928 YBJOLZYTEBHQNG-SAPNQHFASA-N 361.444 6.315 0 1 FKAF Fc1ccc(/C=C(\c2nc3ccnc(Cl)c3[nH]2)c2cccs2)cc1 587162958 DMLIKGWOAPDENN-RAXLEYEMSA-N 355.825 5.401 0 1 FKAF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc(C)c1O 587207318 RKSSYEFKQXJBAE-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF CO[C@](C(=O)c1coc2ccc(Cl)cc12)(c1ccccc1)C(F)(F)F 587279072 VJRJDSMRJCVZIN-KRWDZBQOSA-N 368.738 5.373 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC(F)(F)C3)c1 587358412 AZEAYGRDMTZQQC-UHFFFAOYSA-N 365.379 5.781 0 1 FKAF COc1cccc(-c2c(C)c([C@H](C)CN(C)C)nc3c2oc2ccccc23)c1 587359836 JANQPRYRZTZUCZ-OAHLLOKOSA-N 374.484 5.630 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c3cc(C(C)C)ccc(C)c1-3)O2 587407127 XIIBZELWBPNQLK-QHCPKHFHSA-N 373.496 6.129 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccccn3)cc2)Oc2c1ccc1c2CCCC1 587513585 DBDXFBZACVTPIJ-HSZRJFAPSA-N 355.437 5.334 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cccc(Cl)c3)c2c1 587641115 KAHPXPMEYLYCBY-LBPRGKRZSA-N 369.848 5.352 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(F)=C(F)F)N1 587702120 DAJHXIBDCPDLRV-ANRSDYALSA-N 366.196 5.195 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2CCCC3)N1 587822294 JSIGTNYTIAAPFX-FKIZINRSSA-N 374.297 5.091 0 1 FKAF Oc1ccc2c(c1)Cc1c(-c3ccccc3O)cc(-c3ccccc3)nc1-2 1857567065 MSUNGLTWAAQUTQ-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF COc1ccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1 1857615292 GQCQINFBHHBADJ-UHFFFAOYSA-N 358.850 5.721 0 1 FKAF O=Cc1cc2c3ccccc3n(Cc3ccccc3)c2c(-c2ccccc2)n1 1857760469 WGEOPRIGKOLXKJ-UHFFFAOYSA-N 362.432 5.717 0 1 FKAF Cc1nc2ccccc2c(-c2ccc(F)cc2)c1[C@@H](OC(C)(C)C)C(=O)O 1857773895 ZQUSJRJSTUBXAB-HXUWFJFHSA-N 367.420 5.290 0 1 FKAF CC[P@@](=O)(OC)c1ccc2nc(-c3ccc4ccccc4c3)oc2c1 1911573304 NWPOLBMOTQFTOW-RUZDIDTESA-N 351.342 5.218 0 1 FKAF CC(C=Cc1oc(=O)c2c(c1C)O[C@@H](C)C2(C)C)=Cc1[nH]ccc1Cl 2356727150 IMYZEZLKASQAKN-ZDUSSCGKSA-N 359.853 5.105 0 1 FKAF COc1ccccc1-c1cc2c(Nc3cccc(N(C)C)c3)nccc2[nH]1 74387079 WDEHOTLCWDVCFX-UHFFFAOYSA-N 358.445 5.048 0 3 FKAF Clc1cccc(Cc2c(-c3ccco3)nc3c4ccccc4ccn23)c1 95571532 NUWRYCKHCCRIAR-UHFFFAOYSA-N 358.828 5.992 0 3 FKAF c1ccc(C(Oc2ccc(CNc3ccncc3)cc2)c2ccccc2)cc1 2005766 NGTLTHLKZHQFMU-UHFFFAOYSA-N 366.464 5.862 0 1 FKAF CNCCC[C@@]1(C)Cc2ccccc2N(c2ccc(C(C)C)cc2)C1=O 28526943 CSIVTULLSFNYFC-QHCPKHFHSA-N 350.506 5.037 0 1 FKAF COc1ccc(Oc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 72179379 RUGVHIFDVVGATM-UHFFFAOYSA-N 369.635 5.257 0 1 FKAF C[C@@H](CNc1cc(-c2cccc(-c3ccccc3)c2)ncn1)c1ccccc1 82161312 MEYVTSQTAXSFDW-IBGZPJMESA-N 365.480 6.026 0 1 FKAF CC(=O)N1CCCC2=C(C[C@H]3CCC[C@@H]4C[C@@H](C)C[C@@H](C)N34)C[C@@H](C)C[C@H]21 85856639 SQVLMNRAYSGFIW-HXTWGMIFSA-N 372.597 5.155 0 1 FKAF Cc1ccc(-c2nc3c(C)cccn3c2[C@H]2CC(c3cccs3)=NN2)cc1 95586569 ZJNNPUBWVBTYAB-GOSISDBHSA-N 372.497 5.118 0 1 FKAF COc1ccc(Nc2nc(-c3c(Cl)cccc3Cl)cs2)cc1 103279004 FRPXIQKXAASKQL-UHFFFAOYSA-N 351.258 5.869 0 1 FKAF CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(F)c2)C2=C(O)CCCC2=N1 103521121 ZNKHGJYOYUBSOK-FQEVSTJZSA-N 369.436 5.120 0 1 FKAF Cc1nc(-c2ccc3c(c2)c(Cl)c(C)n3CC(C)C)sc1C(=O)O 145035585 CPDQDAJUQUSSFA-UHFFFAOYSA-N 362.882 5.389 0 1 FKAF O=N[C@H]1CCc2cc(-c3cn(C4CCCC4)nc3-c3ccncc3)ccc21 169686099 KLVLOCJNJSWYTC-NRFANRHFSA-N 358.445 5.481 0 1 FKAF Fc1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1 299832210 SNUJSWGUUCLHKM-UHFFFAOYSA-N 354.388 5.661 0 1 FKAF O=c1cc(/C=C/c2cccnc2)occ1Oc1ccc(Cl)cc1Cl 473115005 QLHRJAIECFJQTI-HWKANZROSA-N 360.196 5.304 0 1 FKAF Oc1ccc(C(c2ccc(O)cc2)[C@@H]2CCCC3(CCCCC3)C2)cc1 473154383 GTPUZYIQIWTBRY-HXUWFJFHSA-N 350.502 6.370 0 1 FKAF CCc1oc2ccccc2c1-c1nc2cc(Br)cc(C)c2[nH]1 586902579 BXNAWBZYNNPYIN-UHFFFAOYSA-N 355.235 5.609 0 1 FKAF FC(F)(F)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587049084 KVEATLBSKVHYBL-ZJUUUORDSA-N 371.189 6.160 0 1 FKAF Cc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(F)c1 587146836 YANJNUGPFPUSET-UHFFFAOYSA-N 373.147 5.459 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 587162995 FHHVLWBVRHYMFP-UHFFFAOYSA-N 364.232 5.799 0 1 FKAF Fc1c(Br)ccc(Cl)c1-c1cc2c3c(cccc3n1)CC2 587210026 BBRQNZYZAGCHEM-UHFFFAOYSA-N 362.629 5.555 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c3ccccc13)CC2=O 587480272 ONCZTJBNZXXSOD-JOCHJYFZSA-N 362.425 5.213 0 1 FKAF O=C1C[C@@](c2ccc(Cl)cc2)(C2CC2)Oc2c1ccc1c2CCCC1 587498711 GCJZEYZLWGKTAE-QFIPXVFZSA-N 352.861 5.490 0 1 FKAF O=C1C[C@H](c2ccc(OC(F)F)c(F)c2)Oc2c1ccc1c2CCCC1 587504372 IWJOAZMKBXYGBV-GOSISDBHSA-N 362.347 5.012 0 1 FKAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587540462 AIVLMNGFVIWMCM-WIYYLYMNSA-N 366.800 5.057 0 1 FKAF CCC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 587629777 HFGFZFZTXBFJCV-UHFFFAOYSA-N 369.745 6.239 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C)cc3)c2c1 587642632 UBXPGQIKQBDJHX-ZDUSSCGKSA-N 359.391 6.240 0 1 FKAF Cc1cccc(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587691978 JESQREDEDZULFR-BMLIUANNSA-N 368.677 5.174 0 1 FKAF Cc1ccc([C@@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587814793 IZCVBHLZYIHFIM-RBZFPXEDSA-N 374.297 5.084 0 1 FKAF CC[C@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814886 WNAODQYZZFOTMJ-ORAYPTAESA-N 362.286 5.084 0 1 FKAF Cc1ccc(/C=C\[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587816423 YAQPOTUUWXDHOY-FRVTXMTISA-N 374.297 5.359 0 1 FKAF CSc1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1 587926473 YYPCQULCTWUPLD-UHFFFAOYSA-N 352.406 5.613 0 1 FKAF COc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1OC 587949274 DQXNIUQKQZNMSK-OUKQBFOZSA-N 372.424 5.543 0 1 FKAF COc1cccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c12 587957795 VEKOSLCTNLUKJA-UHFFFAOYSA-N 360.498 5.490 0 1 FKAF CC/C(=C/c1nc2ccc(Br)c(C)c2[nH]1)c1ccc(C)cc1 587968455 SWZBPAMVNFCUTN-KAMYIIQDSA-N 355.279 5.893 0 1 FKAF CN1C(=CC=C2C=Nc3ccccc32)C=C(N2CCCCC2)c2ccccc21 1857577816 WRJOSTKOLBQZTD-UHFFFAOYSA-N 367.496 5.647 0 1 FKAF CC1=CCC(C)(C)C=CC[C@]2(C)Oc3cc(O)cc(C)c3C[C@@H]2C[C@H]1O 2356690261 QTNDIUYXNQSFIE-LLBVYWAGSA-N 356.506 5.084 0 1 FKAF CC(=O)O[C@@H]1C[C@]2(O)[C@H]([C@@H]1C)[C@@H]1[C@@H](C(C)=CCCC(C)(C)C)CC[C@@]12C 2356696482 BJMNBTCOSIQTLE-IMZMTJGUSA-N 362.554 5.124 0 1 FKAF COc1ccccc1Nc1nc(C(Cl)(Cl)Cl)nc2ccccc12 5586925 FGCZFLQRLNORKU-UHFFFAOYSA-N 368.651 5.209 0 1 FKAF CC(C)C[C@H](SC1CCCCC1)c1c(O)cc(-c2ccccc2)oc1=O 13740581 WSMLOMCZUGUJEP-FQEVSTJZSA-N 372.530 6.166 0 1 FKAF CCNc1cccc2c1nc(Nc1c(C)cccc1Cl)c1cncn12 26573126 QRQHDXRYNGLCBT-UHFFFAOYSA-N 351.841 5.020 0 1 FKAF O=C(O)C[C@H]1CC[C@@H](c2ccc(OCc3ccc4ccccc4n3)cc2)C1 26675352 QLCYDOOHNFRQMA-QFBILLFUSA-N 361.441 5.172 0 1 FKAF COc1cccc([C@H]2CC(c3cccc(O)c3)=Nc3ccccc3S2)c1 40429450 LXEROSHHBFWCRJ-JOCHJYFZSA-N 361.466 5.759 0 1 FKAF CCCCN1CN(CCCC)[C@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 40737493 WDJZHIZFCHPNHV-ZRZAMGCNSA-N 368.521 5.056 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1)[C@H](SC1CCCCC1)n1ccnc1 45357236 AIFQXDRBVDUMGY-MOPGFXCFSA-N 364.942 5.879 0 1 FKAF COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c(C)c2)n1 59239871 OFWBTICJLSHGKV-UHFFFAOYSA-N 356.425 5.696 0 1 FKAF O[C@H]1c2ccccc2C[C@]1(Cc1ccccc1)C1=Cc2ccccc2CC1 71340477 VLHRUWJMZKYRCS-IZZNHLLZSA-N 352.477 5.535 0 1 FKAF CC(=O)OC[C@]1(C)CCC[C@@H]2C1=CC[C@H](C)[C@]2(C)CC[C@@H](C)CC(=O)O 85828579 AQFJNPAKSUOMPS-YGARQZMPSA-N 364.526 5.219 0 1 FKAF biogenic O=C1N(c2ccc3sc(Cl)cc3c2)CCN1c1cnccc1C1CC1 144053295 IJLNPQPMWBWCDQ-UHFFFAOYSA-N 369.877 5.274 0 1 FKAF CCCOc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(OCCC)c1 169346117 XSJIWUVNYJFFLV-WOJGMQOQSA-N 371.864 5.410 0 1 FKAF Cc1ccc(-c2cc([C@@H]3[C@H](c4ccc(C)cc4)C[C@H]4CC[C@H]3N4C)on2)cc1 261115193 IQNHMRJZPKQKFD-SWXWDQRWSA-N 372.512 5.692 0 1 FKAF COc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccccc2)cc1 299827462 JRROZBAWFHTTRO-UHFFFAOYSA-N 373.477 5.787 0 1 FKAF CC[C@@]1(C)C[C@@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 586885835 AHFIBBWPMHYYIR-SZNDQCEHSA-N 367.424 5.136 0 1 FKAF Cc1c(-c2ccnc(Cl)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985330 CDIAWEGQNLWNFH-UHFFFAOYSA-N 372.811 5.176 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc(Cl)c3O)nc3ccc(O)c1c23 586986165 OHDKSZSGJRILDR-UHFFFAOYSA-N 373.795 5.178 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cccc(C(=O)O)c2[nH]1 587014775 QMGAZXRQHPAMBF-UHFFFAOYSA-N 369.833 5.013 0 1 FKAF Oc1ccc2scc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2c1 587033568 XKYHIIBZPQAFGY-UHFFFAOYSA-N 358.422 5.943 0 1 FKAF Cc1cc2[nH]c(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc2c(C)n1 587067477 CCIUOMRQVHYNDW-UHFFFAOYSA-N 363.848 5.054 0 1 FKAF Cc1ccc(-c2cc(-c3nc4ccccc4[nH]3)c3cccc(Cl)c3n2)o1 587083382 QYDKTTFHSZALDO-UHFFFAOYSA-N 359.816 6.000 0 1 FKAF Fc1c(Cl)cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1F 587085909 NLTOMUDOWUIXIX-UHFFFAOYSA-N 350.155 5.363 0 1 FKAF Fc1cc(C(F)(F)F)ccc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587109693 MBYDHXUAUGHKRY-UHFFFAOYSA-N 372.321 6.180 0 1 FKAF CC[C@]1(c2ccc(C)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359839 ZZFJXFCXGNOJFK-IFMALSPDSA-N 366.388 5.097 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1cc(C)sc1C)(C(C)C)CC2=O 587493186 RAIXFIRSGZTHDV-OAQYLSRUSA-N 358.503 5.540 0 1 FKAF Nc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1-2 587507277 BSGNJOHJPPBZGT-VWLOTQADSA-N 367.448 5.037 0 1 FKAF O=C1C[C@@H](c2cccc(-c3cccc(O)c3)c2)Oc2c1ccc1c2CCCC1 587534761 YHENLXNYWFUSBN-DEOSSOPVSA-N 370.448 5.645 0 1 FKAF CC(C)(c1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600026 KGKVXDVTNKYMAL-HYBUGGRVSA-N 374.436 5.090 0 1 FKAF CCc1c(-c2ccc(Cl)cc2Cl)[nH]c2ccc(S(C)(=O)=O)cc12 587648657 CZTREWQJFJMOGB-UHFFFAOYSA-N 368.285 5.108 0 1 FKAF C/C(=C\c1ccccc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816365 XDWMCUXTHPSJKC-ACBUOYKHSA-N 374.297 5.441 0 1 FKAF CC(C)=C1CC[C@@H](C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587819239 UNWPOCBLRPALAR-NQCMUKECSA-N 366.318 5.474 0 1 FKAF Cc1cc(-n2nc3cc2Oc2ccc(F)cc2-3)c2cccc(C(C)C)c2n1 587875850 UGSBJMSZQHAIHD-UHFFFAOYSA-N 359.404 5.764 0 1 FKAF C[C@@H](Cc1nc(-c2cccc(Cl)c2)cs1)n1ccc(C(F)(F)F)n1 587920055 CBUWHDPNAVMVMU-JTQLQIEISA-N 371.815 5.483 0 1 FKAF C[C@@H]1C[C@@H]2[C@@H](C[C@@]13c1ccsc1CCN3C(N)=O)C(C)(C)CCC2(C)C 962710546 MFMOWXDEGAZEQI-MRXJONPPSA-N 374.594 5.389 0 1 FKAF COc1ccc(C)c(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c1 1857643399 PWGZBHXCQQIVLT-UHFFFAOYSA-N 353.368 5.201 0 1 FKAF CC1=C([C@H](C)CCCC(C)C)CC[C@]12CC[C@@H]1[C@@H]2CC[C@@H]2CCCC[C@@]21C 2356613577 QNEPSTOKGZVQKP-UKHZBKIVSA-N 370.665 8.562 0 1 FKAF CC(=O)OCC[C@]1(C)CC[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]23C)O1 2356684630 VPMIZQQBIXRMPF-NQOGSSOHSA-N 350.543 5.510 0 1 FKAF COC(=O)C[C@H](C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2C=C[C@@]1(C)OC 2356725479 GLCPAKRBJQFMMZ-BORKMBCGSA-N 350.543 5.390 0 1 FKAF CCCN(C)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 13553414 QMPWDKADELJZDE-UHFFFAOYSA-N 363.292 5.097 0 1 FKAF O=C(O)CCCOc1cccc(/C=C/c2ccc3cc(Cl)ccc3n2)c1 13727969 LAURNBCWALNAEO-RMKNXTFCSA-N 367.832 5.302 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCC 13761106 UFBCBSNKWKPSRJ-SNPVRQPZSA-N 359.598 7.048 0 1 FKAF COc1ccc(OC)c(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)c1 26643014 OJFUHLOGAMKMDM-UHFFFAOYSA-N 374.415 5.567 0 1 FKAF CN(C)CCCN1c2cc(C(F)(F)F)ccc2Sc2ccsc21 26981545 ZMACETBWULNHRR-UHFFFAOYSA-N 358.454 5.321 0 1 FKAF CCCCC/C=C/Cc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@@H]21 27761664 OXYFFHDPKGORMT-FBWYZNFGSA-N 354.534 6.682 0 1 FKAF CC(=O)O[C@@]1(C(C)(C)C)CCN2C[C@@H](c3ccccc3Cl)CC[C@@H]2C1 29414769 PBSYGFJJRVJKBY-FVJLSDCUSA-N 363.929 5.030 0 1 FKAF Fc1ccc([C@H](CCn2ccnc2)Oc2c(Cl)cccc2Cl)cc1 40980117 SRNJMXQTCVGLOQ-KRWDZBQOSA-N 365.235 5.539 0 1 FKAF Oc1c(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl 87612846 UJKLVGSDHORJRP-UHFFFAOYSA-N 371.676 6.220 0 1 FKAF CCCCN1CCC(COc2noc3cccc(OC4CCCC4)c23)CC1 95578048 PMEDSYVIMDDMCR-UHFFFAOYSA-N 372.509 5.040 0 1 FKAF CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1ccc(OC)cc1 103232766 SSBINDAKCMNXCO-QFIPXVFZSA-N 374.436 5.210 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 586882833 BWHKGGIDMGELPE-UHFFFAOYSA-N 358.388 6.303 0 1 FKAF Fc1cc(F)c2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2c1 587150791 SPAGGCRUAVQJEU-GOSISDBHSA-N 353.347 5.182 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC[C@H]3CO)c1 587365379 GPRPCHGCEQFLBA-HNNXBMFYSA-N 359.425 5.069 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc([C@@H](C)OC)cc1)CC2=O 587483268 PZZQBBROGKYBMB-CMJOXMDJSA-N 368.473 5.323 0 1 FKAF O=C1C[C@H]([C@H]2CCC[C@H](C(F)(F)F)C2)Oc2c1ccc1c2CCCC1 587510685 XIMNZSMVFWPNFG-SUNYJGFJSA-N 352.396 5.268 0 1 FKAF O=C1C[C@H](c2ccccc2-c2ccncc2)Oc2c1ccc1c2CCCC1 587513758 FIPVEUFFHADTSS-HSZRJFAPSA-N 355.437 5.334 0 1 FKAF Cc1cccnc1[C@@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587518256 DLDAMJXBNGTCCJ-KOSHJBKYSA-N 361.485 5.331 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H](c1ccccc1)C2 587605363 ZENIPNCBUPPLNB-JBUDQFAYSA-N 372.420 5.060 0 1 FKAF CC(C)CC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814965 XDMZFBKRMJWILS-ORAYPTAESA-N 370.350 5.800 0 1 FKAF Cc1ccc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587815930 RMBAPCGSNXLJAS-YJYMSZOUSA-N 362.286 5.003 0 1 FKAF CC[C@]1(c2ccsc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587846972 VPKMRFGHSXFYFV-DYZYQPBXSA-N 368.315 5.146 0 1 FKAF COc1cccc(-c2cccc(-n3c(OC(C)(C)C)cc(C)c3O)c2)c1 587927574 WZRZJEZKNRJIBL-UHFFFAOYSA-N 351.446 5.344 0 1 FKAF CC[C@H](C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587956488 RTZGKTCHVSPODW-LBPRGKRZSA-N 359.267 5.418 0 1 FKAF Fc1cc2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2cc1Br 587966451 HRNAKIDWOBEAQN-UHFFFAOYSA-N 361.258 5.304 0 1 FKAF Cc1c(F)ccc2c1[C@H](c1ccc(-c3ccc(C(C)(C)C)cc3)o1)NCC2 962298416 LVFMVWCLPNRLIL-QHCPKHFHSA-N 363.476 5.927 0 1 FKAF C[C@@H]1CCC[C@@H](C)C12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962954005 KUIDGFMYTPKNBU-HUUCEWRRSA-N 367.455 5.008 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(C3CCCCC3)cc2)N1 962962401 VIPUDLZFVDXYAL-LVXARBLLSA-N 372.556 6.403 0 1 FKAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccnc(NC#N)n1 1857762934 PUEYWFBUIMUJMJ-UHFFFAOYSA-N 369.453 5.136 0 1 FKAF CCCCC[C@@H](O)C=CC=CCC1(CCCCCC(=O)O)CCCC1 2356779519 UTKDYHXVWRJHJE-HXUWFJFHSA-N 350.543 6.026 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@H]4C3=CC[C@@H]12)COC5=O 2356795829 MMTHWGHPMFCUNV-RWNGYRPQSA-N 354.534 5.829 0 1 FKAF CC1(C)C=Cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2O1 5762072 DAEGRMCFFPVKAH-UHFFFAOYSA-N 372.464 6.029 0 1 FKAF CSc1sc(C(=N)N)cc1-c1nc(-c2ccc(Cl)cc2)cs1 13437881 OMMIMDGHTTXEFT-UHFFFAOYSA-N 365.936 5.198 0 1 FKAF CC(C)Nc1nc2ccc(-c3ccnn3-c3ccccc3Cl)cc2s1 29041785 MUWUVUKYJNWSOO-UHFFFAOYSA-N 368.893 5.623 0 1 FKAF CCCCCCOc1cccc(-c2cccc(OCCCCCC)n2)n1 36453222 HKLDLXAOOYDGBI-UHFFFAOYSA-N 356.510 6.062 0 1 FKAF CCCCOP(=O)(OCCCC)O[C@H](c1ccccc1)C(F)(F)F 45284459 BREZEIOVGIZIOU-OAHLLOKOSA-N 368.332 6.048 0 1 FKAF in-vivo C[n+]1cccc(N(CCCCCC2CCCCC2)c2ccc(F)cc2)c1 66166227 YVEUJUZPHHNDTO-UHFFFAOYSA-N 355.521 5.929 0 1 FKAF CC(C)=CCC/C(C)=C/COc1c2ccoc2c(O)c2oc(=O)ccc12 73220658 NYBJTQCCTNMUBM-NTEUORMPSA-N 354.402 5.316 0 1 FKAF O[C@@H](c1ccc(Cl)c(F)c1)c1nc(-c2ccc3ccccc3c2)c[nH]1 74385532 ZMZGCFMTRFBPKS-IBGZPJMESA-N 352.796 5.104 0 1 FKAF Cc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccco2)sc1C 82165429 OLZOHUYTDXEKFS-MLGOLLRUSA-N 368.506 5.468 0 1 FKAF C=C[C@@H]1CSC(C[C@H](C)[C@H](C)C[C@H](C)CCN(C)C(=O)[C@H](C)CC)=N1 85955723 PHYRFZDJEDWWKT-IEWDOMPSSA-N 366.615 5.269 0 1 FKAF biogenic Cc1ccc2c(Sc3ccc(Cl)cc3Cl)c(C(=O)O)[nH]c2c1 95583075 OCZRNBFZMJYOBR-UHFFFAOYSA-N 352.242 5.633 0 1 FKAF CCCCC[C@@](C)(O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2CC[C@@H]1C2 100930199 ZVXFCSQGGXYOEG-GPVFBGOKSA-N 362.554 5.737 0 1 FKAF CC[C@@]12C=C(/C=C/c3ccccc3)[C@](CC)(C1)[C@H](c1ccccc1)CC2=O 102733214 NLQQTNRSVHYIMW-RRHUMNCGSA-N 356.509 6.579 0 1 FKAF CCCCN(CC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)c1SC 169309991 VSZCPXUZMLXHMW-UHFFFAOYSA-N 372.582 5.802 0 1 FKAF CCCC[C@](C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O 169321119 VSSXHHCZDNVHRM-NRFANRHFSA-N 366.567 6.113 0 1 FKAF Nc1cc2c3c(c1)c(C(F)(F)F)c(CCCOc1ccccc1)n3CCC2 205271901 XRMJXPDOJPWTHL-UHFFFAOYSA-N 374.406 5.200 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(Cl)cccc1C3 586985825 KNTNGOMCVAGDTD-UHFFFAOYSA-N 369.807 5.376 0 1 FKAF CC(C)(C)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587004556 WTAJAFGMAPRNFC-UHFFFAOYSA-N 369.266 5.166 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(C(C)(C)C)c2[nH]1 587070089 PRYBNPAEACETTR-CYBMUJFWSA-N 354.881 5.890 0 1 FKAF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cnc1Cl 587103105 BPDGUYNZSMDZGG-UHFFFAOYSA-N 356.812 5.470 0 1 FKAF Fc1cc(Cc2nc3c(F)cnc(Cl)c3[nH]2)ccc1-c1ccccc1 587145948 WNGGKGLZWSOKKE-UHFFFAOYSA-N 355.775 5.147 0 1 FKAF CC[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355680 VZMLMJTYCDZYQR-JEWAVWJGSA-N 354.421 5.229 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1c(Cl)ccc(Cl)c1Cl)[C@@H](C2)C3=O 587420636 IGZAHASKJHUJCN-XYZCENFISA-N 369.631 5.144 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc(C)cc4)cc1)[C@@H](C2)C3=O 587443159 PCYMACFOBOONFE-GBXCKJPGSA-N 372.420 5.285 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(O)ccc(Cl)c1Cl)CC2=O 587462924 SRHFUAABVPBVDZ-HNNXBMFYSA-N 367.228 5.064 0 1 FKAF CCCCOc1cccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 587482653 PQJQHQQXYCEBTH-OAQYLSRUSA-N 354.446 5.230 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1C1CCC1)CC2=O 587489290 OISRLBVEVIUIOH-QHCPKHFHSA-N 350.458 5.493 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1cccs1)CC2=O 587494286 KTPFAIXXIAXUER-HXUWFJFHSA-N 364.466 5.780 0 1 FKAF O=C1C[C@]2(CCCOc3cc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587499137 HJHXPEMBBXKXGR-QFIPXVFZSA-N 368.860 5.252 0 1 FKAF O=C1C[C@H](c2cccn2-c2ccccc2F)Oc2c1ccc1c2CCCC1 587508530 ZDZKZABMVGHNFL-JOCHJYFZSA-N 361.416 5.202 0 1 FKAF CC[C@]1(c2ccccc2OC(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587508972 USBGYRBOVNJCKB-JOCHJYFZSA-N 372.411 5.438 0 1 FKAF CC(C)=CCC[C@H](C)C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601759 HASALYPFBNNQBD-DQLDELGASA-N 366.457 5.495 0 1 FKAF C[C@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614869 DHMNZVLOPWVHQU-NFBKMPQASA-N 372.376 5.015 0 1 FKAF Cc1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622154 YXESLERJOOMFHV-UHFFFAOYSA-N 360.642 5.436 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]c12 587625047 ZZXUEVHZGFUVCL-UHFFFAOYSA-N 352.264 7.117 0 1 FKAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3cc4ccccc4o3)[nH]c12 587638852 RHUBDKOJSTUKNP-UHFFFAOYSA-N 373.286 5.024 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)NCc3ccccc3Cl)c2c1 587641304 MJYRDKYWFPBXLD-CYBMUJFWSA-N 354.881 5.573 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3c(C)n(CC(=O)O)c4ccccc34)c(C)c2c1 587643997 YNGFYYWZXISFGY-CQSZACIVSA-N 374.484 6.005 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Cl)c2)N1 587696153 CVGLMJPDVKETET-BMLIUANNSA-N 368.677 5.039 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC[C@@H]2C[C@H]3CC[C@H]2C3)N1 587820364 PBOVHWHHZTUGOC-KAHPBISDSA-N 366.318 5.380 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c2)c1 587932071 KKAZOSRJCBFWMF-UHFFFAOYSA-N 373.456 5.304 0 1 FKAF COc1cccc([C@@H](C)Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587933021 YGJYHKAVDQSHJO-INIZCTEOSA-N 370.452 5.149 0 1 FKAF Cc1cc(OC(C)(C)C)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O 587945262 LCFKUOCUMCXNAE-GOSISDBHSA-N 371.452 5.634 0 1 FKAF COc1ccc2c(c1)[C@@H](c1ccc(-c3ccc(C)cc3)o1)N(C(C)C)CC2 962088585 GNUWINCRQUDTDL-DEOSSOPVSA-N 361.485 5.620 0 1 FKAF Oc1ccc(-c2cnn3ccc(-c4cccc(C(F)(F)F)c4)cc23)c(F)c1 2382226163 SGXOMVOTYURMIP-UHFFFAOYSA-N 372.321 5.532 0 1 FKAF Cc1cc(Br)cc(-c2ccc3c(c2)C(C)(C)OC(=S)N3)c1 13488860 WUJWTXWFRXJYKR-UHFFFAOYSA-N 362.292 5.387 0 1 FKAF C[C@H](CC1CCCCC1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13863332 VDNBNMMWEUVRCA-GOSISDBHSA-N 366.505 6.302 0 1 FKAF CC(=O)Oc1ccccc1C(=O)Nc1ccc(Sc2ccccc2)cc1 28003017 WBVHONPPPFDLFB-UHFFFAOYSA-N 363.438 5.015 0 1 FKAF CCc1ccc(-c2c(-c3cc(C)no3)c(=O)[nH]c3ccc(Cl)cc23)cc1 29126354 QQBZYCMMAPITCR-UHFFFAOYSA-N 364.832 5.374 0 1 FKAF COc1cccc(-n2nc3c(c2-c2ccc(C)c(Cl)c2)C(=O)CCC3)c1 73240751 HDHLDEJNYBAWIY-UHFFFAOYSA-N 366.848 5.029 0 1 FKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1C(C)(C)C)CCCC3 113125669 MSWMDEDGZCENPR-CQSZACIVSA-N 359.535 5.749 0 1 FKAF c1ccc2c3ccn(CCn4ccc5c6ccccc6nc-5c4)cc-3nc2c1 377820922 NRXOIERIBIBJQI-UHFFFAOYSA-N 362.436 5.296 0 1 FKAF Cc1cc(C)c2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)[nH]c2c1 586880262 WKJBEEXYCMJFJP-UHFFFAOYSA-N 356.425 5.520 0 1 FKAF c1ccc(COc2ccc3nc([C@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586883442 JSYWQLMPKKLNRF-AHUWJOPLSA-N 358.485 5.610 0 1 FKAF c1ccc(COc2ccc3nc([C@@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586883444 JSYWQLMPKKLNRF-MRBHHPDMSA-N 358.485 5.610 0 1 FKAF O=C(O)c1cccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587063298 SMHSPISDLMMVAU-UHFFFAOYSA-N 362.816 5.172 0 1 FKAF CC(C)(C)c1cccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c12 587080908 HEXZPILIKPXAFD-UHFFFAOYSA-N 355.869 5.114 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc5[nH]ccc5c4)nc13)-c1ccccc1C2=O 587097036 NTXSPVUFRZVSGV-UHFFFAOYSA-N 360.416 5.903 0 1 FKAF Cc1cccc(Cc2c(C)nc3c(C)ccc4c3c2-c2ccccc2C4=O)c1 587099897 XAEFRXOSMLGYTD-UHFFFAOYSA-N 363.460 5.962 0 1 FKAF Cc1cccc([C@H]2Cc3nc4c(C)ccc5c4c(c32)-c2ccccc2C5=O)c1 587100434 JYZVNITVAKMFFP-HXUWFJFHSA-N 361.444 5.751 0 1 FKAF Cc1cc(Br)cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587151814 IVUPEJALLPCESL-VXGBXAGGSA-N 363.205 5.183 0 1 FKAF COc1cccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587152194 XJJIQPGZZBAIBV-HXUWFJFHSA-N 366.367 5.018 0 1 FKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cncc(Cl)c2[nH]1 587246687 FBDYYCNKSKWHKS-UHFFFAOYSA-N 364.836 5.026 0 1 FKAF COc1cccc(-c2cc(C(C)(OC)OC)nc3c2oc2ccccc23)c1 587362098 DSPKTMIOZMRAOH-UHFFFAOYSA-N 363.413 5.122 0 1 FKAF COc1cccc(-c2cc(C3(C)CCCCC3)nc3c2oc2ccccc23)c1 587364532 CYNCHURRBJIFTC-UHFFFAOYSA-N 371.480 6.878 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1Cl)(C1CCCC1)O2 587379078 RZZYIWPMPSXSRL-OAQYLSRUSA-N 355.865 5.282 0 1 FKAF O=C1C[C@H](c2ccc(OC(F)F)cc2F)Oc2c1ccc1c2CCCC1 587509022 VXSYWVNBXWBCAJ-GOSISDBHSA-N 362.347 5.012 0 1 FKAF O=C1C[C@H](CCc2cccc3ccncc23)Oc2c1ccc1c2CCCC1 587516657 ZCUYHMHMNAHOPX-IBGZPJMESA-N 357.453 5.080 0 1 FKAF Cc1ccc(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527812 WSERJURRCGZUSG-RUZDIDTESA-N 368.476 6.247 0 1 FKAF CC(C)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603607 QBRGGYZDRVDKHY-OFNKIYASSA-N 360.409 5.219 0 1 FKAF CC(C)(C)OC(=O)Nc1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587631080 GBXRDGGMQMZIGN-UHFFFAOYSA-N 360.816 5.974 0 1 FKAF CCOC(=O)c1c(-c2ccc(OCC)c(Cl)c2)[nH]c2cccc(F)c12 587632499 GHQLPUSUGQYTLN-UHFFFAOYSA-N 361.800 5.203 0 1 FKAF Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587842831 GNTYVQUWOWGUOA-XLFHBGCDSA-N 368.315 5.064 0 1 FKAF COc1cc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2cc1OC 587958973 IXWZSEYUYOIUGG-UHFFFAOYSA-N 358.441 5.146 0 1 FKAF CN(C)c1ccc(-c2nnc(/C=C/c3ccc(-c4ccccc4)s3)o2)cc1 653790891 CCOIZQMADBQMAV-FYWRMAATSA-N 373.481 5.702 0 1 FKAF Cc1c(F)ccc2c1[C@@H](c1ccc(-c3ccc(C(C)(C)C)cc3)o1)NCC2 962298415 LVFMVWCLPNRLIL-HSZRJFAPSA-N 363.476 5.927 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1nc(-c2ccc(C)cc2)cs1 963232124 CNJXSLJKKGMTBL-JTSKRJEESA-N 362.542 5.865 0 1 FKAF CCCCCOc1c(-c2ccc(OC)c(OC)c2)oc2ccccc2c1=O 1857652745 PRELYKXXTXGIDM-UHFFFAOYSA-N 368.429 5.046 0 1 FKAF CC[C@H](C)CCCCCCCCCC=CCCC=CCCCC(=O)O 2356304383 DFIZOOFNWVUECB-QFIPXVFZSA-N 350.587 7.691 0 1 FKAF O[C@H](c1cccc(F)c1)c1nc(-c2ccc(Oc3ccccc3)cc2)c[nH]1 61905672 JDQSFQGJCIAZKP-OAQYLSRUSA-N 360.388 5.090 0 3 FKAF CCC[C@H]1[C@@H](N(C)CC2CCCCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713884 VXNUAFMWLKANKC-HOUBMWHVSA-N 374.613 5.239 0 3 FKAF CC(=O)OCC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@@H](C)CC(=O)O 3934232 QSEIUMVWJJWZJP-XOFRFHDUSA-N 364.526 5.219 0 1 FKAF O=C(CCCN1[C@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2)c1ccc(F)cc1 13827312 CEDSKJUGADVONS-LAUBAEHRSA-N 362.448 5.032 0 1 FKAF Cc1c(C)n([C@H](C)c2ccccc2)c2nc([C@@H](C)c3ccccc3)nc(N)c12 13835493 OTJNDUNRBBFAMX-FUHWJXTLSA-N 370.500 5.391 0 1 FKAF FC(F)(F)c1ccc(-c2ncc(-c3ccc(Br)cc3)[nH]2)cc1 29040536 RZFBFYLZQIRIGP-UHFFFAOYSA-N 367.168 5.525 0 1 FKAF Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(Cl)c3)nnc2c1 35900661 MJHIDASBEUSGFA-UHFFFAOYSA-N 374.875 6.014 0 1 FKAF C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 49033628 SHOBDCUSXYTMQM-RUZDIDTESA-N 370.496 5.939 0 1 FKAF O=C(CSCc1ccccc1)Nc1c(-c2ccccc2)[nH]c2ccccc12 96910147 GEALDUJOXZFFFZ-UHFFFAOYSA-N 372.493 5.707 0 1 FKAF O=C(c1cn(CC2CCOCC2)c2ccccc12)C12C[C@H]3CC1C[C@@H](C3)C2 101301674 WBROYFRREDXBEY-BFWSRPDNSA-N 363.501 5.077 0 1 FKAF Cc1ccc(Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)cc1 103229177 LMQWJIBIPLWKLJ-UHFFFAOYSA-N 352.356 6.020 0 1 FKAF Cc1csc(Nc2ncc(Br)cc2Oc2ccccc2)n1 115873575 XRFBFVJFPOWVBV-UHFFFAOYSA-N 362.252 5.145 0 1 FKAF COc1cc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)ccn1 147976871 NNGQJZZBQQNMCU-UHFFFAOYSA-N 370.412 5.083 0 1 FKAF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1F)[C@H]1C(=O)CC(C)(C)CC1=N2 169722127 OTMUTOPOXJKLLB-RTWAWAEBSA-N 368.427 5.518 0 1 FKAF CC(C)=CCC/C(C)=C/C/C=C(\C)[C@@H](C)CC(=O)c1ccc(O)cc1O 205845247 HFXVGVAUUXMKQO-NQKNVCQBSA-N 356.506 6.336 0 1 FKAF CC1=CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)[C@H]12 238780768 PJJFRVBMYOIECO-DHOZTHFOSA-N 368.517 5.011 0 1 FKAF Fc1cc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2cc1C(F)(F)F 587023124 FLGRKGIKXXIVKR-UHFFFAOYSA-N 363.339 5.511 0 1 FKAF Clc1ncc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)s1 587023874 WCHQMHPZBCNKFL-UHFFFAOYSA-N 368.874 5.617 0 1 FKAF Cc1cc(Br)c2nc(-c3cc4c(s3)CC[C@H](C)C4)[nH]c2c1 587034822 ZKRIPVKXCUTMTI-VIFPVBQESA-N 361.308 5.487 0 1 FKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)n1 587080617 RGLDOXUPDSWQFF-SSDOTTSWSA-N 360.742 5.209 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587126700 FUBUCWCVNVWDHK-UHFFFAOYSA-N 374.366 5.302 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587161399 NHWSPFLFZYDEFI-MOPGFXCFSA-N 356.400 5.204 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587161921 TUXUADKZKBGMQI-PMACEKPBSA-N 358.416 5.552 0 1 FKAF Cc1ccccc1-c1nc2cccc3c2c(c1C(C)C)-c1ccccc1C3=O 587206219 KWJWAGQUMIEJKL-UHFFFAOYSA-N 363.460 6.545 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccc(F)cc3)s1)O2 587386330 XMFMMPJNBIUTFO-NRFANRHFSA-N 367.445 5.325 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cnc(Cl)cc3c1)CC2=O 587458840 BNTIINAKWWMUHN-IBGZPJMESA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1C(F)(F)F)CC2=O 587459585 DJJRHXCARVGPJD-IBGZPJMESA-N 364.363 5.244 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(F)cc1Cl)CC2=O 587468334 UEQODAADNZGDTC-HXUWFJFHSA-N 362.828 5.104 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(CC)cc(CC)cc1CC)CC2=O 587479686 ITYXYPGVEDVCPS-JOCHJYFZSA-N 366.501 5.738 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OC(C)C)CC2=O 587482903 KLPHQDBNFCVXBQ-JOCHJYFZSA-N 354.446 5.013 0 1 FKAF C[C@@H](C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1cn(C)c2ccccc12 587515390 LYHIAUWCGKQWCV-WMZOPIPTSA-N 373.496 5.585 0 1 FKAF CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CC 587525072 PMNSLFGEDUKQBN-QFIPXVFZSA-N 350.458 5.233 0 1 FKAF CCCCOc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525285 UMADFLAXSWELOM-JOCHJYFZSA-N 350.458 5.451 0 1 FKAF O=C1C[C@H](C2CCC(c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587526246 RVJBFMOMAHGUSQ-SCPLRKQGSA-N 360.497 5.873 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cccc2Cl)N1 587722200 RYTIAWYUNGJULL-VPTHRUTESA-N 372.640 5.004 0 1 FKAF Cc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1C 587783892 IMHCBAMWOYZQAW-RVDMUPIBSA-N 354.453 5.929 0 1 FKAF Cc1cccc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 587801062 CYFLQDNSHPCJSA-WYRIXSBYSA-N 373.269 5.002 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H]2C[C@H]3CC[C@H]2C3)N1 587816495 YXNSAJIUFCFYNB-BLGBQTEISA-N 366.318 5.164 0 1 FKAF CCC[C@@H](c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(C)C 587955638 RNQWVHHDOBEEOC-CYBMUJFWSA-N 367.331 5.900 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2cncc(Cl)c2[nH]1 587956700 KRJJBYSYEAHMPZ-UHFFFAOYSA-N 365.905 5.530 0 1 FKAF CC(C)=CCC/C(C)=C\c1nc2ccc(I)cc2[nH]1 587969172 VXCDLVBHADJRNV-XFXZXTDPSA-N 366.246 5.317 0 1 FKAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc2cc3ccc(Cl)cc3nc2o1 618006299 MKXFCMDCSPFWIL-BFQNTYOBSA-N 356.853 5.189 0 1 FKAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc(-c2ccc(C)o2)cc1 963271898 XBEXNLLEXVGYHC-NRFANRHFSA-N 353.849 5.152 0 1 FKAF C[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cccnc5)=CC=C4[C@@H]3CC[C@@H]2C1 1772645449 FFRRMTGITZKOSB-NRKHNFIBSA-N 363.545 5.789 0 1 FKAF Cc1ccc2oc(-c3cccc(NC(=S)NCc4ccccc4)c3)nc2c1 1857766252 FCRJPCYTQWHVDZ-UHFFFAOYSA-N 373.481 5.290 0 1 FKAF CC(=O)O[C@@H]1C[C@]2(O)[C@H]([C@@H]1C)[C@@H]1[C@H](C(C)=CCCC(C)(C)C)CC[C@]12C 2356696481 BJMNBTCOSIQTLE-FNUUZLJUSA-N 362.554 5.124 0 1 FKAF Cc1ccc(F)cc1NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 2382237362 DKLQACRZCJGYQY-UHFFFAOYSA-N 366.440 5.261 0 1 FKAF COc1ccc([C@@](C)(O)c2nc(-c3cccc(C(C)C)c3)cs2)cc1 61897851 DMCQRSIQKIZOMF-OAQYLSRUSA-N 353.487 5.198 0 3 FKAF Cc1cccc(-c2cccc(-c3cc(=O)oc4cc5c(cc34)OCO5)c2)c1 13814370 PENANNQIXQSDIV-UHFFFAOYSA-N 356.377 5.164 0 1 FKAF aggregator C[C@H](c1cc(=O)[nH]c(SC2CCCC2)n1)c1cccc2ccccc12 13863473 CEMLODIQTPVPCA-AWEZNQCLSA-N 350.487 5.110 0 1 FKAF C[C@H](C1N=CC=N1)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 26991268 RMALHIYLKVZMFX-SOBIGVLXSA-N 366.549 5.252 0 1 FKAF Cc1ccc2cc(-c3cc(N4CCN(C)CC4)c4ccccc4n3)ccc2c1 27315633 YZTIQPRQSFXJAB-UHFFFAOYSA-N 367.496 5.115 0 1 FKAF COc1ccc(C[C@H](C)NC[C@@H](c2ccccc2)C2CCCCC2)cc1 27767526 FUMNVHCGJLULAQ-CYFREDJKSA-N 351.534 5.580 0 1 FKAF CCOP(=O)(/C=C/c1ccc(-c2nc3ccccc3s2)cc1)OCC 29312173 AKPOTQWTUNZWDL-BUHFOSPRSA-N 373.414 6.200 0 1 FKAF Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 38224497 ADLYBSSJKFIGDM-UHFFFAOYSA-N 360.453 5.567 0 1 FKAF COc1ccc(CCCc2ccc(Nc3ccccc3C(=O)O)cc2)cc1 40936465 WEKNNRMFCWDFSQ-UHFFFAOYSA-N 361.441 5.312 0 1 FKAF CCCCCCN(C)C(=O)CCCC/C=C\CCCCCCC(=O)O 43019108 XBXKWJAVFVEYCQ-VURMDHGXSA-N 353.547 5.567 0 1 FKAF CC(C)Sc1ccc(C[C@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 45322608 PEMJBGWIXSBYQD-YWZLYKJASA-N 363.954 5.095 0 1 FKAF Cc1ccccc1-c1cc(-c2ccc(Cl)o2)cc(-c2ccsc2)n1 45339438 UCUTTYYBBFVEGF-UHFFFAOYSA-N 351.858 6.699 0 1 FKAF O=C(Nc1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1)c1cccs1 64437101 YAWDBNXPJOVFHN-UHFFFAOYSA-N 353.834 5.197 0 1 FKAF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1ccc2ccccc2c1 82155574 LRMYEEATTUUNJT-XMMPIXPASA-N 366.420 5.232 0 1 FKAF Cc1ccccc1CN1C(=O)C[C@@H](c2ccccc2)Sc2ccccc21 95592614 HNRWJWGVOYJLGQ-QFIPXVFZSA-N 359.494 5.765 0 1 FKAF Cc1ccccc1[C@@]1(C)CCC[C@]2(C)C3=C(CC[C@H]21)C[C@H](C(C)C)CC3 103272610 FVXDBVLHFWCCQV-JFWNMISASA-N 350.590 7.606 0 1 FKAF CC1(C)CC2=Nc3ccc4ccccc4c3[C@H](c3cccnc3)C2=C(O)C1 103521271 LXDOCEKZRBXLAS-NRFANRHFSA-N 354.453 6.085 0 1 FKAF COC(=O)/C=C(\C)CC/C=C(C)/C=C/c1c(C)cc(OC)c(Cl)c1C 169322776 GQBFXLCEYVHDDR-OWZURYKZSA-N 362.897 5.824 0 1 FKAF COc1cccc([C@@H]2CC(=O)[C@H]3Sc4cc(Cl)ccc4N=C3C2)c1 169715424 GTYBBGOQUBWUGY-BUXKBTBVSA-N 357.862 5.042 0 1 FKAF COCCCCN[C@H](CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1 219104219 WJWXEIAXZOSICF-LJQANCHMSA-N 372.380 5.846 0 1 FKAF COc1cc(OC)c2[nH]c(-c3cccc(-c4ccc(C(C)=O)cc4)c3)nc2c1 586878976 CAGSBGIIHZUUNQ-UHFFFAOYSA-N 372.424 5.117 0 1 FKAF C=Cc1ccc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)cc1 586882151 VAFKFCMTOHJBRG-UHFFFAOYSA-N 367.168 5.654 0 1 FKAF Cc1cc(F)c2nc(-c3ccc(CSc4nc(C)cs4)cc3)[nH]c2c1 587020331 NPCWGODHJNWUJO-UHFFFAOYSA-N 369.490 5.735 0 1 FKAF Clc1cc(Br)cc2nc([C@@H]3Cc4ccccc4S3)[nH]c12 587042449 JWFUUZSFFPDNRI-ZDUSSCGKSA-N 365.683 5.368 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587061350 DYDXSZFMMZAIJE-LLVKDONJSA-N 357.187 5.678 0 1 FKAF Cc1ccc2c3c(cc(-c4cc5ccccc5[nH]4)nc13)-c1ccccc1C2=O 587098424 XWQWZLHPTNAVLU-UHFFFAOYSA-N 360.416 5.903 0 1 FKAF FC(F)(F)Sc1ccc(/C=C/c2nc3ccnc(Cl)c3[nH]2)cc1 587126209 WCAZQBNHTOHLCM-ZZXKWVIFSA-N 355.772 5.394 0 1 FKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2cc3c4c(cccc4n2)CC3)c1 587210028 BFKHTAICBVOASF-UHFFFAOYSA-N 367.292 6.038 0 1 FKAF CCOc1ccc(-c2ccccc2)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587401383 WJZWNJWQCDOAQT-HSZRJFAPSA-N 373.452 5.349 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3ccc(Cl)cc31)CC2=O 587463686 WTFFROWPNFOMPZ-OAQYLSRUSA-N 356.849 5.195 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccccc3cc1OC)CC2=O 587482060 REPYKMRUEJKHSG-JOCHJYFZSA-N 362.425 5.213 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC1CCCCC1)(C(C)(C)C)CC2=O 587491311 WFCNUNHGYKBXPP-HSZRJFAPSA-N 358.522 6.065 0 1 FKAF COc1ccc(-c2[nH]c3cccc(F)c3c2-c2ccc(Cl)cc2)cc1 587633530 FXFGPNQIZOSNRL-UHFFFAOYSA-N 351.808 6.303 0 1 FKAF CCCCc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587922885 IYQCNFNPCIXAEU-UHFFFAOYSA-N 350.462 6.440 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(OC(C)C)cc3[nH]2)cc1 587938357 VKFGEEQYYXYUCN-QHCPKHFHSA-N 372.468 5.539 0 1 FKAF CCCCC[C@]1(c2ccc(O)cc2)c2ccccc2C[C@@H](C)N1CCC 963230778 AIWQCJDYMAFNKF-DVECYGJZSA-N 351.534 5.873 0 1 FKAF O=C(O)C1CN(Cc2cc3cc(-c4ccc5ccccc5c4)ccc3s2)C1 1772585265 PQTJBCHIJUZFPZ-UHFFFAOYSA-N 373.477 5.238 0 1 FKAF c1cc2cc(-c3ccc(C4(N5CCCC5)CCCCC4)s3)ccc2[nH]1 1857634827 PCOGQJUHJFYXHH-UHFFFAOYSA-N 350.531 6.152 0 1 FKAF CC(=O)CCCCCCC=CCCCCCCCc1cc(O)cc(O)c1 2356796451 NGBXHGNFDXFKHC-UHFFFAOYSA-N 360.538 6.467 0 1 FKAF C[C@@]12CCC=C[C@H]1[C@H](c1ccc3ccccc3c1)N(Cc1ccccc1)C2=O 13661962 DLLSCTDMHJGMPP-KYPHJKQUSA-N 367.492 5.896 0 3 FKAF CNCCCCCC[C@@H]1C(c2ccc(O)cc2)=C(C)c2cc(O)ccc21 26636982 OZAVHSUUQARRLQ-NRFANRHFSA-N 351.490 5.296 0 1 FKAF CCCCN1CC2CN(CCCC)CC(C1)C2(CCCC)CCCC 26974098 CTWVCLWNZABWDA-UHFFFAOYSA-N 350.635 5.817 0 1 FKAF O=C(O)c1ccc2c(c1)nc(-c1ccc3ccccc3n1)n2C1CCCCC1 28100770 AYKOADBUMADZLD-UHFFFAOYSA-N 371.440 5.455 0 1 FKAF CCCCC[C@H](c1cccc(O)c1)[C@H](CCCCC)c1cccc(O)c1 28219236 DGAJTFGSSGZARL-DNQXCXABSA-N 354.534 7.126 0 1 FKAF Cc1ccc([C@H](CCn2ccnc2)Oc2cc(Cl)cc(Cl)c2)cc1 40892999 NPASPCHISNRFLG-IBGZPJMESA-N 361.272 5.709 0 1 FKAF CC(C)(C)c1ccc(-c2nc3cc(Cl)ccc3n2C2CCCC2)cc1 40915364 HIKPCZJUDUWNBN-UHFFFAOYSA-N 352.909 6.769 0 1 FKAF C[C@](Cc1ccccc1)(C1=Cc2ccccc2CC1)[C@@H](O)c1ccccc1 71341775 MFPYOOVWBRXSDG-UIOOFZCWSA-N 354.493 5.999 0 1 FKAF CC(C)(N)c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(Cl)c1 72118502 BXPVFWCNJRSXDX-UHFFFAOYSA-N 368.695 5.239 0 1 FKAF CC(C)(C)C(=O)Nc1ccc2[nH]c3cnc(NCc4ccccc4)cc3c2c1 95555566 CJYQRSYRCFXUPC-UHFFFAOYSA-N 372.472 5.313 0 1 FKAF O=C(c1cc2cc(F)ccc2[nH]1)N1c2ccccc2Sc2ccccc21 95586197 RAEPYAXCPQEHIT-UHFFFAOYSA-N 360.413 5.750 0 1 FKAF CC(C)c1c(O[C@H]2CCCC[C@H]2C)cc(Cc2ccc(F)cc2)[nH]c1=O 95591877 MUDYHJQHRRARHV-BEFAXECRSA-N 357.469 5.186 0 1 FKAF O=C(/C=C/C=C/CCCC/C=C\c1ccc2c(c1)OCO2)N1CCCCC1 95914429 BADLEYLQAILHPV-KJBFNNNQSA-N 367.489 5.114 0 1 FKAF biogenic,in-vitro Cc1c(CCCC(=O)O)c2ccccc2n1Cc1ccc(O)c(C(C)C)c1 103239845 PYFRUYFQSHPGDE-UHFFFAOYSA-N 365.473 5.234 0 1 FKAF Cc1cc([C@@H](O)CN2CCCCCC2)cc2ccc(-c3ccccc3)nc12 169338308 HJNWYQGJRFIKDD-QHCPKHFHSA-N 360.501 5.120 0 1 FKAF Nc1cnc(-c2ccc(-c3ccccc3SC(F)(F)F)cc2F)cn1 224807835 RCCKEGAPIMHWKJ-UHFFFAOYSA-N 365.355 5.144 0 1 FKAF CC(C)Oc1cc2nc(-c3ccoc3C3CC3)[nH]c2cc1Br 586900907 GKZQFKLMVSGXRZ-UHFFFAOYSA-N 361.239 5.250 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc5cc[nH]c45)nc13)-c1ccccc1C2=O 587097026 NRQFVQCEAPIUCO-UHFFFAOYSA-N 360.416 5.903 0 1 FKAF O=C(O)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587124938 NQDOWPDSOJYGKM-BAQGIRSFSA-N 364.348 5.043 0 1 FKAF CSC[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370488 XIRGZINEVDKKKX-NQIIRXRSSA-N 374.477 5.038 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)cc(C(C)(C)C)cc1C)O2 587406838 WFQOSRRKAHPYLW-HSZRJFAPSA-N 351.490 5.372 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](C[C@H]1CCCc3ccccc31)CC2=O 587476769 AWNOWHOBJQHMJF-SJORKVTESA-N 350.458 5.189 0 1 FKAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(CC(C)C)CC2=O 587489781 PSUVTXSDBWMMIY-QHCPKHFHSA-N 352.474 5.338 0 1 FKAF C[C@]1(c2c(Cl)ccnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587502098 SXEYOWVPBBNSHD-LJQANCHMSA-N 362.256 5.148 0 1 FKAF Nc1cccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587509804 JJXUBQVJCOWJRF-RUZDIDTESA-N 369.464 5.057 0 1 FKAF CC(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600214 ACDLCXOSXSRBLU-NFBKMPQASA-N 360.409 5.219 0 1 FKAF Cc1oc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615794 HNOBDYGUCGFFNO-NFBKMPQASA-N 372.376 5.150 0 1 FKAF CCCCCC[C@H](C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587817676 DNGZYKJVWFKDJD-VEVIJQCQSA-N 356.323 5.770 0 1 FKAF CC(C)=CCC/C(C)=C/c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587967909 NPGHRPLLULWTGR-YRNVUSSQSA-N 359.342 5.762 0 1 FKAF CCCC[C@@H]1CCCC[C@@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962693408 BORVGPJWWMBEEX-HMFYCAOWSA-N 361.570 5.765 0 1 FKAF Oc1ccc(-c2cnc3cnc(-c4ccc(Cl)cc4Cl)cn23)cc1 1857579295 HPIIMQOILIFQKD-UHFFFAOYSA-N 356.212 5.076 0 1 FKAF O=C(CCCN1CC[C@]2(c3ccc(Cl)cc3)C[C@@H]2C1)c1ccc(F)cc1 1857584508 NIYUXHADMUQBAS-XMSQKQJNSA-N 371.883 5.106 0 1 FKAF Cc1ccc2c(c1)c(CN1CCCCC1)cn2CCCCN1CCCCC1 1857605596 NPAFSQURVIFYKN-UHFFFAOYSA-N 367.581 5.202 0 1 FKAF O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)cc(-c2ccccc2)n1 1857642297 GOYRHGQCANQEJI-UHFFFAOYSA-N 367.404 5.906 0 1 FKAF O=C(Nc1cccc(Cl)c1)c1nc2cc(C(F)(F)F)ccc2s1 1857746908 RVDASPAMEUGJEX-UHFFFAOYSA-N 356.756 5.221 0 1 FKAF CC(C)=CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356701196 XSHOQEAJWUFKPE-AYQNXORPSA-N 370.621 6.919 0 1 FKAF C[C@@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2cccc(Cl)c2)=NO1 12482055 INWNLRFQHBLPIT-SFHVURJKSA-N 374.227 5.083 0 3 FKAF N[C@H](c1csc(NC(=O)Nc2ccccc2Cl)n1)C1CCCCC1 61906971 WIAMGDCJQDRGIF-HNNXBMFYSA-N 364.902 5.021 0 3 FKAF Cc1ccc(-c2cc([C@@H](O)[C@@H]3CCCCN3)c3cc(C)cc(C)c3n2)cc1 27524266 VOPRLSQHNFTEJF-XUZZJYLKSA-N 360.501 5.003 0 1 FKAF O=C1/C(=C/c2ccccc2)c2ccccc2N1c1c(Cl)cccc1Cl 40423383 TWXCDOUJDOEJPV-DTQAZKPQSA-N 366.247 6.212 0 1 FKAF Cc1cc(-c2ncccc2C)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1 40568318 OTZGGIPJOIZPDC-UHFFFAOYSA-N 370.374 5.637 0 1 FKAF CN(CCCCN1c2ccccc2Sc2ccccc21)Cc1ccccc1 53021947 QUBIIFLNSZKWIJ-UHFFFAOYSA-N 374.553 6.202 0 1 FKAF Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C(=O)C2(C)C 66251722 FAZOJHMTURPXLD-UHFFFAOYSA-N 366.892 5.848 0 1 FKAF Cn1cccc1/C=C/c1cc(-c2ccccc2)c(/C=C/c2cccn2C)nn1 95575926 RREMHAOEYOLRNJ-SQIWNDBBSA-N 366.468 5.161 0 1 FKAF CNC(=O)c1[nH]c2cc(C)ccc2c1Sc1cc(Cl)cc(Cl)c1 95582629 CHXXOFSRDBVTAA-UHFFFAOYSA-N 365.285 5.294 0 1 FKAF COc1ccc(-c2ccnc(NCc3ccc(Cl)c(Cl)c3)n2)cc1 96271443 CKKUHARWBUXFAW-UHFFFAOYSA-N 360.244 5.071 0 1 FKAF CC(C)=CCC/C(C)=C/COC(=O)/C=C/c1ccc(Cl)cc1Cl 103194988 RKSUOJNTIFRXCI-WSZGUFMCSA-N 353.289 6.243 0 1 FKAF CCCCCc1cc(OC)c(C2=C[C@H]3CC[C@]2(C(=O)O)C3(C)C)c(OC)c1 117466079 WCZNJFCRMLMUIK-MWTRTKDXSA-N 372.505 5.341 0 1 FKAF Cc1cc(-c2ccccc2)nc2c(C)cc([C@H](O)CN3CCCCCC3)cc12 169338313 WLLKHSQMPJEGEC-XMMPIXPASA-N 374.528 5.428 0 1 FKAF Cc1cc(F)c2nc(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)[nH]c2c1 587030515 GEPFTLMLAPCBMK-CYBMUJFWSA-N 365.477 5.969 0 1 FKAF Clc1cccc(/C=C/c2nc3ccc(Br)nc3[nH]2)c1Cl 587056185 ZPPBAKQGBBCSNO-QPJJXVBHSA-N 369.049 5.198 0 1 FKAF Cc1nccc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc12 587072972 AMQUXZLZJNPSDY-XDJHFCHBSA-N 373.887 6.093 0 1 FKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(F)cnc3[nH]2)c(Cl)c1 587158646 IPPNXLSJTCKQHI-QGZVFWFLSA-N 371.774 5.058 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587170605 RJCAFYUIHPZXDE-JTQLQIEISA-N 354.372 5.617 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1oc3ccc(F)cc3c1C)CC2=O 587471137 IZLLLCGOUBEVBD-LJQANCHMSA-N 354.377 5.245 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](C[C@H]1CCCc3ccccc31)CC2=O 587476764 AWNOWHOBJQHMJF-IAGOWNOFSA-N 350.458 5.189 0 1 FKAF Cc1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513413 SDDTXEHXBWZDCT-QHCPKHFHSA-N 357.453 5.371 0 1 FKAF CC(C)c1ccc2c(c1)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587520909 BDQZHAWWIGGKDI-VWLOTQADSA-N 360.497 5.886 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(F)c3)c(C(=O)C(F)(F)F)c2c1 587642147 PJFRFHFEFFYKJW-LLVKDONJSA-N 363.354 6.233 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2CCC2)N1 587819765 NGUXMSOVDAADFF-ZUOKHONESA-N 374.297 5.166 0 1 FKAF CC(C)[C@H]1CCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587819835 WTYNEHBBESOIPC-IAISJRAMSA-N 354.307 5.164 0 1 FKAF Cc1ccc([C@H](C)C[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587826210 DJHSOYOOAZIRKJ-VGTOOOLASA-N 366.274 5.259 0 1 FKAF Cc1cc(C)cc([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1 962713244 QPEYZOSEPMNCNH-GCJKJVERSA-N 355.522 5.070 0 1 FKAF Cc1sc2c(c1C)CCN[C@H]2c1cc(C(F)(F)F)nc2ccccc12 963011310 PCWACDPLWSEUBA-KRWDZBQOSA-N 362.420 5.167 0 1 FKAF CCCc1ccc(Oc2cc(CCC)cc(OC)c2OCC)c(OC)c1 1857546767 WIVAFFVLCJFLSJ-UHFFFAOYSA-N 358.478 5.800 0 1 FKAF COc1ccc(Nc2cc3oc(-c4ccccc4)nc3c3ccccc23)cc1 1857748415 RLBGAKSMDGOENG-UHFFFAOYSA-N 366.420 6.400 0 1 FKAF CC(=O)OC[C@@H]1CCO[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC1 2356445253 ZQSXEOHDZPOEDT-DMPNSMEDSA-N 350.543 5.368 0 1 FKAF CN1CCC(Oc2ccccc2Sc2ccccc2C(F)(F)F)CC1 702111 DPBGOHFPUVYOPM-UHFFFAOYSA-N 367.436 5.330 0 3 FKAF Cc1cccc(NC(=O)n2ccc3ccc(-c4ccc5cc[nH]c5c4)cc32)c1 200475692 CKDSCBLOCRXLKA-UHFFFAOYSA-N 365.436 6.178 0 3 FKAF O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cccc2ccc(O)cc12 13589069 YHFOTYKYNDZBHB-UHFFFAOYSA-N 360.240 5.424 0 1 FKAF CCCCCc1cc2c(c3c1CCCO3)[C@@H]1C[C@@H](O)CC[C@H]1C(C)(C)O2 13606339 QXPMAJJUKZJCEC-QXAKKESOSA-N 358.522 5.160 0 1 FKAF Cc1ccccc1Nc1nc(N(C)c2ccccc2C)nc2ccccc12 13742286 YPZDZCHEAPDMLJ-UHFFFAOYSA-N 354.457 5.758 0 1 FKAF COc1ccc([C@@H]2C[C@](O)(c3ccccc3)Oc3cc(C)cc(C)c32)cc1 13830657 XDWDFCAXTGHAQC-XUZZJYLKSA-N 360.453 5.072 0 1 FKAF CCCCC[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1CCCC(=O)O 25991001 VOEQWJRVRYMVGK-UUSJCSPQSA-N 360.582 6.536 0 1 FKAF CC1=CC[C@H]2[C@H](C1)c1c(O)cc(CCCCC(F)(F)F)cc1OC2(C)C 26393714 JIFAGTGHNWWHCX-HOTGVXAUSA-N 368.439 6.278 0 1 FKAF C[C@H](CNCCOc1ccc(OCc2ccccc2)cc1)c1ccccc1 26504089 MDMYMJUIQIOGGF-HXUWFJFHSA-N 361.485 5.038 0 1 FKAF in-vitro Cc1cnc([C@@H](CO)Cc2cccc3ccccc23)cc1Oc1ccccc1 27564176 YGCWGBSSDDIUHT-OAQYLSRUSA-N 369.464 5.654 0 1 FKAF O=C(O)[C@@H](Oc1ccc(F)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242688 FRZABUZRQDVLND-IBGZPJMESA-N 372.779 5.476 0 1 FKAF Cn1c(-c2cccc(Cl)c2)nnc1C1(c2ccc(Cl)cc2)CCC1 40424391 NQHSJELQQVWZJD-UHFFFAOYSA-N 358.272 5.259 0 1 FKAF CC(C)=CCc1c(O)cc2c(c1/C=C/c1ccccc1)C[C@H](O)C(C)(C)O2 40892300 KKSDBZMBXBGTRS-BWSGXRDBSA-N 364.485 5.146 0 1 FKAF C[C@H](C(=O)NC(C)(C)C)c1ccccc1Nc1c(Cl)cccc1Cl 43010950 YUOKWIGKXGRGFG-LBPRGKRZSA-N 365.304 5.755 0 1 FKAF CC(=O)OC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 82043340 JHODWVUVWQQBHM-CYJBNBHLSA-N 374.565 5.126 0 1 FKAF biogenic C[C@@H](CCc1ccccc1)Nc1cc(Oc2cccc3ccccc23)ncn1 82067687 CWUFZYVBUJMLCM-SFHVURJKSA-N 369.468 5.855 0 1 FKAF Cc1ccccc1-c1nc(NCC2CC2)ncc1-c1nc2ccccc2s1 82177312 AZZJJFSSEVJJHC-UHFFFAOYSA-N 372.497 5.551 0 1 FKAF Cc1cccc(-c2nc(N3CCCC3)ncc2-c2nc3ccccc3s2)c1 82219894 RSINFSAJVKXIDN-UHFFFAOYSA-N 372.497 5.329 0 1 FKAF Cc1ccc(Cc2cnc(-c3ccccc3Cl)c(C)c2)c(C(=O)O)c1 96173355 BHIVHZSFQZXLBF-UHFFFAOYSA-N 351.833 5.308 0 1 FKAF CCCCCNc1c(Cc2ccccc2C)c(=O)oc2cc(OC)ccc12 101496520 PVILCXSONYYLLU-UHFFFAOYSA-N 365.473 5.303 0 1 FKAF CC[C@H]1O[C@@H]2c3ccccc3CO[C@@H]2[C@H]1OCc1cccc2ccccc12 103286088 XFWTWXQMKXNKSV-LWSSLDFYSA-N 360.453 5.174 0 1 FKAF Cc1cncc(C2=CC[C@H]3[C@@H]4C[C@@H](O)[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)c1 141006737 COMPHWCPGLBRDR-YQMHAYTLSA-N 365.561 5.787 0 1 FKAF CCc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)o2)cc1 299837384 OKEYCNPWEDQFLH-UHFFFAOYSA-N 369.424 5.631 0 1 FKAF Cc1c(-c2ccc(Cl)cc2)noc1-c1ccc2c(c1)N(C(C)C)C2=O 299856978 LPVYQDDNGMUWTG-UHFFFAOYSA-N 352.821 5.339 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3O)c3c(n2)-c2ccccc2OC3)c1 473120700 PDRQNRMQAVJPKA-UHFFFAOYSA-N 367.404 5.386 0 1 FKAF Oc1cccc(-c2cc(-c3cccs3)nc3c2COc2ccccc2-3)c1 473122472 SDSHZUSMLKLHBB-UHFFFAOYSA-N 357.434 5.742 0 1 FKAF Cc1c(Br)ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023302 IHSDCBKDBKJTRJ-UHFFFAOYSA-N 370.275 5.424 0 1 FKAF CCc1cc(OCc2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1Cl 587052766 LRELIZMTKTYIEJ-UHFFFAOYSA-N 356.640 5.060 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc5c(c4)CCO5)nc13)-c1ccccc1C2=O 587101300 LSTWBPGCACWTOX-UHFFFAOYSA-N 363.416 5.357 0 1 FKAF Cc1c(-c2cccc(Cl)c2F)nc2cccc3c2c1-c1ccccc1C3=O 587102670 CXJZURMDNBTPND-UHFFFAOYSA-N 373.814 6.214 0 1 FKAF CC(C)Oc1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587113242 UNKWZIZPEGVXSE-UHFFFAOYSA-N 371.362 5.584 0 1 FKAF CC(C)=CC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354640 OIOMGHYUGNNYDY-JTHBVZDNSA-N 366.432 5.395 0 1 FKAF COc1cccc(-c2cc([C@@H](N=O)C(C)=O)nc3c2oc2ccccc23)c1 587358984 CGWNKUUCUUFNBZ-IBGZPJMESA-N 360.369 5.053 0 1 FKAF CC[C@H]1Cc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1=O 587365893 JNDVCOYWCIKEIY-ZDUSSCGKSA-N 357.409 5.422 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(C=COc3cc(C)c(Cl)cc31)CC2=O 587459328 CLTFXHBKLABKGY-OAQYLSRUSA-N 370.832 5.073 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(C(C)(C)C)CC2=O 587463248 UJPBOGSTDGTMJQ-JOCHJYFZSA-N 372.892 5.905 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CCC)(c1cc(C)sc1C)CC2=O 587494347 WIOFARCUOUEQIK-NRFANRHFSA-N 358.503 5.684 0 1 FKAF CC(C)COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521697 IXVJLZZDBABKPY-DEOSSOPVSA-N 364.485 5.481 0 1 FKAF C[C@]1(CCc2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587532688 RZIAVVKVHCOENK-FQEVSTJZSA-N 360.906 5.637 0 1 FKAF CC[C@]1(c2ccc(C)cc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603740 RGMPMVKMPRBSOU-ZJSXRUAMSA-N 374.436 5.276 0 1 FKAF CC[C@@H](C)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923227 WPBPCCDOCQCDFJ-CYBMUJFWSA-N 350.462 6.611 0 1 FKAF CCC(C(=O)Nc1cc(Cl)ccc1Cl)(C(F)(F)F)C(F)(F)F 3189077 JNPYVEPYVXWWPL-UHFFFAOYSA-N 368.104 5.453 0 1 FKAF biogenic CCN(CC)CCC[C@H](C)Nc1ccnc2ccc(OC(F)(F)F)cc12 28136812 YFJSCIPHWXUKHB-AWEZNQCLSA-N 369.431 5.056 0 1 FKAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)(C)C1 33825628 RTKUCVAYNSXMMS-SJORKVTESA-N 370.577 7.457 0 1 FKAF O=C(O)[C@@H](Cc1cccc(Oc2ccccc2)c1)Oc1ccc(Cl)cc1 40896266 DKBQUFWMBYWUDK-HXUWFJFHSA-N 368.816 5.207 0 1 FKAF Cc1ccccc1SC[C@H](O)COc1ccc(-c2ccccc2)cc1 84690150 WUQYGCVNHMUFAV-HXUWFJFHSA-N 350.483 5.194 0 1 FKAF CCCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1ccccc1C 96938330 XLNTYINXACZILF-UHFFFAOYSA-N 374.484 5.509 0 1 FKAF Cc1ccc(Nc2ccc3c(c2)[C@@]2(C)CCN(CC4CC4)[C@H](C3)[C@@H]2C)cc1 100935440 DQKXDKCNNDHSMJ-MUEKUWCCSA-N 360.545 5.673 0 1 FKAF 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 118930229 AZFLHSKQKSZOET-LFYYPNPWSA-N 374.565 5.283 0 1 FKAF C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H]1CC[C@](C)(Sc1ccccc1)[C@H]2O 169334087 PHSSBJXUSNSDRM-JUHPOPGZSA-N 357.519 5.084 0 1 FKAF Cc1cc2nc(CC3CCCC3)n(Cc3ccc(Cl)cc3)c2cc1C 200516781 CVGFDACBJVOANI-UHFFFAOYSA-N 352.909 6.088 0 1 FKAF CC(C)[C@@]12CC[C@@]3(CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]3C1)[C@H](CN)C2 254074507 CFSIKOAGZWBLPX-KIEPGZPZSA-N 361.570 5.085 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@](O)(c3cccc(O)c3)CCC[C@]12C 299866517 WBFILOJRJFCSEP-YHBXUWTPSA-N 358.566 6.259 0 1 FKAF CCc1ccc(-c2nc3ccc(OC(C)C)cc3[nH]2)cc1Br 586977989 UZXCBILWHWIDBS-UHFFFAOYSA-N 359.267 5.342 0 1 FKAF Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(F)c1 586988560 LVYCVHYAKSCXAR-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF Clc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c(Cl)n1 587047940 CDGODNXREIRITE-BQBZGAKWSA-N 373.070 5.843 0 1 FKAF Cc1ccc(C)c2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 587109636 IFMLCWIBYMJGDZ-UHFFFAOYSA-N 372.312 5.808 0 1 FKAF CC[C@@H](C)n1nc(C)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587507640 RPOKNRPKCNPCPJ-KZULUSFZSA-N 372.896 5.401 0 1 FKAF Cc1cc(Cl)cc2c(-c3ncc[nH]3)c(-c3ccc(Cl)cc3F)[nH]c12 587623944 ASUTZJBTNQPWKT-UHFFFAOYSA-N 360.219 5.979 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(F)ccc3F)c(C(F)(F)F)c2c1 587643036 YKQLXPHXTHXPFN-JTQLQIEISA-N 353.334 6.645 0 1 FKAF COc1ccc2cc(-c3nc(-c4cc(F)ccc4F)cs3)ccc2c1 587921900 AEZMISAGUOJQIM-UHFFFAOYSA-N 353.393 5.917 0 1 FKAF Oc1nc2cc3nc(/C=C\c4ccccc4Oc4ccccc4)[nH]c3cc2[nH]1 587950123 PNWXMLZQDQFYBR-KHPPLWFESA-N 368.396 5.108 0 1 FKAF CC[C@]1(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587961202 QKYLUDULPAQTFL-LJQANCHMSA-N 374.271 5.033 0 1 FKAF Cc1cn(-c2ccc3c(c2)CCc2sc(Cc4ccccc4)nc2N3)cn1 653708782 ZHNDWSFRNPTACV-UHFFFAOYSA-N 372.497 5.070 0 1 FKAF COc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1 653816473 RKTXNXQJLCTFKS-UHFFFAOYSA-N 357.925 5.236 0 1 FKAF N=C(N)c1ccc2[nH]c(-c3cc(-c4ccc(Cl)cc4)ccc3O)cc2c1 653830211 IJOSQTMORKXXMP-UHFFFAOYSA-N 361.832 5.145 0 1 FKAF CC(C)C(C(C)C)[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963916 YOVCCSGYZNJJPU-IBGZPJMESA-N 369.471 5.326 0 1 FKAF C[C@]1(c2cccc(OC(F)(F)F)c2)c2c(F)cccc2C[C@H]2CCCN21 963109594 MGJIINCAEOKDKQ-BEFAXECRSA-N 365.370 5.008 0 1 FKAF FC(F)(F)Oc1ccc(Nc2cc(-c3cccc(Cl)c3)ncn2)cc1 1857593395 KEBOHVZGLLRIBV-UHFFFAOYSA-N 365.742 5.439 0 1 FKAF FC(F)(F)Oc1cccc(-c2ccc3ncc(-c4cccs4)n3n2)c1 1857615389 APJNZOTVAZQVQP-UHFFFAOYSA-N 361.348 5.023 0 1 FKAF Nc1sc2ccc(Cl)cc2c1Nc1ccc(F)c(C(F)(F)F)c1 1857648180 PDTLCMGRFOOBKI-UHFFFAOYSA-N 360.763 6.038 0 1 FKAF CC1(C)[C@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H](C(=O)O)CC[C@]43C)[C@]2(C)CC[C@H]1O 2356395461 PTSOMORPIOAPGG-LEYVYYRCSA-N 362.554 5.117 0 1 FKAF CCC(=O)OCc1c2c(c(OC(=O)CC)c3occ(C)c13)C=CC[C@@H]2C 13300539 VVFYLTCWZSJWQD-LBPRGKRZSA-N 356.418 5.030 0 1 FKAF biogenic CC(C)=CCc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2ccoc12 13303772 MXJNLOCPZJNQMY-LJQANCHMSA-N 364.397 5.059 0 1 FKAF biogenic COc1c(C(C)=O)c(O)c(OCc2ccc(C(C)(C)C)cc2)c2occc12 13682370 ODTOFSSMIUYEDR-UHFFFAOYSA-N 368.429 5.226 0 1 FKAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCCCCc1ccccc1 13726156 IJEJDENYUZSCNV-QTLGCAHFSA-N 363.545 5.329 0 1 FKAF Cc1cc(C)c(NC(=O)[C@@H]2c3ccccc3COc3ccc(C)cc32)c(C)c1 13735147 ZPPXXXPDPZCDKV-HSZRJFAPSA-N 371.480 5.583 0 1 FKAF COC(=O)c1ccc(/C=C/[C@H]2CCC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)cc1 29391752 BUHIIVDJIFQBHL-AKADLKJJSA-N 356.506 5.090 0 1 FKAF CCCN(CCC)CCCOc1ccc(-c2nc3ccccc3s2)cc1 29475114 PWKWSTWIWDYVSF-UHFFFAOYSA-N 368.546 5.854 0 1 FKAF O=C(c1ccc(OCc2ccc(OCc3ccccc3)cc2)cc1)C1CC1 66058927 LREAOYDVENOPRP-UHFFFAOYSA-N 358.437 5.437 0 1 FKAF Cc1ccccc1[C@H]1N[C@@H](c2ccccc2C)CC(=O)[C@@H]1c1ccccc1 72171787 QKGYKUTZNDUDHD-PZUNEJSGSA-N 355.481 5.432 0 1 FKAF FC(F)(F)c1cccnc1Oc1ccc(Nc2ccc(Cl)cn2)cc1 139250889 OMTROKRCCUUCNC-UHFFFAOYSA-N 365.742 5.685 0 1 FKAF COc1cc2c(cc1OC)C(c1sc3cccc(C)c3c1Cl)=NCC2 144698615 MLQPUXLKXYHBSU-UHFFFAOYSA-N 371.889 5.274 0 1 FKAF COc1cc(/C=C\c2nc3ccc(C)c(C)c3[nH]2)ccc1Br 586977478 PLMMSEGLOCSJDN-TWGQIWQCSA-N 357.251 5.121 0 1 FKAF CC(C)(C)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587049522 MIGLLIIYCAWUPQ-GHMZBOCLSA-N 360.288 5.833 0 1 FKAF CC(C)(C)c1cccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 587060367 CXIQUZLCTULTCF-UHFFFAOYSA-N 351.837 5.836 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587069013 HGMWFCXYPAOBLD-QMMMGPOBSA-N 368.651 5.295 0 1 FKAF CSc1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587077085 PKYKYMBXKVQIBA-GOSISDBHSA-N 357.910 5.275 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(C)(C)[C@H](O)C3)c1 587366961 SHKOBHMGSAVYRF-HXUWFJFHSA-N 373.452 5.142 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc(-c3ccccc3)cc1)O2 587406140 PQUUEZRVHHCSNM-FQEVSTJZSA-N 357.453 5.211 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(C)c1Cl)CC2=O 587461237 RHYXNLBMSCCADM-KRWDZBQOSA-N 365.256 5.666 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1C[C@H]1c1ccccc1C)CC2=O 587487639 FYZOXDQCUZNFMU-YDHSSHFGSA-N 350.458 5.181 0 1 FKAF O=C1C[C@@]2(CCSc3c(F)cccc32)Oc2c1ccc1c2CCCC1 587501873 AKKZHXASPFSXNW-OAQYLSRUSA-N 354.446 5.061 0 1 FKAF O=C1C[C@@H](CCCCOc2ccccc2)Oc2c1ccc1c2CCCC1 587521039 HUPHGGKIOJFCLV-LJQANCHMSA-N 350.458 5.149 0 1 FKAF O=C1C[C@]2(CCCC[C@@H](c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587526189 RRMXNTNRJAPQKU-CJFMBICVSA-N 360.497 6.017 0 1 FKAF CCCc1c(-c2ccc(Cl)cc2Cl)[nH]c2c(C)cc(Cl)cc12 587623428 GKUBDEAIRACXCR-UHFFFAOYSA-N 352.692 7.056 0 1 FKAF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587699855 XWEICHYNSFFOES-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)F)cc2)N1 587715730 IDXKUFXMRRDRGG-ABKXIKBNSA-N 370.212 5.149 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C3CCC3)c2)N1 587821604 WGQBPSYHVQMUST-MPBGBICISA-N 374.297 5.479 0 1 FKAF Fc1ccccc1-c1ccc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)s1 963094278 CGQLQSPQBYHSBU-OYHNWAKOSA-N 367.464 5.803 0 1 FKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(C(=O)c2ccccc2)cc1O 2382249886 CNAXYMJHMHYJAV-SFQUDFHCSA-N 350.458 5.564 0 1 FKAF CCCC(=O)c1cnc2c([C@@H](C)O)cccc2c1Nc1ccc(O)cc1C 603457 KKROLBPZTBQBCJ-CQSZACIVSA-N 364.445 5.029 0 1 FKAF C[C@@]12C[P@](=O)(c3ccccc3)C[C@@H]1c1ccccc1[C@@H]2c1ccccc1 5852943 USAJZDLDKCTBFR-TWZJLLKVSA-N 358.421 5.624 0 1 FKAF Oc1c(Cl)cc(Cl)c2ccc(/C=C/c3ccccc3Cl)nc12 6338971 PTQSJEUQNINTFF-AATRIKPKSA-N 350.632 6.071 0 1 FKAF Fc1ccc([C@@H](Oc2ccc(Cl)c(Cl)c2)[C@H]2CCCNC2)cc1 13530769 XWBPISXEMVNFRZ-SCLBCKFNSA-N 354.252 5.252 0 1 FKAF CNCC[C@@H](Oc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1 13588068 WGXGFDYUAPSJDQ-LJQANCHMSA-N 359.391 5.588 0 1 FKAF O=C(CCc1ccccc1)NCCc1c(-c2ccccc2)[nH]c2ccccc12 13740897 LDMHSZPPVKXYSP-UHFFFAOYSA-N 368.480 5.126 0 1 FKAF CCN(CC)CC[C@H]1C(c2ccccc2)=NN(C)[C@@H]1c1ccc(Cl)cc1 28520234 KATLIWHBKOOPTD-RBBKRZOGSA-N 369.940 5.079 0 1 FKAF Cc1cccc(CC/C=C/[C@@H]2[C@H]3CC(CCCCC(=O)O)=C[C@H]3C[C@H]2O)c1 33983505 UZEWMXSWYKBMJG-ROHPBGETSA-N 368.517 5.072 0 1 FKAF in-vitro CC1(C)C[C@H](NC(=O)Nc2ccc(Cl)cc2)c2cc(Cl)ccc2O1 38224588 XCNTZWMMYVKZPH-HNNXBMFYSA-N 365.260 5.417 0 1 FKAF Cc1ccc(-c2nc(-c3c(C)[nH]c4ccccc34)[nH]c2-c2ccccc2)cc1 49110218 SDEKISRDGQEPLX-UHFFFAOYSA-N 363.464 6.509 0 1 FKAF COc1ccc(/C=C/[C@@](C)(/C=C/c2ccc(O)cc2)CCC=C(C)C)cc1 53230890 YUBDDAFYPBAOLK-STEACYEYSA-N 362.513 6.880 0 1 FKAF Cc1cccc2cc(CNc3ccc(Cl)c(Cl)c3)c(Cl)nc12 66065913 GZDDLYPKHYDCJM-UHFFFAOYSA-N 351.664 6.116 0 1 FKAF O=C(O)c1cc(C2CC2)ccc1Cc1ccc(-c2ccccc2Cl)nc1 96173370 FLKSDKVFCAXYME-UHFFFAOYSA-N 363.844 5.568 0 1 FKAF CN(c1ccccc1)c1nc2cc(-c3ccc4c(ccn4C)c3)ccc2o1 140569048 MVYARKAUCYWWLH-UHFFFAOYSA-N 353.425 5.754 0 1 FKAF CN(C)CCCN1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 148728945 QPYNETAIAKXHTF-BCSMXPLCSA-N 373.544 5.235 0 1 FKAF CCCCN(CCCC)C[C@@H](O)c1cc2sccc2c2ccsc12 169336952 PFFPJPSMUBTFOT-GOSISDBHSA-N 361.576 6.052 0 1 FKAF Oc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1 299826050 RXRXDWKLZUYZKS-SFHVURJKSA-N 354.862 5.463 0 1 FKAF Oc1ccc(C(c2ccc(O)cc2)C2CCC(Cl)(Cl)CC2)cc1 473159661 XNCYLEQEGRTCIS-UHFFFAOYSA-N 351.273 5.594 0 1 FKAF CC(C)[C@H]1CCc2nc3ccc(O)c4c3c(c2[C@@H]1C)-c1ccccc1C4=O 586990025 HXFQZRWUJXAGKO-ZIAGYGMSSA-N 357.453 5.474 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(C(F)(F)F)cc2[nH]1 587011481 KQOIFCYLOMIHEC-UHFFFAOYSA-N 373.403 5.604 0 1 FKAF Cc1cc(Cl)cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587017499 MFHDZDVKXJEWID-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF Oc1ccc2scc(-c3nc4cc(Br)c(F)cc4[nH]3)c2c1 587032983 OOLGBDWXKOTGAJ-UHFFFAOYSA-N 363.211 5.052 0 1 FKAF Cc1nn(-c2cccc(-c3nc4cc(Cl)cc(C)c4[nH]3)c2)c(C)c1Cl 587065212 MFZMTTXCVYUGFL-UHFFFAOYSA-N 371.271 5.648 0 1 FKAF C[C@@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccccc1C(F)(F)F 587097781 NLGFHARUDYVRHM-SSDOTTSWSA-N 360.166 5.435 0 1 FKAF Cc1cnc(Cl)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587103445 IEMIVXJHEOTYBX-UHFFFAOYSA-N 356.812 5.470 0 1 FKAF O=C(CCc1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccc(F)cc1 587161741 BWFGINQENNIFSB-UHFFFAOYSA-N 374.415 5.097 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(C)c(C)c3[nH]2)c1 587239410 XLMBCCCQOHXEHV-UHFFFAOYSA-N 356.473 5.789 0 1 FKAF O=C(c1ccc(Br)cc1F)c1coc2ccc(Cl)cc12 587278397 LOGFRHCHUXGDAB-UHFFFAOYSA-N 353.574 5.219 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Oc1ccc(F)cc1)O2 587384537 LUXRVPAPPBEQSD-OAQYLSRUSA-N 363.388 5.215 0 1 FKAF Cc1ccc(Oc2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587403490 NLUOBYNVKOXRRW-QFIPXVFZSA-N 359.425 5.384 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Oc3ccccc3)cc1)O2 587404019 SZVVGOMOCRYGTC-QHCPKHFHSA-N 359.425 5.250 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(C)c1)CC2=O 587487654 GCCXJBCFUUIEHI-VWLOTQADSA-N 372.464 5.562 0 1 FKAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2c1OC(C)(C)C2 587535691 NCSONTWLUKVLDE-NRFANRHFSA-N 362.469 5.294 0 1 FKAF CC(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1cccn1 587627703 JAFNTVJKDNVDJA-UHFFFAOYSA-N 361.289 5.515 0 1 FKAF Fc1cccc2[nH]c(-c3ccccc3)c(-c3ccccc3Br)c12 587632054 CAUATGBXGUNIKD-UHFFFAOYSA-N 366.233 6.404 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c([C@H](C)NC(=O)OC(C)(C)C)c(C(C)C)c2c1 587642114 JKKDKJKEXNPJLF-CABCVRRESA-N 358.526 6.391 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3F)c(C)c2c1 587642265 MBBBYZUOAFYUIW-LLVKDONJSA-N 360.270 6.558 0 1 FKAF Cc1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587699066 RIFZPMXEZLAXNE-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF Cc1cc(C)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587813377 BWMIHWWRTGBVGI-ORAYPTAESA-N 362.286 5.003 0 1 FKAF CSc1ccc(-c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc1 587925868 VEUJUKOQVLRXKE-UHFFFAOYSA-N 352.311 6.506 0 1 FKAF COc1ccc(C2(c3nc4ccc(Cl)c(C)c4[nH]3)CC3(CCC3)C2)cc1 587935810 JJHKHPLUNVRXNI-UHFFFAOYSA-N 366.892 5.784 0 1 FKAF C[C@@H]1CC=CC[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587966361 DEMCOHDRABTNCO-RKDXNWHRSA-N 359.189 5.414 0 1 FKAF CC(C)=CCC/C(C)=C\c1nc2cc(Br)c(F)c(F)c2[nH]1 587969526 YRNXCKRGGOXCOB-YFHOEESVSA-N 355.226 5.753 0 1 FKAF Cc1ccccc1-c1cccc(-c2noc(Cc3c[nH]c4ccccc34)n2)n1 653710223 UCPCVROHVJYARR-UHFFFAOYSA-N 366.424 5.179 0 1 FKAF C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H](Nc3ccc(O)cc3)CCC[C@@]21C 1857609162 WQJQTDZKKVNDIN-GOBSUPISSA-N 373.581 5.966 0 1 FKAF COc1cc([C@H]2C=CCC[C@@H]2C=Cc2ccc(OC)c(OC)c2)ccc1O 2356482464 NNDAWFGRMQFDQC-MJGOQNOKSA-N 366.457 5.181 0 1 FKAF O[C@](c1ccccc1)(c1nc(-c2ccc(Cl)cc2)cs1)C(F)(F)F 61930818 XRSSWDIQHUNZKS-MRXNPFEDSA-N 369.795 5.262 0 3 FKAF CN(C)c1cccc(Nc2nccc3c2cc(-c2cccc(F)c2)n3C)c1 74386815 KPMJBZNOVYQLCV-UHFFFAOYSA-N 360.436 5.189 0 3 FKAF CSc1cccc(-n2cnc(-c3ccc(F)cc3)c2-c2ccncc2)c1 3815729 KCRPPQYLFPCZML-UHFFFAOYSA-N 361.445 5.462 0 1 FKAF O=c1oc2ccccc2c2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 26646686 HFLUBPNFCHKXGY-UHFFFAOYSA-N 371.823 6.057 0 1 FKAF Oc1ccc(-c2noc(-c3ccc(O)cc3)c2/C=C/c2ccccc2)cc1 34647668 UESVJAKCJXHTKY-GIDUJCDVSA-N 355.393 5.590 0 1 FKAF CC[C@H](C)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801283 DAXMFHJYAYLAJM-RDWUBZNHSA-N 373.581 5.081 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]21CCCCC(=O)O1 38345131 QBMIPNMCJMPUOV-IDNQLYMWSA-N 354.490 5.104 0 1 FKAF COc1ccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cc1 139498012 LZEDJPAGXOCPBS-UHFFFAOYSA-N 369.424 5.688 0 1 FKAF CCc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1O 586992023 RTIFPYGYKRRCPA-UHFFFAOYSA-N 367.404 5.087 0 1 FKAF Fc1cccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 587015383 NTKOXAUIBAWOQC-UHFFFAOYSA-N 364.232 5.799 0 1 FKAF Cc1cc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2cc1Cl 587051713 UIIIAYJSQDUDNA-UHFFFAOYSA-N 362.260 5.440 0 1 FKAF Clc1cccc(COc2ccc(-c3nc4cnc(Cl)cc4[nH]3)cc2)c1 587070440 IWYNCFRPRDOPNK-UHFFFAOYSA-N 370.239 5.511 0 1 FKAF Cc1cnc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 587082964 XKQJFIXXAUXCRA-UHFFFAOYSA-N 370.843 5.802 0 1 FKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccccc3[nH]2)c(Cl)c1 587157728 BTHJCLVPDJFGNL-IBGZPJMESA-N 352.796 5.524 0 1 FKAF CC(C)=CC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354639 OIOMGHYUGNNYDY-GMAHTHKFSA-N 366.432 5.395 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)Cc1ccccc1-3)CC2=O 587478646 HAUOWFTWVJZDQG-DEOSSOPVSA-N 370.448 5.622 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccnc3)cc1)CC2=O 587491944 VDXUMBZYQPBOBS-JOCHJYFZSA-N 359.425 5.113 0 1 FKAF CC(C)CC[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600265 NMGQYGPFWBAFLQ-CVDCTZTESA-N 368.473 5.575 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c([C@@](O)(c3ccccc3)C(F)(F)F)c2c1 587641118 KAWPMDFSUODVJJ-RBZFPXEDSA-N 361.407 5.788 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3ccc(Br)cc3F)c2c1 587642783 QEKANBMTNKZNSD-LLVKDONJSA-N 360.270 6.558 0 1 FKAF C(=C\c1ccccc1)\COCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587781928 ZHDDZTMOHDCQGX-GHXNOFRVSA-N 370.452 5.372 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)cc1O 587786183 JQAPJUBEWVTXBE-UHFFFAOYSA-N 368.795 5.404 0 1 FKAF Cc1ccc2[nH]c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587805362 UAAVOMBIZMMNSO-NSPYISDASA-N 373.269 5.002 0 1 FKAF c1ccc(C[C@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587955219 IKDOJNLJENQVKI-LJQANCHMSA-N 370.452 5.099 0 1 FKAF Clc1cccc(Cl)c1-c1cc(-c2ccc(-n3cccc3)cc2)on1 653803323 WERPMWXZMBQCDJ-UHFFFAOYSA-N 355.224 6.106 0 1 FKAF COc1cccc(N(C)C(=O)C2CCC(c3ccc(Cl)cc3)CC2)c1 653806062 MFKMQGLTFAHDPK-UHFFFAOYSA-N 357.881 5.285 0 1 FKAF FC(F)(F)C(=C[C@H]1NCCc2c(Cl)cc(Cl)cc21)C(F)(F)F 963116098 BQNSBWLKSBRNKB-SNVBAGLBSA-N 364.116 5.231 0 1 FKAF CCCCCC[C@@H]1OC(=O)[C@H]1CCCc1ccc(-c2ccccc2)cc1 1857591510 UGQDNKICOVHTSS-GOTSBHOMSA-N 350.502 6.188 0 1 FKAF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]32)C1 2356664054 FLRSLUQBFCJCGO-OTHWRCMBSA-N 362.554 5.223 0 1 FKAF CCCCc1c(-c2ccccc2OC)ncn1CCc1ccccc1OC 95564615 XTSTVWUNMVQOJU-UHFFFAOYSA-N 364.489 5.153 0 3 FKAF c1ccc(CCCCCOCC2CCN(Cc3ccccc3)CC2)cc1 13730150 XCCHOGVTIKXTIW-UHFFFAOYSA-N 351.534 5.328 0 1 FKAF CC(C)CNc1nc(/C=C/c2ccccc2)cc(NCc2ccccc2)n1 40429195 UBRMVBAUNIEZDA-BUHFOSPRSA-N 358.489 5.327 0 1 FKAF Nc1cc(N2CCCC2)nc2nc(-c3ccccc3)c(-c3ccccc3)cc12 43024203 ZZWPKJKUUQDUHG-UHFFFAOYSA-N 366.468 5.146 0 1 FKAF Fc1ccc(-c2cc(-c3nc4ncccc4[nH]3)c3cc(Cl)ccc3n2)cc1 84710739 HFEVHJZPGMMQLI-UHFFFAOYSA-N 374.806 5.633 0 1 FKAF CCCCOc1cccc(-c2cc(Oc3ccccc3)cc(C(=N)N)c2)c1 89469752 ILNLXEHLDZXTBQ-UHFFFAOYSA-N 360.457 5.609 0 1 FKAF Cc1ccccc1COc1ccccc1/C=C/C=C1\SC(=S)N=C1O 96906483 QAJHSXRVGRPJFI-AWTFBBCTSA-N 367.495 5.459 0 1 FKAF O[C@]1(C(F)(F)F)c2ccccc2-c2c(Cl)cc(-c3ccncc3)cc21 144740745 DWBVPXYATWUPNB-GOSISDBHSA-N 361.750 5.181 0 1 FKAF Cc1cccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)c1 299833652 VKAXAONATIAJDD-UHFFFAOYSA-N 350.425 5.830 0 1 FKAF Cc1c(Br)cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1C 586884524 QOCRMHHTHVRVDN-WZFJYNIESA-N 359.311 5.410 0 1 FKAF Clc1cc(Br)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 586887945 VNZOGMKSCMQVKT-UGSOOPFHSA-N 373.681 5.350 0 1 FKAF CCCCC1CCC(c2nc3ccc(Br)c(O)c3[nH]2)CC1 586892179 VABPFGGOGSKAAL-UHFFFAOYSA-N 351.288 5.495 0 1 FKAF CC(=O)c1ccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 587014577 NMLREYAEMINUHB-UHFFFAOYSA-N 367.861 5.518 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc12 587072410 VWWDXLBPNSQGFE-UHFFFAOYSA-N 368.267 6.216 0 1 FKAF Clc1nc(-c2nc3c(cnc4ccccc43)[nH]2)ccc1-c1ccccc1 587084086 UYVQECGRRGAFLR-UHFFFAOYSA-N 356.816 5.494 0 1 FKAF Cc1ccc2c(ccc3nc(Cc4ccc(-c5ccccc5)c(F)c4)[nH]c32)n1 587144805 BCHRZUXBEUHSHV-UHFFFAOYSA-N 367.427 5.816 0 1 FKAF Cc1c(-c2ccc(Cl)s2)nc2cccc3c2c1-c1ccccc1C3=O 587207164 CFIDLWSYRYRLFN-UHFFFAOYSA-N 361.853 6.137 0 1 FKAF O=C(c1cc(Cl)nc(-c2ccccc2)n1)c1coc2ccc(Cl)cc12 587278753 SNXJFXDWDGHNKS-UHFFFAOYSA-N 369.207 5.428 0 1 FKAF C[C@H]1Cc2cc(Cl)ccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587497927 CFHQKZWFMBEGKU-XMHCIUCPSA-N 352.861 5.272 0 1 FKAF Cc1cc2c(cc1Cl)[C@@]1(C=CO2)CC(=O)c2ccc3c(c2O1)CCCC3 587502752 SXROSZBGDAIWKY-JOCHJYFZSA-N 366.844 5.294 0 1 FKAF CCCOc1c(OC)cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521595 INZFARANEZEYOB-OAQYLSRUSA-N 366.457 5.069 0 1 FKAF Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccc(F)cc2)cc1 587630008 CZICSLRKNMFBKN-UHFFFAOYSA-N 357.762 6.573 0 1 FKAF O=C(c1ccccc1O)c1c(-c2ccc(Cl)cc2)[nH]c2cccc(F)c12 587633184 UERJYBAAOFCVSR-UHFFFAOYSA-N 365.791 5.564 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(C)(C)C)(C2CC2)N1 587815785 QEZODDRFJRMHIL-VOJFVSQTSA-N 354.307 5.164 0 1 FKAF C[C@H]1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587817005 HEOZIWIMAYMAJN-RDXCRGQUSA-N 374.297 5.263 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2CCC2)N1 587820994 SBYRZNNLRSPILG-ZUOKHONESA-N 374.297 5.166 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cs2)N1 587844876 CJWLQNBLYABWHL-GLEZIHRCSA-N 374.706 5.101 0 1 FKAF Cc1cccnc1-c1ccc2c(c1)CC[C@@H](C)[C@@H]2C(=O)c1ccc(O)cc1O 653633709 PNMORMAFEGBQRP-PEBXRYMYSA-N 373.452 5.017 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2OC)(C2CCCC2)N1 962942570 FWLOVRDAGHKZHS-BVZFJXPGSA-N 374.528 5.535 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1csc2cnc(Cl)nc12 963241706 NLLYKIRZGLVUBP-KZULUSFZSA-N 357.910 5.091 0 1 FKAF COc1ccc(CN2c3ccccc3Oc3ccccc32)c(C(F)(F)F)c1 1772592272 MEUKTWHKEICDNU-UHFFFAOYSA-N 371.358 6.158 0 1 FKAF O=C(c1cnc(NC(=O)C2CCCCC2)s1)c1cccc2ccccc12 1857654070 WRIVTQGMNQUYTI-UHFFFAOYSA-N 364.470 5.046 0 1 FKAF CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@H]2[C@@H](OC(=O)C=Cc2ccccc2)C1 2356687056 BSHLGQPIUIDMJX-XGAJZPNHSA-N 368.517 5.155 0 1 FKAF CCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n1[C@@H](C)C1CCC1 13479583 LXIJMCYSPGOIKM-LBPRGKRZSA-N 374.315 6.329 0 1 FKAF CSc1ccc(C(=O)[C@H](Nc2ncccc2Cl)c2ccccc2)cc1 13588965 XYRKEXXWENKGGP-GOSISDBHSA-N 368.889 5.493 0 1 FKAF CC(C)c1ccc(O[C@](C)(Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1 13604769 OYLAQBCBAYNKJH-LJQANCHMSA-N 366.379 5.294 0 1 FKAF CCOC(=O)/C=C/c1ccc2c(cc(C)n2-c2ccccc2)c1SCC 28524967 JXELEWZRNAZILL-WYMLVPIESA-N 365.498 5.627 0 1 FKAF Cc1ccc(C[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 39233850 MXVGNFLAZDGHPE-VWLOTQADSA-N 362.561 5.229 0 1 FKAF Fc1ccc([C@@H](CCn2ccnc2)Oc2cc(Cl)cc(Cl)c2)cc1 40393234 UCOKDVFXFIVZRO-GOSISDBHSA-N 365.235 5.539 0 1 FKAF Cc1ccccc1-c1nc(NCC2CC2)ncc1-c1nc(C)c(C)s1 82177316 YHPCCMKOCYNNFT-UHFFFAOYSA-N 350.491 5.014 0 1 FKAF CCN(CC)CC[C@@H](C)COc1c(Cl)cc(Cl)c2ccc(C)nc12 95593240 FHOXBULBLFHKEJ-CYBMUJFWSA-N 369.336 5.597 0 1 FKAF Oc1sc(Nc2cccc(C(F)(F)F)c2)nc2c3ccccc3nc1-2 101474336 IQKMRAUGVULWEE-UHFFFAOYSA-N 361.348 5.264 0 1 FKAF Cc1cc(-c2cccc(C(F)(F)F)c2)c(NCc2ccccc2F)nn1 103291067 CZHRXSRJTRCLQJ-UHFFFAOYSA-N 361.342 5.222 0 1 FKAF CCCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118929256 YDLVZJHEMPUSFL-XSIUSZODSA-N 358.610 6.753 0 1 FKAF biogenic C[C@@]12C[C@](C)(C=C1/C=C\c1ccc(F)cc1)C(=O)C[C@@H]2c1ccc(F)cc1 169343771 MLERNJKRLAOFMP-HUAUOJGNSA-N 364.435 6.077 0 1 FKAF COc1cc(C(=O)N(C)c2cccc(C)c2)sc1-c1cccc(C)c1 299835801 LWFWLRCTEFLPRY-UHFFFAOYSA-N 351.471 5.317 0 1 FKAF FC(F)(F)Sc1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586883617 CPOZZEFROCJKMB-RDTXWAMCSA-N 360.404 5.546 0 1 FKAF COc1cc(/C=C\c2nc3ccc(Cl)cc3[nH]2)ccc1Br 586977924 VQZKADXKMSGEDJ-CLTKARDFSA-N 363.642 5.158 0 1 FKAF Fc1c(Cl)cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1F 587053299 BSKOZPGPYDWFBP-SNAWJCMRSA-N 359.590 5.972 0 1 FKAF Clc1ccccc1-c1nc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)co1 587063077 NKTVVSKQIQKKGD-UHFFFAOYSA-N 365.607 5.240 0 1 FKAF CC(C)Oc1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587074812 CSSIDPQKBHNYBB-FQEVSTJZSA-N 369.896 5.341 0 1 FKAF FC(F)(F)Oc1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 587107198 PWNSPPCDSPYOHZ-UHFFFAOYSA-N 360.257 5.071 0 1 FKAF CSc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587137514 AAKUBPVOZHGITA-UHFFFAOYSA-N 371.662 5.507 0 1 FKAF COc1cc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c2cc1C 587139815 YIWZQIKWXDOOEN-UHFFFAOYSA-N 374.415 5.556 0 1 FKAF Cc1cc(Cl)cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c12 587145903 USKBGJVQTOQJHR-UHFFFAOYSA-N 354.787 6.137 0 1 FKAF Cc1ccc(/C=C/c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1F 587146440 MEUCUJUAPOTGAD-SNAWJCMRSA-N 354.734 5.853 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(Br)cc(F)c3[nH]2)c1F 587152409 MRYJDJMTLOJQTM-UWVGGRQHSA-N 367.168 5.014 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(Br)c(F)c2[nH]1 587156778 YVHUBOPKYRJPGQ-GFCCVEGCSA-N 367.193 5.134 0 1 FKAF CCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354586 NUNHLGHSRJDEQG-IRLDBZIGSA-N 356.437 5.619 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc4ccccc34)o1)O2 587415292 ZPNNFWFRSMSHNC-HSZRJFAPSA-N 369.420 5.697 0 1 FKAF Cc1oc2ccc(O)cc2c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587532312 KZKMQTUKGBUAEF-HSZRJFAPSA-N 362.425 5.206 0 1 FKAF CC(C)(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601753 GYARKPNOVRBPRT-REWPJTCUSA-N 374.436 5.393 0 1 FKAF C[C@]1(c2ccccc2C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602639 KMZFPVMCYXPNEN-ZJSXRUAMSA-N 372.420 5.147 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)c(C)c3)c(C(=O)C(F)(F)F)c2c1 587642636 UCUZBYQLUCSLGA-GFCCVEGCSA-N 373.418 6.710 0 1 FKAF CC/C=C/CCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587817269 BBFFSUXSCRRMCS-DROOOQRISA-N 368.334 6.080 0 1 FKAF CC/C=C(\c1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821414 UVXBXJVWXKPJJV-GTSZMSSWSA-N 374.297 5.657 0 1 FKAF Cc1ccc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c(Br)c1 963106151 QVFLEJLOBSZXTN-LIRRHRJNSA-N 360.270 5.007 0 1 FKAF C[C@H](Oc1cccc(Cl)c1)[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963113643 ZAMLVUFWZZIDJG-DHUIEDIVSA-N 359.872 5.182 0 1 FKAF c1ccc2c(c1)ccn2-c1ncnc2ccc(-c3ccc4[nH]ccc4c3)cc12 1857534468 AJOKVDLVLNSTBJ-UHFFFAOYSA-N 360.420 5.722 0 1 FKAF O=C(O)CCc1nc(-c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)o1 1857540039 VPOCIZGVPHGGLD-UHFFFAOYSA-N 361.319 5.045 0 1 FKAF Cc1nc2ccccc2c(-c2cccs2)c1[C@@H](OC(C)(C)C)C(=O)O 1857773953 RONRJRGDFYBRHU-GOSISDBHSA-N 355.459 5.213 0 1 FKAF CCCC[C@@H](C(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1CC 1911573600 VWOGQVJNHBQWLD-HSZRJFAPSA-N 367.533 5.346 0 1 FKAF COc1cc(C)c2c(c1)CC[C@@](C)(CCC=C(C)CC=C[C@H](C)C(=O)O)O2 2356388037 OJGFGARWDJAVNO-GAJHUEQPSA-N 372.505 5.481 0 1 FKAF C[C@@]1(c2nnc(-c3ccccc3)o2)CC(c2c(Cl)cccc2Cl)=NO1 12726941 LQXNQIRECOXQDP-SFHVURJKSA-N 374.227 5.083 0 3 FKAF CCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 13140037 NSMKWGGRWAFJDI-YUXJCULASA-N 360.501 5.123 0 1 FKAF CC(C)OCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 13610564 HCOITSKITNMVHU-QIRFFAKOSA-N 372.549 5.041 0 1 FKAF Cc1ccc2c(c1)[C@H](C(=O)Nc1ccccc1C(C)C)c1ccccc1CO2 13735176 VUUXTSZTYACSOI-XMMPIXPASA-N 371.480 5.781 0 1 FKAF COc1cccc(O)c1C(=O)CCCCCCCCc1ccc(O)cc1 14585521 RIAGDOZDWVDTRR-UHFFFAOYSA-N 356.462 5.263 0 1 FKAF biogenic CC(C)c1ccc(-c2nc3ncccn3c2NCc2ccc(F)cc2)cc1 21631564 NWDDQCSPFZMFGJ-UHFFFAOYSA-N 360.436 5.271 0 1 FKAF Clc1ccc([C@H]2SC3(CCNCC3)c3ccccc32)cc1Cl 27864900 QVVIRWZJPSLRTI-QGZVFWFLSA-N 350.314 5.408 0 1 FKAF Fc1cnc(Nc2ccc3[nH]ccc3c2)nc1Nc1ccc2[nH]ccc2c1 28522651 PXFPIYJBSGPDHK-UHFFFAOYSA-N 358.380 5.066 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@H](CN(C)C)C[C@H]21 28769921 ZXKGLKKHBVMHIF-GBESFXJTSA-N 359.554 5.357 0 1 FKAF CCCCC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3 29041617 JGCVBGVDWQJTDF-HXUWFJFHSA-N 363.501 5.315 0 1 FKAF in-vivo Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)C1CCC1 72175959 AHQUYLCMIRTGRZ-HXUWFJFHSA-N 354.881 5.174 0 1 FKAF C[C@@H]1CCC[C@H](NCc2coc(-c3ccccc3Br)n2)[C@@H]1C 72179986 YTDJPRCFNNVFHH-XNJGSVPQSA-N 363.299 5.018 0 1 FKAF CCCCCCOc1cc(C)cc2c1[C@H](C)CC[C@H]2[C@@H](C)CCC=C(C)C 84671173 GOZAHJBEHNOZFZ-ZRBLBEILSA-N 370.621 8.318 0 1 FKAF COc1ccc(C(=O)O[C@H]2C/C=C(\C)CCCC(C)(C)[C@H](O)/C=C/2C)cc1 87723319 UIBZVWWCDCGANN-SZYREBCHSA-N 372.505 5.074 0 1 FKAF CSc1ccc(Nc2nc(-c3c(Cl)cccc3Cl)cs2)cc1 103277623 UIOFVWBOWPHFOR-UHFFFAOYSA-N 367.326 6.582 0 1 FKAF Cc1cc2c(NC(=O)N[C@H]3CC[C@H](c4ccccc4)C3)c(F)ccc2cn1 169704862 BLFYIBROKHRKEJ-WMZOPIPTSA-N 363.436 5.140 0 1 FKAF CC(=O)[C@H]1CC[C@]2(C)[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 238756385 QNGSNHFSHGHNJR-VNCGZWQCSA-N 372.593 6.220 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)CC1 586880047 KNJWWBMVYOWJGA-QAQDUYKDSA-N 366.936 7.347 0 1 FKAF Oc1c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)ccc2c1CCCC2 586899007 VQMIVQLUARDBFH-UHFFFAOYSA-N 356.425 5.607 0 1 FKAF O=C1c2ccccc2-c2cc(-c3c(F)cccc3F)nc3ccc(O)c1c23 586985951 HYHWNWBSPDKQIL-UHFFFAOYSA-N 359.331 5.097 0 1 FKAF Cc1nc2ccc(O)c3c2c(c1CC(F)=C(F)F)-c1ccccc1C3=O 586987182 UJRGJIITLGOBSI-UHFFFAOYSA-N 355.315 5.080 0 1 FKAF Cc1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 587071646 MGBNPXWQZHRUQR-WTAPAWHGSA-N 371.311 6.544 0 1 FKAF FC(F)(F)Sc1ccc(/C=C/c2nc3c(Cl)ccnc3[nH]2)cc1 587126200 VWMVXMVHWRAKKO-ZZXKWVIFSA-N 355.772 5.394 0 1 FKAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(F)cc4[nH]3)c(F)c2)c1 587138737 SNQCADXUGXAJPN-UHFFFAOYSA-N 368.314 5.012 0 1 FKAF Cc1cnc(Cl)c2[nH]c(Cc3ccc(-c4ccccc4)c(F)c3)nc12 587145705 OXMIOVIYHRYRNH-UHFFFAOYSA-N 351.812 5.317 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587153089 LCTJVLBELVSDHN-UHFFFAOYSA-N 372.378 5.361 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(ccc2ccccc12)C3 587208435 WJYCXKBIQHSOIS-UHFFFAOYSA-N 369.423 6.171 0 1 FKAF Clc1cc(Br)cc2c1Cc1c-2nc2cccc3c2c1CC3 587208701 XRSLMBGXEKHDJN-UHFFFAOYSA-N 356.650 5.321 0 1 FKAF Fc1ccccc1-c1nc2c(s1)-c1nc3cccc4c3c(c1CC2)CC4 587212948 NNWYYXJKUYTEKH-UHFFFAOYSA-N 358.441 5.362 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)c1 587236522 XDQGZNKXXYKUHF-UHFFFAOYSA-N 369.255 5.640 0 1 FKAF O=C(c1ccc(Br)c(Cl)c1)c1coc2ccc(Cl)cc12 587277001 YQFGOHSZCXWGJW-UHFFFAOYSA-N 370.029 5.733 0 1 FKAF COc1cccc(-c2c(C)c([C@@H]3CCCNC3)nc3c2oc2ccccc23)c1 587363720 UFFVBBUOMANWBF-QGZVFWFLSA-N 372.468 5.432 0 1 FKAF C[C@@]1(c2ccc(-c3ccccc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587533173 UTWVBAJRBGQJGU-DEOSSOPVSA-N 374.505 6.175 0 1 FKAF Cc1cc(C)c2c(c1)[C@]1(CCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587535571 LILCIYNPRYSCLK-DEOSSOPVSA-N 362.469 5.216 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1-c1ccc(Br)cc1F 587624634 OCZWRJVCULIWCI-UHFFFAOYSA-N 352.634 6.007 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)cc2)N1 587699430 KRIWOWAGRJPULD-BMLIUANNSA-N 368.677 5.039 0 1 FKAF Cc1ccc([C@H](C)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587818744 JCIOTZXMZMRHBH-NQCMUKECSA-N 362.286 5.276 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(c3ccccc3)C2)N1 587819502 IJRJHEBRZOURPB-LJLKPOLSSA-N 374.297 5.069 0 1 FKAF CC1=CC(C)(C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587819990 XQXXKOQURTVVNW-SGTLLEGYSA-N 352.291 5.084 0 1 FKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc3c(c2[nH]1)CCCC3 587928246 ZNJZGXQJKQOXGP-MRXNPFEDSA-N 350.462 5.001 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(C)c(Br)cc2[nH]1 587950382 LALHHSYUQZDSAG-BNLOLNQZSA-N 365.315 5.680 0 1 FKAF CC(C)N(Cc1ccccc1)CC(C)(C)[C@@H](O)c1ccc2ccccc2c1 653854045 WMNCGEKCHKGKIL-DEOSSOPVSA-N 361.529 5.810 0 1 FKAF Cc1[nH]c2ccccc2c1[C@H]1c2cccc(F)c2CCN1[C@H]1CCSC1 962719042 VELSBRFIVBQPKB-OYHNWAKOSA-N 366.505 5.068 0 1 FKAF CC(C)C1=CC[C@]2(C)[C@H](O)CC[C@@](C)(OC(=O)C=Cc3ccccc3)[C@@H]2C1 2356428186 AMEXRSNEDWSVJH-CJTFWIGWSA-N 368.517 5.155 0 1 FKAF CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)C=Cc2ccccc2)C1 2356687055 BSHLGQPIUIDMJX-RBVMOCNTSA-N 368.517 5.155 0 1 FKAF CC(=CCc1c(O)cc(C)c(C=O)c1O)CC[C@]1(C)CC[C@@H](C)C(=O)[C@@H]1C 2356703765 SZXAFXOYHGJSFA-LPXYKDPNSA-N 372.505 5.129 0 1 FKAF CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(F)cc3)c(CC(=O)O)n2C1 13737367 TUUOQYCXIVGFBS-UHFFFAOYSA-N 363.432 5.171 0 1 FKAF Cc1cc(Cl)c2ccn(-c3ccc(C(C)C)cc3Br)c2n1 13794652 PUXGFALKNTZHGS-UHFFFAOYSA-N 363.686 5.873 0 1 FKAF CC(C)c1cc(C(C)C)n(C[C@@H](C)OC(=O)Nc2ccc(F)cc2F)n1 40420394 FJRGSSWJWAACOR-CYBMUJFWSA-N 365.424 5.045 0 1 FKAF O=c1c2ccccc2c(Cc2ccc3ccccc3c2)nn1-c1ccccc1 40564202 OKISHRPNAPGEBG-UHFFFAOYSA-N 362.432 5.130 0 1 FKAF O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccc(O)cc1)C1CCCCCCC1 64539455 YZQOTLPLSCZECK-JOCHJYFZSA-N 371.427 5.269 0 1 FKAF CC(C)(C)c1ccc(-n2c(=S)oc3ccc(Cl)cc3c2=S)cc1 64559371 JINHIFWSDADUAT-UHFFFAOYSA-N 361.919 6.633 0 1 FKAF C[C@@H](Cn1ncc2c(Nc3cccc(Cl)c3)ncnc21)c1ccccc1 71316460 XFCBZNMZGGDLOU-AWEZNQCLSA-N 363.852 5.027 0 1 FKAF CCc1c(C)sc(NC(=O)c2ccc(C)cc2)c1C(=O)OC(C)(C)C 95604498 YFAWYXOUAYXLDT-UHFFFAOYSA-N 359.491 5.135 0 1 FKAF Cc1ccc(F)c(-c2nc3ccn(Cc4ccc(C(C)C)cc4)cc-3n2)c1 100068587 VVENASDXYZLBHC-UHFFFAOYSA-N 359.448 5.669 0 1 FKAF CCOc1ccccc1[C@@H]1Nc2ccccc2N=C2CC(C)(C)CC(O)=C21 104693056 SEFZBHXHROKXHQ-QFIPXVFZSA-N 362.473 5.957 0 1 FKAF C[C@H]1CC=C(C(=O)O)[C@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 142536914 HESBGHOTSZPHDX-VFZGTOFNSA-N 366.301 5.423 0 1 FKAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 586907978 PJTQDQLOFAXTGM-AWEZNQCLSA-N 374.465 5.295 0 1 FKAF COc1ccc(F)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 586995462 KZKICYNJJJOKHG-UHFFFAOYSA-N 369.395 5.569 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4c(Br)cc(F)cc4[nH]3)cc2C1 587034858 ZWQCINZJPHADFW-MRVPVSSYSA-N 365.271 5.318 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2n1 587088268 VMOMFZYPPPHCBC-UHFFFAOYSA-N 363.852 5.033 0 1 FKAF CC(=O)c1c(C)[nH]c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1C 587107790 UPJCGPMMNNKYAC-UHFFFAOYSA-N 366.420 5.261 0 1 FKAF Cc1cc(C)c2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2c1 587122042 JCVMJUSKWYYJBS-UHFFFAOYSA-N 366.408 5.512 0 1 FKAF Cc1cc(O)ccc1-c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587206375 JLBKMLPIZAUJNP-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF CCOC(=O)[C@H](Cc1ccc(C(C)C)cc1)c1cc2c3c(cccc3n1)CC2 587212174 PLYGQMQETFZVFQ-OAQYLSRUSA-N 373.496 5.346 0 1 FKAF COc1cc2c3c(c1)O[C@@H](CCc1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587445905 PNOQLWWOVROWFY-YADHBBJMSA-N 370.448 5.111 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cccc1Cl)CC2=O 587460264 LNQMMZZEAIGECZ-INIZCTEOSA-N 351.229 5.358 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc(C(F)(F)F)c1)CC2=O 587464301 NRBOPEICBWIZEP-QGZVFWFLSA-N 368.326 5.209 0 1 FKAF O=C1C[C@@H](c2cc3cc(Cl)ccc3[nH]2)Oc2c1ccc1c2CCCC1 587503765 ZADAUSJHLRAGRG-FQEVSTJZSA-N 351.833 5.407 0 1 FKAF C[C@H](C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)c1cn(C)c2ccccc12 587515387 LYHIAUWCGKQWCV-AEFFLSMTSA-N 373.496 5.585 0 1 FKAF CCCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601742 GVXBRKKFMWQADE-QPPBQGQZSA-N 374.436 5.222 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 587780131 LSYCSLDIVCTHPQ-UHFFFAOYSA-N 372.424 5.067 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C3CCC3)cc2)N1 587824645 YCJAMQMYBWBLNI-ODXCJYRJSA-N 374.297 5.479 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(Cl)c1C 587860929 FZALZVPNVIUBGS-UHFFFAOYSA-N 366.770 5.529 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C)c2cccc(C)c2n1 587871942 QNSRZVAFVVEFHL-UHFFFAOYSA-N 361.420 5.242 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc1 587933549 ZUNBMKZJCRKHEL-UHFFFAOYSA-N 352.796 5.698 0 1 FKAF Clc1cc(Cl)c2c(c1)[C@H](c1ccccc1OC1CCCC1)NCC2 963110847 QNHQUYGNBMXIMF-FQEVSTJZSA-N 362.300 5.550 0 1 FKAF C[C@@]12CC3CC(NC(=S)NC4C5CC6CC(C5)CC4C6)(C1)C[C@](C)(C3)C2 1857751805 LCMAXLURGYRYFG-HDSJHIFHSA-N 372.622 5.024 0 1 FKAF CCCCCN(C)C(=O)C/C(=C\c1ccccc1)c1ccc(OC)cc1 1911576958 LAZHTIMUMJKNDH-HEHNFIMWSA-N 351.490 5.275 0 1 FKAF CCCC=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356616794 GWOQCGQDMPZUMP-MGOGBOLESA-N 368.605 6.839 0 1 FKAF CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)CC[C@H]3c1ccccc1 26280869 MWMIYAJDAPUMAJ-MHECFPHRSA-N 361.485 5.779 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC[C@@H](CCC(=O)O)OC 28130925 DBOOHYIROQIHFK-BGLLVVBISA-N 374.565 6.788 0 1 FKAF CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2)c2ccccc12 29037798 ZRFURRZZPGOMQH-UHFFFAOYSA-N 352.909 6.490 0 1 FKAF FC(F)(F)c1cccc([C@@H]2CN3CCC[C@H]3c3cc(Cl)ccc32)c1 29234365 HZLIZTZPUBOXCK-ROUUACIJSA-N 351.799 5.641 0 1 FKAF C/C(=C/c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 31494416 AJYSMFOKGBZPCF-SSZFMOIBSA-N 362.513 6.603 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCN[C@H](C)C(=O)O 38423091 ZMBYGVKXTACGHR-FQPARAGTSA-N 361.570 6.195 0 1 FKAF in-vitro FC(F)(F)c1cccc(CNCC2CCN(CC3CCCCC3)CC2)c1 45190390 RSPRIOCHHBFLEV-UHFFFAOYSA-N 368.487 5.087 0 1 FKAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(N)c1C 96283515 FKNWKLYWGXANLI-UHFFFAOYSA-N 354.457 5.054 0 1 FKAF O=C(CCCN1[C@@H]2CC[C@@H]1CC(c1ccccc1)C2)c1ccc(F)cc1 100799600 LECUUDCCVOYUHG-FGZHOGPDSA-N 351.465 5.199 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccccn3)CCC[C@@]21C 169343664 FKVIDJSRPQEZTR-QOEYQVKJSA-N 371.565 6.286 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CC[C@H](C)C(=O)NCCC 231934475 SVGIWYPVOLFGAQ-CWSQRDBVSA-N 359.598 6.904 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(C)ccc(C)c4[nH]3)cc2)CC1 586881181 QUKQXDIAKLMADY-MXVIHJGJSA-N 360.545 7.311 0 1 FKAF Cc1c(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)oc2c1[C@H](O)CCC2 586904960 DZDNKZGEEHTKON-GFCCVEGCSA-N 368.380 5.113 0 1 FKAF Cc1cc(F)c2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc2c1 586997264 VSCKQNVXJUQOGZ-UHFFFAOYSA-N 363.230 5.087 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc3cn[nH]c3cc2[nH]1 587012656 QNIIOAKOEGJFEQ-UHFFFAOYSA-N 365.849 5.192 0 1 FKAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(F)cc2[nH]1 587034060 MLLVYDXXQCLYHB-HNNXBMFYSA-N 367.449 5.188 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(C(F)(F)F)cnc2[nH]1 587062985 YWAPOGAQKCDQDS-LBPRGKRZSA-N 355.747 5.160 0 1 FKAF Cc1c(-c2nc3cccc(C(C)(C)C)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075602 JHXWWMYRPSSDDR-UHFFFAOYSA-N 364.880 5.675 0 1 FKAF Clc1ccc2c(c1)C[C@H](c1nc3ccc(Oc4ccccc4)cc3[nH]1)O2 587080364 MJFYGBXKNGWIMA-HXUWFJFHSA-N 362.816 5.685 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1nc(Cl)ccc1CC3 587104346 RMRUDWLQSOGFND-UHFFFAOYSA-N 368.823 5.260 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cnc3ccccc3c2[nH]1 587113865 OFQZUALMIUMQPO-LBPRGKRZSA-N 355.363 5.476 0 1 FKAF CC1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCCCC1 587352012 ICXKAFNCVBAKAU-NFBKMPQASA-N 368.448 5.619 0 1 FKAF C[C@@H]1CC(C)(C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356477 QOMRWXZPIFQNAQ-NHLCRCCNSA-N 354.421 5.085 0 1 FKAF CC(C)CSC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370135 UIJRJWTWJBOGED-FPOVZHCZSA-N 374.477 5.038 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c(Cl)c1)(C1CC1)O2 587377651 XJEHYAOCFFPZFU-IBGZPJMESA-N 362.256 5.155 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(SC3CCCC3)cc1)O2 587408279 ADUMACGHSJPGGE-HXUWFJFHSA-N 353.487 5.318 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)cc1F)CC2=O 587464668 VQHJAOINSHYPGH-KRWDZBQOSA-N 368.326 5.209 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1cccs1)(C1CCCC1)CC2=O 587494844 NQNIBCPQSUGOFO-OAQYLSRUSA-N 356.487 5.457 0 1 FKAF COc1cc(C)c(Cl)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497651 JQZWFLRCESXAHU-IBGZPJMESA-N 370.876 5.551 0 1 FKAF O=C1C[C@@H](c2ccc(OC3CCCC3)cc2)Oc2c1ccc1c2CCCC1 587522485 HXRPIOKBXDXJHV-QHCPKHFHSA-N 362.469 5.593 0 1 FKAF CC[C@@]1(c2ccc(C)cc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603738 RGMPMVKMPRBSOU-URXFXBBRSA-N 374.436 5.276 0 1 FKAF CC(C)[C@@]1(C)CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587822847 MTCNVNPYCUGBFB-UUWFMWQGSA-N 354.307 5.164 0 1 FKAF Cc1ccc(-c2csc(COc3ccc(Cl)cc3Cl)n2)cc1C 587920880 OGZARXAMZAVVEL-UHFFFAOYSA-N 364.297 6.313 0 1 FKAF OCCCc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587922520 DSNMMVNQNXIOIY-UHFFFAOYSA-N 352.434 5.022 0 1 FKAF Cc1ccc2cc([C@@H]3NCCc4cccc(-c5ccccc5)c43)c(O)nc2c1 962668856 OGLXFYJMXHLFFQ-DEOSSOPVSA-N 366.464 5.151 0 1 FKAF CC(C)(C)[C@@H]1CCC[C@@]2(CC1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962728350 DWRGJTVACUXVHN-MDYRTPRTSA-N 367.455 5.154 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1ccc(-c2nccs2)cc1 963096332 DISOCDZVVQLBRI-UYAOXDASSA-N 350.462 5.059 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(Cc1ccc(F)cc1)c1ccncc1 963235528 WUYIAQSMFHEYMU-CLOONOSVSA-N 374.503 5.364 0 1 FKAF Clc1cccc(-c2cnc(NC3CCCCC3)nc2-c2ccccc2)c1 1772618983 VPZSVXYOKDSVLB-UHFFFAOYSA-N 363.892 6.209 0 1 FKAF Clc1ccccc1NCc1ccc(CNc2ccccc2Cl)s1 1857562331 WVFUOOQHTWVVNW-UHFFFAOYSA-N 363.313 6.279 0 1 FKAF O=C1c2ccccc2C=CC(c2ccccc2)=NN1c1ccccc1Cl 6007055 ZAROSUOTGVTDJF-UHFFFAOYSA-N 358.828 5.418 0 1 FKAF CC(C)=CC[C@@H](OC(=O)CC(C)C)c1coc(-c2cc(O)ccc2O)c1 13432861 RQSVDMLEQSPRMK-LJQANCHMSA-N 358.434 5.345 0 1 FKAF biogenic,in-vitro Cc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)c2c1 13477388 VFTJNWIPDOVECS-UHFFFAOYSA-N 361.466 5.214 0 1 FKAF CCN(CC)CCC[C@@H](C)Nc1ccnc2ccc(OC(F)(F)F)cc12 28136805 YFJSCIPHWXUKHB-CQSZACIVSA-N 369.431 5.056 0 1 FKAF Cc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCCCC3)n2)cc1 28470400 NTORMIGZCLXFTF-UHFFFAOYSA-N 368.484 5.591 0 1 FKAF Cc1ccc(CN2CCN(Cc3ccc(C)cc3)C2c2ccccc2)cc1 29132336 RMJAWAALSOLFOS-UHFFFAOYSA-N 356.513 5.320 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CCC4=C(SCCl)C(=O)CC[C@@]43C)[C@H]1CCC2=O 36289305 KEVDHIRSYSCSSY-FZIGSOAOSA-N 366.954 5.345 0 1 FKAF CCCC[C@H](CC)COC(=O)NC(CC)(C(F)(F)F)C(F)(F)F 68573236 UNGGUDVTYJQGPU-JTQLQIEISA-N 351.331 5.202 0 1 FKAF biogenic CCCO[C@@](C)(Nc1ccccc1C(=O)CC)c1onc2ccccc12 68588230 XAWHWJXVMDOXFB-OAQYLSRUSA-N 352.434 5.132 0 1 FKAF biogenic ClC(Cl)(Cl)c1nc(Sc2ccccc2)c2ccccc2n1 84655309 LIZSEWAEWBPHFZ-UHFFFAOYSA-N 355.677 5.608 0 1 FKAF O=C(O)/C(=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccccc1 96921481 YZZFKZCMKICUPJ-LPYMAVHISA-N 369.420 5.372 0 1 FKAF CCC(=O)C(CCCCCCOc1ccc(Cl)cc1Cl)C(=O)CC 138195559 ZJCFYODXNBHUQR-UHFFFAOYSA-N 373.320 5.897 0 1 FKAF CN(C)CCCN1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 148728810 QPYNETAIAKXHTF-MBFACXQVSA-N 373.544 5.235 0 1 FKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@H](OCC)c1ccccc1 299826875 FBRUNVIQYSJYNE-LJQANCHMSA-N 357.837 5.124 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1)[C@H](CSCC)n1cnc2ccccc21 473097882 DLLKNDMLFNNWLF-PMACEKPBSA-N 374.937 5.762 0 1 FKAF Cc1ccc2c3c(cc(Cc4cccc(F)c4)nc13)-c1ccccc1C2=O 586994661 BCFWSUXAPURINU-UHFFFAOYSA-N 353.396 5.485 0 1 FKAF Cc1cc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1F 587013985 FSWSEVJZHGPFHF-UHFFFAOYSA-N 357.841 5.763 0 1 FKAF Cc1cc(C)c2nc(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)[nH]c2c1 587030681 IZLVCJIZABZGQJ-AWEZNQCLSA-N 361.514 6.139 0 1 FKAF COc1cc(-c2nc3cc(C)c(C)cc3[nH]2)cc(Cl)c1OCC(C)C 587046115 KOSSAOVOOHSJSU-UHFFFAOYSA-N 358.869 5.544 0 1 FKAF Cc1cnc(Cl)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc12 587048715 JROYGGLLSCGAFF-RKDXNWHRSA-N 352.652 5.498 0 1 FKAF Cc1ccc2c3c(cc(-c4cnc5ccccc5n4)nc13)-c1ccccc1C2=O 587096380 IZXJWZWTYQRJTB-UHFFFAOYSA-N 373.415 5.365 0 1 FKAF CSc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1F 587103863 NKBRSAGWYCZNDN-UHFFFAOYSA-N 371.436 5.974 0 1 FKAF Fc1cc(C(F)(F)F)ccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587108603 FHELBAPVPCLOAM-UHFFFAOYSA-N 350.649 5.319 0 1 FKAF Fc1ccc(S)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587142582 GGPAMIQZGXOFRF-UHFFFAOYSA-N 350.418 5.237 0 1 FKAF Cc1cncc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587158656 IYFQTFSZICGEFH-IBGZPJMESA-N 367.811 5.227 0 1 FKAF Cc1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2n1 587159943 YZECOSGVAGQVKP-SFHVURJKSA-N 367.811 5.227 0 1 FKAF Fc1ccc(/C=C(\c2nc3cc(Cl)cc(F)c3[nH]2)c2cccs2)cc1 587164200 OPTNEXYZORHJNY-ZSOIEALJSA-N 372.827 6.145 0 1 FKAF Fc1ccc(/C=C(/c2nc3cncc(Cl)c3[nH]2)c2cccs2)cc1 587164290 PMXVPGJGBORMMO-MDWZMJQESA-N 355.825 5.401 0 1 FKAF CCCc1c(-c2cc(Br)ccc2F)nc2cccc3c2c1CC3 587210380 QLTIVDNRVBWIEP-UHFFFAOYSA-N 370.265 5.855 0 1 FKAF CC1(C)CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354153 NDFQMSISITZDSR-UGKGYDQZSA-N 354.421 5.229 0 1 FKAF COc1cccc(-c2cc(-c3cc(C)cs3)nc3c2oc2ccccc23)c1 587364415 DMEJAXIYATUEDV-UHFFFAOYSA-N 371.461 6.694 0 1 FKAF CCCCc1c(CC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366547 VLSVINTZNSXLRZ-UHFFFAOYSA-N 359.469 6.562 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(C)c(C)c1)O2 587406651 TWSDADLPAKNHNN-XMMPIXPASA-N 357.453 5.103 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(-c4cccs4)c1)[C@@H](C2)C3=O 587423015 HTEINZKDSZUOHI-BTYIYWSLSA-N 366.413 5.052 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(C(C)(C)c1ccc(F)cc1)CC2=O 587466744 MMNHQIKFEGHGRN-QFIPXVFZSA-N 356.437 5.186 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)ccc(C)c1Cl)CC2=O 587466837 PASCXPMVEDHPLM-HXUWFJFHSA-N 362.828 5.326 0 1 FKAF CCCCCOc1cccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 587485516 XHOOHHRJXSLJIL-JOCHJYFZSA-N 368.473 5.620 0 1 FKAF COc1ccc(Cl)cc1-c1[nH]c2cc(Cl)c(F)cc2c1C(C)C 587629223 YUSMGDVBSNEVMH-UHFFFAOYSA-N 352.236 6.413 0 1 FKAF Cc1c(-c2cc(F)cc(Br)c2)[nH]c2cc(Cl)c(F)cc12 587629253 GWMWDHFNPVHPFZ-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF Cc1c(-c2ccc(-c3ccccc3F)cc2)[nH]c2ccc(F)c(Cl)c12 587629481 RSCFZYKKBOBQTQ-UHFFFAOYSA-N 353.799 6.742 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c2c1 587640403 CURJGZLGPXEVOG-HNNXBMFYSA-N 361.435 7.294 0 1 FKAF Cc1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587699263 RZUFISDIQBFBPR-BMLIUANNSA-N 368.677 5.174 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCC3(CC2)CC3)N1 587823652 QTSDYKVIGGYQJF-GTNSWQLSSA-N 352.291 5.134 0 1 FKAF CCOc1ccc(-c2nc(-c3ccc(SC)cc3)cs2)cc1OCC 587926242 WSANWPIGNKZERZ-UHFFFAOYSA-N 371.527 5.996 0 1 FKAF Cc1cccc(COc2ccc([C@H]3NCCc4cc(Cl)ccc43)cc2)c1 963381360 VZAXLOPVMHJOHF-HSZRJFAPSA-N 363.888 5.463 0 1 FKAF Nc1cccc(Cl)c1Oc1ccc(CNc2ccc(Cl)cc2)cc1 1857548179 CSBUGJYMOMQGFR-UHFFFAOYSA-N 359.256 5.980 0 1 FKAF C1=CCCNCCCNC[C@H]2[C@H]3CCCC[C@@H]3C=C[C@H]2C=CCCCCC1 2356337398 YMEPYIIXGBBSMO-ZKGSSEMHSA-N 370.625 5.631 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 2356396003 YEJNIBFGDXBKPG-BVLUCXKNSA-N 352.562 6.713 0 1 FKAF C[C@H](c1c[nH]c2ccccc12)c1c(-c2ccccc2)n(C)c2ccccc12 203451336 OBLBATHWGAJNQC-QGZVFWFLSA-N 350.465 6.478 0 3 FKAF CC(=O)c1c(O)cc(OC/C=C(\C)CCC=C(C)C)c2c1OC(C)(C)C=C2 29041981 DPMHJMPSIKBEBR-LFIBNONCSA-N 370.489 5.851 0 1 FKAF CC(C)(C)c1ccc(C(=O)Nc2ccc3nc4c(c(N)c3c2)CCCC4)cc1 45231405 PNNISCWOYXEBIB-UHFFFAOYSA-N 373.500 5.246 0 1 FKAF CC[C@H](NCc1coc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 72183979 HKSLFRLPYPOJBS-SFHVURJKSA-N 361.272 5.889 0 1 FKAF CCc1cnc(-c2cnc(N[C@@H](C)CC)nc2-c2ccc(F)cc2)s1 82164858 IWRDKZIOAFLBJM-LBPRGKRZSA-N 356.470 5.179 0 1 FKAF Cc1ccc(Nc2nnc(-c3ccc(OC(C)C)cc3)c3ccccc23)cc1 95593434 GBGCOVMYGLIIPK-UHFFFAOYSA-N 369.468 6.136 0 1 FKAF COC(=O)CCC/C=C\C[C@H]1C(=O)CC[C@@H]1c1ccc(C(C)(C)C)cc1 117760575 UXUGADWYAUSDOV-JZOYJOIISA-N 356.506 5.336 0 1 FKAF Cc1cccc(Nc2nc(-c3ccc(-c4c(C)noc4C)cc3)cs2)n1 143034756 VKUVNDRBCFDLIL-UHFFFAOYSA-N 362.458 5.529 0 1 FKAF O=C(Cc1ccc(-c2ccncc2)cc1)Nc1nc(-c2ccccc2)cs1 202643586 YLXBWBPZHOOGOX-UHFFFAOYSA-N 371.465 5.053 0 1 FKAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc([C@@H]4CCCCO4)cc3)cc12 219348034 GKPYSXKYDOSNMQ-IBGZPJMESA-N 355.821 5.428 0 1 FKAF Cc1ccc(-c2cnc(C3(NCc4cc5ccccc5[nH]4)CCCC3)[nH]2)cc1 473089856 MLPVEEUHZPMLTR-UHFFFAOYSA-N 370.500 5.426 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc5c[nH]nc45)nc13)-c1ccccc1C2=O 587096108 GYJBURMMQIFFHN-UHFFFAOYSA-N 361.404 5.298 0 1 FKAF C[C@@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccccc1C(F)(F)F 587098037 PDEKULHQAYKEOM-MRVPVSSYSA-N 359.178 6.040 0 1 FKAF Cc1cc(F)c2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2c1 587124663 KVNOAHYJEIFRRN-QPJJXVBHSA-N 352.356 5.793 0 1 FKAF CSc1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587227559 ZWKFVZPETIUYQR-MRXNPFEDSA-N 361.511 5.041 0 1 FKAF CCCCC/C=C\c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364524 CNQXWIPCKXBKBS-GHXNOFRVSA-N 371.480 7.250 0 1 FKAF COc1cccc(-c2c(C)c(-c3ccccc3)nc3c2oc2ccccc23)c1 587365708 OFMBRNZZVJVVIY-UHFFFAOYSA-N 365.432 6.632 0 1 FKAF CCCOc1ccc2ccccc2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440579 HEPAWCONPVLEED-KOSHJBKYSA-N 374.436 5.126 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3cc(O)ccc3c1)CC2=O 587477248 FDDKIPPGMUTEJG-HSZRJFAPSA-N 362.425 5.084 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1C1CCCCC1)CC2=O 587479452 IHDKIRJMHWFLFB-WMZHIEFXSA-N 356.506 5.819 0 1 FKAF Cc1ccc(C2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587525387 OXHPNNKHAXCONK-UHFFFAOYSA-N 360.497 5.936 0 1 FKAF Cc1ccccc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587534132 WAEXVMZCJGQYEZ-QHCPKHFHSA-N 358.437 5.840 0 1 FKAF Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587603864 RXJNBDUOYMEPDG-NZQKXSOJSA-N 360.409 5.020 0 1 FKAF CCc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2N2CCOCC2)cc1 587631390 AUROHWXUJQNODM-UHFFFAOYSA-N 358.844 5.026 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C)(C)[C@@H]1CC[C@@]2(C)C1 587819611 VMWPALSTKQDQDB-VMQKWGEKSA-N 366.318 5.164 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCCC3)CC2)N1 587820142 YIIVLDUXJHKDBO-CYBMUJFWSA-N 366.318 5.452 0 1 FKAF COc1cccc(C(=O)c2ccc(-c3nc4c(C)cc(C)cc4[nH]3)cc2)c1 587933011 TWZOKUGRBNQUBN-UHFFFAOYSA-N 356.425 5.086 0 1 FKAF CCOC(=O)c1cc(C)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1C 587945937 PQSUIQKKHTVUMB-LJQANCHMSA-N 369.436 5.236 0 1 FKAF C[C@@H]1CC=C(NNc2nc(-c3ccc(Br)cc3)cs2)CC1 958043813 AOBRVNNRGNIMLF-LLVKDONJSA-N 364.312 5.193 0 1 FKAF c1ccc(-c2cccc3c2[C@@]2(C[C@H]4CCCc5cccc2c54)NCC3)cc1 962674568 YAPCYBSONCKSNL-RLWLMLJZSA-N 351.493 5.567 0 1 FKAF C[C@H](Oc1ccccc1Cl)[C@@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963118937 XYFSCMDOVXDJRI-LFRPXUGBSA-N 359.872 5.182 0 1 FKAF Oc1ccc2c(c1)oc1c(-c3ccccc3)cc(-c3ccccc3O)nc12 1857763641 PXFPLBBZKMVTIC-UHFFFAOYSA-N 353.377 5.726 0 1 FKAF O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2c(c1)OCO2 1911581135 IJILPZQERXGIFK-UHFFFAOYSA-N 367.788 5.178 0 1 FKAF CNC[C@@H]1C[N@]1C[C@@]12CC3=C(C)CC[C@@]3([C@H](C)CC13CCCC3)C2(C)C 2356492092 WRAPTTSOOBLOEP-PKUXDDJKSA-N 356.598 5.003 0 1 FKAF CCCCCC=CCCCCCCCCCCc1cccc(O)c1C(=O)O 2356517696 QXBAIZZDGIOKAV-UHFFFAOYSA-N 374.565 7.280 0 1 FKAF Clc1ccc2oc([C@H](c3ccccc3)c3c[nH]c4ccccc34)cc2c1 2382230574 PXODDVYHXBJELT-HSZRJFAPSA-N 357.840 6.748 0 1 FKAF Clc1ccc2c(N3CCCCCC3)cc[n+](Cc3ccccc3)c2c1 2382237298 AAMAHPNVMMTQGY-UHFFFAOYSA-N 351.901 5.209 0 1 FKAF C[C@@H](c1ccc(C(C)(C)C)cc1)c1ccc2c(c1)Nc1ccccc1S2 2382252757 ISJSURWSVCCWGE-INIZCTEOSA-N 359.538 7.344 0 1 FKAF c1ccc(-c2oc3nccc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 14965360 BDRDZIHCMNAENW-IBGZPJMESA-N 370.452 5.753 0 1 FKAF FC(F)(F)c1ccc(-c2cc(Oc3ccc4ccccc4n3)ncn2)cc1 14974076 XTVGLEJJISKRJQ-UHFFFAOYSA-N 367.330 5.503 0 1 FKAF C[C@H](c1ccccc1)n1c2ccccc2c2c(=O)[nH]c(-c3ccccc3)nc21 26503851 UPQOPYSTTKIBAT-MRXNPFEDSA-N 365.436 5.154 0 1 FKAF CN(C)c1c(C(=O)c2ccccc2)sc2nc(-c3cccs3)ccc12 27096055 VHCKWFVOLHCKHM-UHFFFAOYSA-N 364.495 5.322 0 1 FKAF O=C(Nc1ccccc1)c1c(O)ccc2cc(-c3cccc(O)c3)ccc12 40918333 FVZSHQBEZKRURP-UHFFFAOYSA-N 355.393 5.170 0 1 FKAF Cc1ccc(C(=O)C[C@@H](Nc2ccc(F)c(F)c2)c2cccc(F)c2)cc1 49863766 CERYSTJXCNLSTB-OAQYLSRUSA-N 369.386 5.839 0 1 FKAF CC(C)=CCC/C(C)=C/CN1C(=O)[C@@]2(OCCC=C[C@@H]2C)c2ccccc21 66166213 BBKUPXVFOVUPDN-KRGXTRTISA-N 365.517 5.534 0 1 FKAF COc1cc(/C=C/c2cccc(/C=C/c3ccc(O)c(OC)c3)c2)ccc1O 84689371 YLNCTNFISONRPK-CDJQDVQCSA-N 374.436 5.456 0 1 FKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccccc1Cl 96940153 HQKHSDBLPHVITO-UHFFFAOYSA-N 360.840 6.397 0 1 FKAF CC[C@H]1CCCCCCc2c1oc(O)c([C@@H](c1ccccc1)C1CC1)c2=O 100712851 WNGUQXPUAIUOMO-JXFKEZNVSA-N 366.501 5.888 0 1 FKAF Nc1cnc(-c2ccc(C3CCC3)c(OCC3CCCCC3)c2F)cn1 212128483 QCQQUXRFXUKDHC-UHFFFAOYSA-N 355.457 5.092 0 1 FKAF CSc1cccc(N(C)C(=N)Nc2ccc(Cl)c3ncccc23)c1 299836503 NMLPWEQJGGILAV-UHFFFAOYSA-N 356.882 5.093 0 1 FKAF CC(C)=CCc1cc(/C=C/c2cc(O)cc(O)c2)cc(CC=C(C)C)c1O 299858545 DSEWUZWKAPKNNQ-BQYQJAHWSA-N 364.485 5.991 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cs2)o1 587016339 KFUZYKYSNDUMQT-UHFFFAOYSA-N 350.230 5.562 0 1 FKAF Cc1cc(F)c2[nH]c(-c3cccc(-n4nc(C)c(Cl)c4C)c3)nc2c1 587064853 IDWMAUMHRSZWQP-UHFFFAOYSA-N 354.816 5.133 0 1 FKAF Cc1cc(Cc2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)cc(C)n1 587097982 RIPUKIIBXKEYGH-UHFFFAOYSA-N 364.448 5.357 0 1 FKAF Cc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1F 587122943 OWDLJDXXLFJTAJ-UHFFFAOYSA-N 370.371 5.342 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cccc(Br)c2[nH]1 587170166 KZXSNMFUQFPSJS-JTQLQIEISA-N 365.271 5.360 0 1 FKAF COc1cccc(-c2cc(-c3ccc(C)cc3)nc3c2oc2ccccc23)c1 587366517 UWMNPDKAETWZMT-UHFFFAOYSA-N 365.432 6.632 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC(=O)C[C@H]32)c1 587367746 UHXOKFDJLLWNNE-KSSFIOAISA-N 369.420 5.275 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(F)(F)F)cc1)CC2=O 587464165 JWUGKUPPJDAIRF-LJQANCHMSA-N 364.363 5.244 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@](C)(c3ccccc3)C1)CC2=O 587484583 STGUBMOCIXFLQH-XZOQPEGZSA-N 350.458 5.191 0 1 FKAF CCOc1ccc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500011 LCKBTWGPPFYPLI-HXUWFJFHSA-N 356.849 5.324 0 1 FKAF Cc1ccc(-c2cnc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1C 587515222 METUTIBSQAUBFP-NRFANRHFSA-N 373.452 5.544 0 1 FKAF CCCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587601117 DTWGQTSGDVLCPA-REWPJTCUSA-N 360.409 5.048 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)F)cc2)N1 587717954 MTXIDGDRYGYICG-ABKXIKBNSA-N 370.212 5.149 0 1 FKAF CCc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587848616 OQXMFZWFGYOQJM-DYZYQPBXSA-N 368.315 5.010 0 1 FKAF COc1cccc([C@H](C)Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587930556 JSZTYGKXEWUASH-SNVBAGLBSA-N 368.786 5.590 0 1 FKAF CC(C)=CCC/C(C)=C/c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587969682 VDYBUWXKQWMMSK-YRNVUSSQSA-N 363.255 5.173 0 1 FKAF COc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)c(F)c1 653915966 LZZBUUKFPXPDKV-UHFFFAOYSA-N 351.402 5.277 0 1 FKAF O=C(O)CCCOc1ccc(-c2noc3ccccc23)c(Cl)c1Cl 1772584994 NJCQGRHXZXBTAZ-UHFFFAOYSA-N 366.200 5.045 0 1 FKAF C[C@H]([C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)CCC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356743703 YPQWFHQFYCBUGH-BXWBFYNBSA-N 371.653 6.766 0 1 FKAF COc1cc(C=Cc2ccccc2)c2c(c1)O[C@@H](c1ccccc1)CC2=O 2356782293 DNOQQUJHCNMRLL-JOCHJYFZSA-N 356.421 5.572 0 1 FKAF O=C1C[C@H](c2ccc(Br)cc2)c2c(ccc3ccccc23)N1 2481245 OXCAGTMRXFZULD-MRXNPFEDSA-N 352.231 5.076 0 1 FKAF aggregator CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCCC 4213801 QLTXZZHSWNEIAT-SFTDATJTSA-N 374.525 5.016 0 1 FKAF CC(=O)OC/C(C)=C\CC[C@]1(C)[C@@H](C(=O)O)CC2=CCCC(C)(C)[C@@]21C 13361084 MZJHIEFGBFMJBU-BAZRMSFTSA-N 362.510 5.140 0 1 FKAF Brc1ccc(SCc2cc(-c3ccccc3)ccn2)cc1 26287406 SZBSCMJJGHNUCD-UHFFFAOYSA-N 356.288 5.803 0 1 FKAF c1csc(-c2nc3cc4c(cc3nc2-c2cccs2)OCCCO4)c1 28467860 PIXKPDKSTVXGBX-UHFFFAOYSA-N 366.467 5.248 0 1 FKAF Cc1cc(CNC(C)(C)C)c(C)n1Nc1ccnc2cc(Cl)ccc12 40956849 GQRKHKQUENIFSI-UHFFFAOYSA-N 356.901 5.070 0 1 FKAF C[C@@H](Cc1ccccc1)NCCC1c2ccccc2CCc2ccccc21 45374191 XDNDLKMCEARGNF-FQEVSTJZSA-N 355.525 5.528 0 1 FKAF O[C@@H](CSc1ccccc1Cl)Cn1c2c(c3ccccc31)CCCC2 84729735 ANSZCQRIRIGXEN-OAHLLOKOSA-N 371.933 5.327 0 1 FKAF CCOc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1 95562130 KUZNJQDCWIJYLD-ZZXKWVIFSA-N 360.240 5.816 0 1 FKAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2ccncc2)s1 96935103 ZOJZTZJRYQWMLK-UHFFFAOYSA-N 364.257 5.761 0 1 FKAF O=C(CCCCCOc1ccc(OCc2ccccc2)cc1)C(F)(F)F 115388102 JIGXCADPDCZVFT-UHFFFAOYSA-N 366.379 5.336 0 1 FKAF C[C@H]1C[C@H]1c1cc(NC(=O)Nc2cccc(Cl)c2)n(-c2ccccc2)n1 204750061 RNOWZFOOKJOJKE-SUMWQHHRSA-N 366.852 5.293 0 1 FKAF FC(F)(F)c1cccc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023570 MMJWNCWHHACGDX-UHFFFAOYSA-N 351.378 5.434 0 1 FKAF Brc1ccnc2[nH]c(-c3cccc(-c4ccsc4)c3)nc12 587026351 UFPXUAYMXUDQNO-UHFFFAOYSA-N 356.248 5.116 0 1 FKAF CC(C)Oc1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587050164 OXJVGXFLTYPFTI-CHWSQXEVSA-N 361.272 5.928 0 1 FKAF Oc1ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c1 587050910 VOKWJJQYGIPAJQ-UHFFFAOYSA-N 370.839 6.409 0 1 FKAF Cc1onc(-c2nc3c(C)ccc(C)c3[nH]2)c1COc1ccccc1Cl 587063589 QFDUSZOQLMDBJV-UHFFFAOYSA-N 367.836 5.376 0 1 FKAF Cc1nc2cccc3c2c(c1Cc1ccc(F)cc1)-c1ccccc1C3=O 587103425 GQASTSBFQOWTLH-UHFFFAOYSA-N 353.396 5.485 0 1 FKAF COc1ccc(-c2ccc(-c3nc4ccc(F)c(F)c4[nH]3)c(F)c2)c(F)c1 587151378 HSPIQQLBPSMWKZ-UHFFFAOYSA-N 372.321 5.462 0 1 FKAF Fc1cc2c(C3CC3)c(-c3ccc(Br)cc3)[nH]c2cc1Cl 587628322 KGVPYEPINBPFKV-UHFFFAOYSA-N 364.645 6.267 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(Cl)c2)N1 587717578 LHRSEWFSQFWAIK-ZKANADHPSA-N 372.640 5.004 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)cc1 587934536 CLWCRBKOIPLFPP-UHFFFAOYSA-N 369.251 6.212 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(SC)cc3[nH]2)cc1 587938106 SFHRVSSFFCAAGV-OAQYLSRUSA-N 360.482 5.474 0 1 FKAF CCCCOc1cc2nc([C@H](CCC)C(C)C)[nH]c2cc1Br 587954569 AIEDMZWODWJLJQ-CYBMUJFWSA-N 367.331 6.044 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2)c2c(n1)-c1cccc(O)c1C2 1857551246 PNCJBVCPOQOONL-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF Cc1c(Oc2nccc3occc23)ccc(-c2cccc3nccn23)c1C 1857566297 IPTJFZCSYZIMSL-UHFFFAOYSA-N 355.397 5.552 0 1 FKAF O=C(CCCN1CC[C@]2(c3ccc(Cl)cc3)C[C@H]2C1)c1ccc(F)cc1 1857584507 NIYUXHADMUQBAS-PGRDOPGGSA-N 371.883 5.106 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356583103 JLMUUJZJXDLYNO-PAPGOJMGSA-N 368.605 6.695 0 1 FKAF CCC=CCC=CCC=CC=C[C@@H](O)CC=CCCCCCC(=O)OC 2356595299 ASDVBLDKFHDZRJ-JOCHJYFZSA-N 360.538 5.832 0 1 FKAF Cc1[nH]c(C)c(-c2ccc(Oc3ccc(Cl)cc3)cc2)c(=O)c1Cl 599757 XEDKOKRUQPFYIA-UHFFFAOYSA-N 360.240 5.758 0 1 FKAF CCCO[C@@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 3849603 MJCAQBZKCWIVPS-IOLGYRNBSA-N 374.565 5.353 0 1 FKAF biogenic Cc1cccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1C 13474648 ZVXGJXOOHDCIBO-UHFFFAOYSA-N 362.477 5.431 0 1 FKAF CCCN(CCC)C(=O)/C=C(\C)c1ccc(O[C@@H](C)c2ccccc2)cc1 13782686 OXDMRZSZHNMIHW-PKTISDMASA-N 365.517 5.879 0 1 FKAF C=CSCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947074 JOULMFUYVRNSJC-GKJHBJHPSA-N 356.531 5.254 0 1 FKAF CCCCc1nc2ccc(Cl)cc2c2nc(-c3ccc(Cl)cc3)nn12 27209628 BMPWLQYHGXNWJS-UHFFFAOYSA-N 371.271 5.594 0 1 FKAF Fc1ccc(C[C@H](Nc2nc3cc(F)c(F)cc3o2)c2ccccn2)cc1 28017297 LHUJWZKZQRJFRN-KRWDZBQOSA-N 369.346 5.036 0 1 FKAF Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)CNc2ccccc21 28237749 IXGVNFTTYVCYEI-QGZVFWFLSA-N 369.443 5.181 0 1 FKAF Cc1cc(-c2ccccc2)cn2c(CSCCc3ccccc3)cnc12 28877330 ALWRROYQVMHRBS-UHFFFAOYSA-N 358.510 5.786 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCN1C(=O)CCC1=O 45285363 SQSHBJWLWQSASB-DOFZRALJSA-N 371.565 6.281 0 1 FKAF FC(F)(F)c1ccccc1-c1ccc2nc(/C=C/C3CCCCC3)[nH]c2c1 68247378 UJDYXOAGLLGCSW-JLHYYAGUSA-N 370.418 6.842 0 1 FKAF COc1cc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)ccc1C 72110112 OWMWQYJSCGDQNJ-HSZRJFAPSA-N 353.506 5.333 0 1 FKAF COc1ccc(Oc2cc(N(C)Cc3ccccc3)ncn2)c2ccccc12 82067478 PECWWROSZHYJBS-UHFFFAOYSA-N 371.440 5.067 0 1 FKAF O=C(Oc1c(Cl)cc(Cl)cc1Cl)c1coc(-c2ccccc2)n1 95564273 UYCPPFCETSADCD-UHFFFAOYSA-N 368.603 5.521 0 1 FKAF O=C(O)c1[nH]c2ccccc2c1CCCOc1ccc(-c2ccccc2)cc1 95594723 NCQHPXUHYRBUCA-UHFFFAOYSA-N 371.436 5.545 0 1 FKAF CC[C@@H](C)CC[C@H](CC[C@@H](C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191719 OFIAQLKCCAODLR-WSOYEBOPSA-N 352.691 9.134 0 1 FKAF CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1 104032962 OXOHCHHBKPMDQY-NRFANRHFSA-N 365.473 5.289 0 1 FKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1cccs1)CCC3 113122759 SRFWHQMMBFVCKJ-CYBMUJFWSA-N 371.527 5.790 0 1 FKAF CCCc1cc(=O)oc2cc(OCC=C(C)C)c3c(c12)OC(C)(C)C=C3 169342061 CJBQDVOLCANCRA-UHFFFAOYSA-N 354.446 5.275 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](N)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 199613408 DZVCFRNVYAIZLW-JSIIKIRASA-N 350.550 5.445 0 1 FKAF Cc1cnc2[nH]c(-c3cc(Br)ccc3OCCC(C)C)nc2c1 586980823 AUDDEFHVBKMMJJ-UHFFFAOYSA-N 374.282 5.121 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc4c3CCC4)nc3ccc(O)c1c23 586990296 ASUVPAQOBLBDQO-UHFFFAOYSA-N 363.416 5.308 0 1 FKAF O=C(Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 587071481 LBKFHTSLHJIHAC-UHFFFAOYSA-N 373.161 5.314 0 1 FKAF COc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1C 587083187 JPMCQJVYJONFKC-UHFFFAOYSA-N 358.228 5.402 0 1 FKAF CCCc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)s1 587103046 VHCNLUYKFPENCZ-UHFFFAOYSA-N 369.489 6.436 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@@H]3c1cccnc1 587105726 GMKPQPSBAQHFMK-MRXNPFEDSA-N 362.432 5.309 0 1 FKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(F)cc2[nH]1 587121627 IDRTYDDSZSOMSR-UHFFFAOYSA-N 361.298 5.124 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587154713 HDUNHPNTFXWDNJ-FQEVSTJZSA-N 362.404 6.024 0 1 FKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cccc(Cl)c2[nH]1 587164199 XXWYLRHFBBPWDP-UHFFFAOYSA-N 350.780 5.253 0 1 FKAF Cc1c(-c2nc3ccc4ncccc4c3[nH]2)cc(-c2ccc(F)cc2)n1C 587166425 RWCJJGOZIZHNOL-UHFFFAOYSA-N 356.404 5.231 0 1 FKAF CC(C)(C)OC(=O)N[C@@H](c1nc2cccc(C(C)(C)C)c2[nH]1)C1CCCC1 587225945 NUVNEFIKEZXQBH-QGZVFWFLSA-N 371.525 5.616 0 1 FKAF N=c1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c2ccccc2[nH]1 587253812 LKXBVZNQBAECGM-UHFFFAOYSA-N 368.465 5.342 0 1 FKAF COc1cccc(-c2cc(-c3cnns3)nc3c2oc2ccccc23)c1 587366459 NIWADFWDDWVJGO-UHFFFAOYSA-N 359.410 5.175 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c(Cl)sc(Cl)c31)O2 587413184 NEZPQYUWVUPLJE-QGZVFWFLSA-N 368.285 5.143 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccccc2)C1(C)C 587486986 YDLUECDSVVQYKG-MBSDFSHPSA-N 350.458 5.262 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1Cc1ccccc1)CC2=O 587487227 ZPMDTKXRLBBBAI-MHECFPHRSA-N 364.485 5.482 0 1 FKAF O=C1C[C@H](c2cccc3[nH]cc(Cl)c23)Oc2c1ccc1c2CCCC1 587500462 PDKCBMFIKDUMAG-LJQANCHMSA-N 351.833 5.407 0 1 FKAF CC(C)[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587503787 GMHFIVQFDBEGHP-JOCHJYFZSA-N 354.877 5.736 0 1 FKAF CC(C)=CCC[C@@H](C)C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601764 HASALYPFBNNQBD-TYCQWZJGSA-N 366.457 5.495 0 1 FKAF Cc1cc(Cl)cc2c(CC(=O)O)c(-c3ccc(Cl)c(F)c3)[nH]c12 587624975 XTHPTYJMPMOJGB-UHFFFAOYSA-N 352.192 5.216 0 1 FKAF O=C(c1ccccc1O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(F)ccc12 587632917 NREKHAPTUJJTPX-UHFFFAOYSA-N 365.791 5.564 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(C3CC3)c2c1 587638257 DRNUIGVMIXMODL-CYBMUJFWSA-N 368.318 6.988 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Cl)cc2)N1 587695688 CPEYRVXPIMZTIA-BTDLBPIBSA-N 368.677 5.039 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2Cl)N1 587731419 LVEXAECHMUVYRL-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(C)C3(C)C)N1 587819641 WFUHHOGLPLTXBI-GMBROJJHSA-N 366.318 5.164 0 1 FKAF O=C(O)c1cc(F)cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587949932 NZRUXFJHDCENOD-ZHACJKMWSA-N 374.371 5.363 0 1 FKAF CC(C)=CCC[C@](C)(/C=C/c1ccc(O)cc1)/C=C/c1cccc(F)c1 653717544 QCUCSIUWFGJBDH-UMCURPRCSA-N 350.477 7.011 0 1 FKAF Oc1ccccc1-c1cc(-c2cccc(Cl)c2)c2c(n1)-c1ccccc1C2 653735668 MTBMSGZGPKFKII-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF Cc1c([C@@H]2NCCc3cccc(Cl)c32)c(C)n(Cc2ccccc2)c1C 963392214 YSDZNUKOHQCNLQ-QHCPKHFHSA-N 364.920 5.350 0 1 FKAF Clc1ccc2nc(N3CCc4c([nH]c5ccc(Cl)cc45)C3)oc2c1 1857553268 BOKKUPNKDXHKOG-UHFFFAOYSA-N 358.228 5.179 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(Cl)c3)cc(-c3ccccc3)n2)c1 1857564804 QHRXGTQFMZSQCP-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3O)c3oc4cc(O)ccc4c3n2)cc1 1857640344 LHVZMLLHQYTBMK-UHFFFAOYSA-N 369.376 5.432 0 1 FKAF CCCCCCSc1cc(Cl)c(C(=O)CC[N@@]2C[C@@H]2C)c(Cl)c1 1857742110 ITMOHGDZMKMQRY-ZSEKCTLFSA-N 374.377 5.943 0 1 FKAF Nc1ccc2c(c1)C(Cc1ccc(C(F)(F)F)cc1)c1cc(N)ccc1-2 2382222421 FYLWUXHLHOSUPE-UHFFFAOYSA-N 354.375 5.225 0 1 FKAF CCCN(CCC)C(=O)Cc1c(-c2cccc(Cl)c2)[nH]c2ccccc12 606189 IQCAEPRFTVJTSV-UHFFFAOYSA-N 368.908 5.679 0 1 FKAF CNCC[C@H](Oc1cccc2ccccc12)c1cccc(Br)c1 13588061 UKLJVQPVIADCAE-IBGZPJMESA-N 370.290 5.332 0 1 FKAF CC[C@@H]1CC=C[C@H]2[C@@H](c3cc(C)ccc3F)N(Cc3ccccc3)C(=O)[C@H]12 13830139 CCRXMTHZKHHYRR-NNLJWKLDSA-N 363.476 5.436 0 1 FKAF OCc1ccc2oc(N[C@H](CC3CCCCC3)c3ccccc3)nc2c1 28009233 DAKZVKRRBHDDEB-LJQANCHMSA-N 350.462 5.444 0 1 FKAF O=C1C[C@H](c2ccccc2)c2c(ccc3cc(-c4cccc(O)c4)ccc23)O1 29135479 RIEYLHIEPSCOIB-JOCHJYFZSA-N 366.416 5.653 0 1 FKAF CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3c(Cl)cccc32)CC1(C)C 58508524 NXUBPNABLKWHGY-ICSRJNTNSA-N 372.915 5.082 0 1 FKAF CCCCCn1c(CCC)nc2c(NCCCc3ccccc3)ncnc21 82180052 VKFJUYWBFCIYNC-UHFFFAOYSA-N 365.525 5.014 0 1 FKAF CCCCNCCCCCCCCCCCOc1ccc(C(=O)O)cc1 169344835 PSMKOGAMBRUQSV-UHFFFAOYSA-N 363.542 5.664 0 1 FKAF COc1ccccc1[C@H]1Nc2cc(C)ccc2N=C2CC(C)(C)CC(=O)[C@H]21 169722120 LJYJLZQYZZZOOL-FCHUYYIVSA-N 362.473 5.248 0 1 FKAF Cc1cc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2cc1Br 308431902 FFZPZTJCAUEAMJ-UHFFFAOYSA-N 355.157 5.320 0 1 FKAF Cc1c(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)oc2c1[C@H](O)CCC2 586904925 DJRAFDCWKFYSPY-GOSISDBHSA-N 360.413 5.293 0 1 FKAF CCCCCCOc1ccc(Br)cc1-c1nc2cnccc2[nH]1 586980924 BMGIJCNKURPSTQ-UHFFFAOYSA-N 374.282 5.347 0 1 FKAF Oc1ccc2scc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2c1 587032037 FTMOYILGKCQEKZ-UHFFFAOYSA-N 350.321 5.049 0 1 FKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587051844 UJEQCQNVNLVXBC-ZIAGYGMSSA-N 357.284 6.020 0 1 FKAF CCc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1O 587100719 FRMQWENDLGQEKJ-UHFFFAOYSA-N 365.432 5.690 0 1 FKAF Fc1cc(Br)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1 587111431 CRDUTLYVJDRWQT-UHFFFAOYSA-N 359.120 5.150 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC2(CC2)C3)c1 587367756 UIJGDKHCFAFVDS-UHFFFAOYSA-N 355.437 5.926 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)cc(C(C)(C)C)c1)CC2=O 587491375 UPVDIRFCGONNEC-HXUWFJFHSA-N 354.446 5.054 0 1 FKAF CCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CC 587520434 BJLFBIXTQXLFOL-QHCPKHFHSA-N 364.485 5.623 0 1 FKAF CCO[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCCCC2 587523940 MIRHFHDBQDCWEV-REWPJTCUSA-N 354.490 5.029 0 1 FKAF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587695440 NRCDVXBPDXUSPF-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF CC/C=C/CCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817493 CPPGGYVVUCDNLB-ROHVMALMSA-N 368.334 6.080 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2ccccc2)cs1 587871835 CZBBFIZWVLATGN-UHFFFAOYSA-N 365.433 5.201 0 1 FKAF Fc1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1Cl 962712275 QUIFQMBVEMLDQE-YJYMSZOUSA-N 365.876 5.071 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cc3cc(O)ccc3s2)N1 962956525 YIPWKKGYVSJFMK-FPTDNZKUSA-N 362.498 5.276 0 1 FKAF CC1(C)CC(C)(C)c2cc(NC(=S)Nc3ccc(O)cc3)ccc2S1 1857619692 VNXDYBUXORUNJM-UHFFFAOYSA-N 372.559 5.753 0 1 FKAF CCC=CCC=CCC=CC=C[C@@H](O)CC=CCC=CCCC(=O)OC 2356307463 YBCMQRFOERCWAV-JOCHJYFZSA-N 358.522 5.608 0 1 FKAF CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@]2(C)[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@H]31 2356481412 PQZMZRVBJLKEFN-SPPGSNFDSA-N 368.517 5.436 0 1 FKAF Cc1ccc(C)n1[C@H]1C(=O)N(Cc2ccc(C(C)C)cc2)c2ccccc21 206028141 QKUHFEBVKNHFIJ-HSZRJFAPSA-N 358.485 5.365 0 3 FKAF C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2C(c3cc(O)cc(O)c3)=CCC[C@]12C 3960768 ZVXVVEZHAFMBBV-DQAOFOOOSA-N 372.549 5.885 0 1 FKAF C[C@@H]1C=C(CCCCCCCCCCCCC2=C[C@@H](C)OC2=O)C(=O)O1 13358987 NBNKOPMYYYWKOW-QZTJIDSGSA-N 362.510 5.411 0 1 FKAF biogenic CN(C)C[C@H]1C[C@H]2c3ccccc3Cc3ccc(-c4ccccc4)cc3N2O1 13437220 RUWZQSJWDUNAEU-RDGATRHJSA-N 370.496 5.071 0 1 FKAF COc1cccc2c1[nH]c1c3c(c(C)cc12)O[C@](C)(CCC=C(C)C)C=C3 14585290 PCARJFWVFUEFLY-XMMPIXPASA-N 361.485 6.549 0 1 FKAF biogenic c1ccc(N[C@@]23CCC[C@@H]2CC(c2ccccc2)=C3c2ccccc2)cc1 14978562 CJJHTYXGIYNACX-GJZUVCINSA-N 351.493 6.652 0 1 FKAF CCCCCCn1cc(CC(N)=O)c2cc(-c3cccc(F)c3)ccc21 28888185 XXSGPYYHXPZJDP-UHFFFAOYSA-N 352.453 5.056 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 33820755 WIYCLWGXUJWTBW-UPVUKQMHSA-N 374.565 5.715 0 1 FKAF CC[C@@H](C)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801284 DAXMFHJYAYLAJM-AFIVKIBZSA-N 373.581 5.081 0 1 FKAF CSc1nc(-c2ccnc(NCCC(C)C)c2)c(-c2ccc(F)cc2)[nH]1 40933945 UTFWSNFONAULOH-UHFFFAOYSA-N 370.497 5.458 0 1 FKAF COc1cc([C@@H]2Nc3ccccc3-n3c2cc2c(C)cccc23)ccc1O 71416572 KZALGVCOWZRFCI-QHCPKHFHSA-N 356.425 5.168 0 1 FKAF O=C(c1cn(CC2CCOCC2)c2ccccc12)C12C[C@@H]3CC1C[C@H](C3)C2 101301685 WBROYFRREDXBEY-BBFQFKIHSA-N 363.501 5.077 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2cccc(Br)c2)CCC1 104081668 RYDHOUJCRBHBMC-LJQANCHMSA-N 369.262 5.684 0 1 FKAF CN(c1ccccc1)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 143412779 KZQIULSJWDDSCT-HXUWFJFHSA-N 355.359 5.233 0 1 FKAF CCCC[C@H](Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OCC 169321143 LWBAZNWEBYRPHO-SFHVURJKSA-N 364.526 5.488 0 1 FKAF CC(C)=CC/C=C(\C)[C@H]1C/C=C(\CO)CC/C=C(/C)CC/C=C(\C)CC1 238760876 SCIBCHJAENBOSA-ZSUBVCRISA-N 356.594 7.461 0 1 FKAF CC(C)=CCC/C(C)=C\Cc1cccc(-c2coc3cc(O)ccc3c2=O)c1 238789890 IIBWPPRAVZEHEB-ZDLGFXPLSA-N 374.480 6.401 0 1 FKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C3CCC3)[nH]c12 586883476 DHJNLFQIOYNJJU-UHFFFAOYSA-N 359.351 5.102 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnc(Cl)cc4[nH]3)c21 587031240 PTCZOUYTBPSTCW-LLVKDONJSA-N 368.893 5.570 0 1 FKAF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc(C)c1F 587104291 RYVBZOZOKHHFOT-UHFFFAOYSA-N 353.396 5.869 0 1 FKAF Fc1cc(F)c2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2c1 587125916 VPKDNHCJFOIVBQ-ZZXKWVIFSA-N 356.319 5.623 0 1 FKAF FC(F)Oc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587130339 IEKVXVKRLKPVBS-UHFFFAOYSA-N 368.408 5.983 0 1 FKAF FC(F)Oc1ccc(-c2cc3c4c(cccc4n2)CC3)c(OC(F)F)c1 587210902 YURGZQCSLFXRKM-UHFFFAOYSA-N 363.310 5.203 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](C[C@@H]1CCCc3ccccc31)CC2=O 587476767 AWNOWHOBJQHMJF-IRXDYDNUSA-N 350.458 5.189 0 1 FKAF O=C1C[C@H](c2ccc(F)c(Cl)c2Cl)Oc2c1ccc1c2CCCC1 587503594 HUILHKCTCDKVHX-MRXNPFEDSA-N 365.231 5.718 0 1 FKAF CC(C)[C@H]1CCc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527964 XYUAETPXYLZZRJ-PXDATVDWSA-N 360.497 5.645 0 1 FKAF COc1ccc(C2(c3nc4cccc(C(C)(C)C)c4[nH]3)CC3(CCC3)C2)cc1 587934590 DSQRJUCLFHMLDZ-UHFFFAOYSA-N 374.528 6.119 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2ccc(Cl)cc2[nH]1 587957170 RMISZSRIRWCZSF-UHFFFAOYSA-N 364.917 6.135 0 1 FKAF Oc1cccc(-c2cc(-c3ccsc3)cc(-c3cccc(Cl)c3)n2)c1 653723502 BCWIMWBROBYHAI-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cncc(-c3ccccc3)c2)N1 962940600 DAGDTTIXHAUEKB-XXBNENTESA-N 353.469 5.244 0 1 FKAF C[C@H]1C[C@@H](C(=O)Nc2nc3ccc(OC(F)F)cc3s2)CC(C)(C)C1 1857764613 ZBYCNBYEYWRADI-WDEREUQCSA-N 368.449 5.299 0 1 FKAF CSc1ccc(CN(C)C(=O)C(c2ccccc2)c2ccccc2)cc1 6558264 HVDLYQCDNAEBPX-UHFFFAOYSA-N 361.510 5.199 0 3 FKAF CCCCC/C=C/c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](CO)C[C@@H]21 13758804 NJIKRWBGUIYKJM-OKMMTOMJSA-N 358.522 5.649 0 1 FKAF CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C(=O)O 14974976 FQKJPPKBZYSFOV-UHFFFAOYSA-N 357.450 5.373 0 1 FKAF CCOC(=O)c1ccc(/C(F)=C(C)\C=C\C2=C(C)CCCC2(C)C)cc1 28755958 RRQVIKFHAPNHIX-QZCQDJIRSA-N 356.481 6.647 0 1 FKAF COc1c(C)cnc(CSc2nc3cc(C(C)(C)C)ccc3[nH]2)c1C 29477537 XMKCSGOHIPXTOY-UHFFFAOYSA-N 355.507 5.173 0 1 FKAF CC[C@@H]1[C@@H]2[C@H]3Cc4ccc(OC)cc4[C@]2(CC[C@H]1C)CCN3CC1CCC1 40690435 GBDVUTUHHVNACT-PHRSOMKHSA-N 367.577 5.436 0 1 FKAF CCCCCCSc1ccc(C(=O)CCN2C[C@H]2C)c(Cl)c1Cl 43076418 APGLOJXHKLCBCF-ILRUXTBWSA-N 374.377 5.943 0 1 FKAF O=C(Nc1ccc(-c2nccc3c2[nH]c2ccccc23)cc1)c1ccco1 84669878 JSCCBFJVAXJMMB-UHFFFAOYSA-N 353.381 5.228 0 1 FKAF O[C@@H](CCN1CC=C(Cc2ccccc2)CC1)c1csc2ccccc12 84756887 QXCOEFGWAUGVTR-QFIPXVFZSA-N 363.526 5.200 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H]3CCc4cocc4[C@]3(C)[C@@H](O)C[C@H]21 85721595 UDGNYLDZHGKWLT-MHOWYWHWSA-N 370.577 6.113 0 1 FKAF biogenic O=C(O)C[C@@H](CC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 95579093 BYKAVKUMZQFYHJ-LJQANCHMSA-N 360.409 5.310 0 1 FKAF CC(=O)n1cc(CN2CCC(c3c[nH]c4ccccc34)CC2)c2ccccc21 473082060 FYQCDJPJPXOERJ-UHFFFAOYSA-N 371.484 5.162 0 1 FKAF c1ccc(Sc2ccc3nc([C@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 586892699 VOGRINJVFJSZJW-YZQOHXRLSA-N 360.526 6.182 0 1 FKAF c1ccc(Oc2ccc3nc(CCc4cc5ccccc5o4)[nH]c3c2)cc1 586906658 DWVRQRVHYDCXHH-UHFFFAOYSA-N 354.409 5.887 0 1 FKAF Cc1cc2nc(COc3ccc(Br)cc3C)[nH]c2cc1Cl 586980762 FQTKFXKJHHKQEX-UHFFFAOYSA-N 365.658 5.175 0 1 FKAF Cc1cccc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c12 586983328 YWEYPWUGGWMLTH-MRXNPFEDSA-N 371.322 6.006 0 1 FKAF Cc1cc(Cl)cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587065188 VLCUFAMPCGOHIL-UHFFFAOYSA-N 373.239 6.017 0 1 FKAF Clc1ccc(CC/C(=C/c2nc3cnncc3[nH]2)c2ccccc2)cc1 587073042 DMJOCCOIQBZVDF-ATVHPVEESA-N 360.848 5.180 0 1 FKAF C[C@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccccc1C(F)(F)F 587098892 YSAOTEDMQDGLGQ-ZETCQYMHSA-N 360.166 5.435 0 1 FKAF Fc1cc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1-c1ccccc1 587146001 ZMLQIBQAIQSILI-UHFFFAOYSA-N 370.349 5.979 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC=C(c1ccccc1)C3 587206314 CNULQVNBWWTTEY-UHFFFAOYSA-N 359.428 5.628 0 1 FKAF CC[C@]12CC[C@H](C[C@@]13Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1)C2 587355650 VVDNMMVZSCIHGC-OBDSQGLNSA-N 366.432 5.229 0 1 FKAF COc1cccc(-c2c(C)c(C3CCOCC3)nc3c2oc2ccccc23)c1 587366281 NRFIVKRIHGVNRK-UHFFFAOYSA-N 373.452 5.859 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccc(O)cc3)c1)CC2=O 587484329 SWAZXDXVWCWKHJ-HSZRJFAPSA-N 374.436 5.424 0 1 FKAF O=C1C[C@@H](c2cncc(-c3ccccc3)c2)Oc2c1ccc1c2CCCC1 587516038 TXGLQFOJQDCDJZ-QHCPKHFHSA-N 355.437 5.334 0 1 FKAF CCCCC(CCCC)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587819304 LQNCAHBEKZBGJN-YJYMSZOUSA-N 370.350 6.160 0 1 FKAF CCc1cc(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587819705 MPLKDMFMEXZNJK-HXPMCKFVSA-N 362.286 5.083 0 1 FKAF CC(C)(C)c1ccc(OCc2nc(-c3cccc(Cl)c3)cs2)cc1 587920893 QBPDYQQJVPAGGC-UHFFFAOYSA-N 357.906 6.340 0 1 FKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3cncnc3)n2)cc1 587922629 GDVBTLAEMJLHTH-UHFFFAOYSA-N 372.428 5.555 0 1 FKAF COc1cccc(C2(c3nc4c(Cl)c(Cl)cnc4[nH]3)CCCC2)c1 587930802 KPUQRWAHVUDPCR-UHFFFAOYSA-N 362.260 5.133 0 1 FKAF c1ccc(Oc2ccccc2-c2cn3c(-c4ccncc4)cnc3cn2)cc1 653767416 LUMKEQKANASLKY-UHFFFAOYSA-N 364.408 5.251 0 1 FKAF CCOCc1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)ccc1OC 962658215 CLBZMAHKVLRGIS-RUZDIDTESA-N 373.496 5.134 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2C)(C2CCCCC2)N1 962953301 QPVVARURJDGVRT-RXFWQSSRSA-N 372.556 6.225 0 1 FKAF Cc1cc(-c2cnc(N)c(-c3cccc(C(F)(F)F)c3)c2)cc(C)c1O 1857595321 LKFKDWYIYPAZOZ-UHFFFAOYSA-N 358.363 5.339 0 1 FKAF CC(=O)OC[C@@H]1CCO[C@]2(C)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2CC1 2356445256 ZQSXEOHDZPOEDT-PLJZGSKRSA-N 350.543 5.368 0 1 FKAF CC1=CCC[C@]2(C)CC[C@H](C(C)C)[C@@H](OC(=O)C=Cc3ccc(O)cc3)[C@H]12 2356535836 KKYIBEYOWUAQME-GNLZIIPMSA-N 368.517 5.746 0 1 FKAF O=C(O)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1Cc1ccccc1 15769803 SNPJLBVDOSAXPI-UHFFFAOYSA-O 366.440 5.055 0 3 FKAF C[C@@H]1CCCN1CCc1cc2cc(-c3cccc(C(C)(C)O)c3)ccc2o1 13606773 CIPPJHOVCBGSOP-QGZVFWFLSA-N 363.501 5.354 0 1 FKAF O=C(O)c1ccc(/C=C/c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 13745077 RSLQVUINGFHONZ-OWOJBTEDSA-N 374.480 5.729 0 1 FKAF Cc1ccc(CN2Cc3nc4ccccc4c(-c4ccccc4)c3C2=O)cc1 13862476 PAGVJDPJIKIPFF-UHFFFAOYSA-N 364.448 5.366 0 1 FKAF CCCCC[C@H]1C[C@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1CCCC(=O)O 25991027 VOEQWJRVRYMVGK-UGCIQDCYSA-N 360.582 6.536 0 1 FKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4)cc3)c12 28885073 XHSJLIVIOWHYQO-UHFFFAOYSA-N 356.429 5.038 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 33820841 ZKGCEXPUCJDWMB-YNIOQRCUSA-N 374.565 5.715 0 1 FKAF biogenic CC(C)c1cc(C(C)C)n(C[C@H](OC(=O)Nc2ccccc2)C(C)C)n1 45497594 HUNIRXLMLOJUDC-FQEVSTJZSA-N 357.498 5.403 0 1 FKAF CCCOC(=O)c1c(C)coc1-c1ccc2c(CC)cccc2c1OC 66102704 OSRKHSULMDKRPM-UHFFFAOYSA-N 352.430 5.546 0 1 FKAF O=C1/C(=C\c2ccco2)c2ccccc2N1c1c(Cl)cccc1Cl 98085786 QWBVGQSWIOWZLL-KAMYIIQDSA-N 356.208 5.805 0 1 FKAF C/C(=C\CCc1ccoc1)CC/C=C(\C)CC[C@@H](O)[C@]1(C)CCC(=O)O1 139035098 CQHXGGUREVDGGK-FVLJBRRTSA-N 360.494 5.122 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3O)nc3c2COc2ccccc2-3)cc1 473122320 ROZOZLIIZCNQKB-UHFFFAOYSA-N 367.404 5.386 0 1 FKAF CC(C)(C)[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586989821 FPUVNODWQRJEDC-MRXNPFEDSA-N 357.453 5.618 0 1 FKAF CC1=C(C)O[C@](C)(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC1 586991696 PELHWPVXQQWQKC-DEOSSOPVSA-N 371.436 5.471 0 1 FKAF FC(F)(F)Sc1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587016890 PJSALTMSMWCDEK-GFCCVEGCSA-N 371.409 5.150 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccnc(O)c2[nH]1 587072636 SVEJJBDPSNPUIB-PGAZBKHESA-N 374.271 5.336 0 1 FKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(cnc3ccccc32)[nH]1 587075391 CNAHKROAWQUHKY-UHFFFAOYSA-N 372.815 5.199 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2n1 587083388 RBDRRKCHCZMGHA-UHFFFAOYSA-N 371.271 5.777 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(Cl)cc1CC3 587103764 LCTIBQVYLSSUFE-UHFFFAOYSA-N 367.835 5.865 0 1 FKAF CCOc1cc(/C=C/c2nc3cc(C)cc(F)c3[nH]2)ccc1OC(F)F 587130111 KCRYMJQJSMIZQW-FNORWQNLSA-N 362.351 5.181 0 1 FKAF Nc1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccc1F 587140030 FQGXQQMELFIIEA-UHFFFAOYSA-N 360.417 5.228 0 1 FKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc3ccccc3cc2[nH]1 587149220 IMJVUKSYBXRYAP-QHCPKHFHSA-N 367.427 6.057 0 1 FKAF COc1cccc(-c2cc(CCn3cccn3)nc3c2oc2ccccc23)c1 587362157 CYCKGMWANLYBQV-UHFFFAOYSA-N 369.424 5.096 0 1 FKAF COc1cccc(-c2cc(Cn3ccc(C)n3)nc3c2oc2ccccc23)c1 587362973 KLIDGDNHDOXXGX-UHFFFAOYSA-N 369.424 5.210 0 1 FKAF CCCCCCc1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366624 XNAZLRORNUWLOP-UHFFFAOYSA-N 373.496 7.088 0 1 FKAF CC[C@@H](C)Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl 587420355 IGOCHRXFTLAARG-GKABBXAVSA-N 372.848 5.015 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCCC3)s1)CC2=O 587496431 XSZNVGGHZXOUMK-GOSISDBHSA-N 371.502 5.103 0 1 FKAF CCC[C@H](c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604763 YBXWVXCLCYFSHP-NYQDVAGCSA-N 374.436 5.306 0 1 FKAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccc(F)cc2)cc1 587630893 SKNXLBLANGAXKU-UHFFFAOYSA-N 353.799 6.742 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)N(C)Cc3cccc(Cl)c3)c2c1 587639776 CNFCLHPENZFPLJ-CQSZACIVSA-N 368.908 5.915 0 1 FKAF CCc1cccc(C)c1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660197 OXHFZDKAINDVIA-UHFFFAOYSA-N 358.416 5.063 0 1 FKAF Cc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Cl 587691957 FJLHVAZYNZQQJU-BMLIUANNSA-N 368.677 5.174 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)c1 587932383 DLXXHYHXVXYVQH-UHFFFAOYSA-N 368.795 5.404 0 1 FKAF C[C@H]1CCCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)C1 653710283 OCWSSCWGTSXWQU-IBGZPJMESA-N 362.517 5.727 0 1 FKAF CCCCCCNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2)c1 653738975 FQVSKPHJHSJQMD-INIZCTEOSA-N 369.461 5.210 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)([C@@H](C)Oc2ccc(F)cc2F)N1 962957190 NXMSREDFCKKVSO-DZKLMBRESA-N 370.443 5.053 0 1 FKAF CCC=CCC=CCC=CCC=CCC=CCCCCCCC(=O)OC 2356320340 ZJEGPKOJFMVILW-UHFFFAOYSA-N 358.566 7.251 0 1 FKAF CC[C@@H](Cc1ccccc1)c1cc(O)c([C@H](CC)c2ccccc2)c(=O)o1 13738635 HALPINAQGOXQAN-AZUAARDMSA-N 362.469 5.624 0 1 FKAF FC(F)(F)c1ccc(-c2cc(Oc3cc4ccccc4cn3)ncn2)cc1 14974073 FTAYTJSMHFHNFH-UHFFFAOYSA-N 367.330 5.503 0 1 FKAF CCOCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O 28219071 UNXUBRFNKVHFJZ-UHFFFAOYSA-N 360.837 5.236 0 1 FKAF CCOC(=O)c1ccc(/C=C(C)/C=C/[C@]23C[C@@]2(C)CCCC3(C)C)cc1 28235803 FUVXBSOHMHZVTE-BAGIBQDUSA-N 352.518 6.429 0 1 FKAF Cc1c(OCc2ccccc2)ccnc1CSc1nc2ccccc2[nH]1 29479342 CBJKYLJGMOXMHK-UHFFFAOYSA-N 361.470 5.138 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)(C)C1 33825629 RTKUCVAYNSXMMS-IRXDYDNUSA-N 370.577 7.457 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1)[C@@H](SC1CCCCC1)n1ccnc1 45357242 AIFQXDRBVDUMGY-RTBURBONSA-N 364.942 5.879 0 1 FKAF Cc1cncc(C2=CC[C@H]3[C@@H]4CC[C@H]5CCOCC[C@]5(C)[C@H]4CC[C@]23C)c1 169208928 NWEHUYRHAUYHKV-ABVATSDPSA-N 365.561 6.053 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCCCO 231934355 KFUGLIFIBPAGFC-AVHBIOJASA-N 361.570 5.631 0 1 FKAF CCCc1cc(OC)c(Oc2ccc(CCC)c(OC)c2O)c(OC)c1 238742299 WZEALJAJARVLER-UHFFFAOYSA-N 360.450 5.115 0 1 FKAF OCc1ccccc1-c1cccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 586895118 PNXWQXHUCPFNRO-UHFFFAOYSA-N 368.358 5.408 0 1 FKAF CCCC(Br)(CCC)c1nc2ccc3nc(C)ccc3c2[nH]1 586971549 UIYHHVNVNMUBQV-UHFFFAOYSA-N 360.299 5.610 0 1 FKAF Cc1ccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2c1C 587014573 NKFWJHYWKRLQMD-UHFFFAOYSA-N 353.878 5.932 0 1 FKAF Cc1nc(COc2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)cs1 587020289 LTNFQBLWYSMCBD-UHFFFAOYSA-N 371.465 5.727 0 1 FKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)o2)c1 587050312 HXVJXXTXUQBZJZ-UHFFFAOYSA-N 373.195 5.525 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587068893 FNPYJECNMRHLJK-GFCCVEGCSA-N 355.869 5.285 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@@H](c1ccccc1)C4)-c1ccccc1C2=O 587100362 HVTTVPFWJUNTLN-KRWDZBQOSA-N 361.444 5.637 0 1 FKAF FC(F)(F)c1cncc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587115196 HRGXRYWOMCTMAA-UHFFFAOYSA-N 369.346 5.223 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(C)c(C)c4[nH]3)ccc2F)cc1 587139830 ZMBXCMRYMOSKOG-UHFFFAOYSA-N 358.416 5.855 0 1 FKAF Cc1cc(F)c2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc2c1 587163860 MDBAPTSXUCPTTQ-RVDMUPIBSA-N 352.409 5.800 0 1 FKAF Cc1c(Br)cc2nc([C@H](C)Oc3ccc(F)cc3)[nH]c2c1C 587168367 HBGUXYDREXYIFZ-NSHDSACASA-N 363.230 5.221 0 1 FKAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587233632 RXLJGRMOYUYPGM-JOYOIKCWSA-N 370.280 5.031 0 1 FKAF Cc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587354144 NAGCMQDODZPHDX-JTHBVZDNSA-N 362.400 5.114 0 1 FKAF CC(C)C[C@H](C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357894 WMBYXXHVYXLEQM-XFEAKLGESA-N 370.464 5.721 0 1 FKAF COc1cccc(-c2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587402640 FSWABVZZJFHNGN-XMMPIXPASA-N 373.452 5.133 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1c1ccc(C)cc1)CC2=O 587481662 NHQMIAVRGRTHAV-AUSIDOKSSA-N 350.458 5.325 0 1 FKAF O=C1C[C@H](c2cc(Cl)cc(Cl)c2O)Oc2c1ccc1c2CCCC1 587498077 LXNRILVOHIMQAA-QGZVFWFLSA-N 363.240 5.284 0 1 FKAF C[C@@]1(c2cccc(OC(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501310 BCPPXNOZNFHSDB-NRFANRHFSA-N 358.384 5.047 0 1 FKAF CC[C@@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587510620 WLUBXXDUZHUIAE-NRFANRHFSA-N 374.402 5.855 0 1 FKAF CC1=C(C)C[C@](C)([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587601191 FRVRGJIPASTHGD-WWPVKYPJSA-N 364.441 5.249 0 1 FKAF Fc1ccc2[nH]c(C(F)(F)F)c(-c3nc4ccccc4[nH]3)c2c1Cl 587630043 PERBKWFZDTVXEA-UHFFFAOYSA-N 353.706 5.523 0 1 FKAF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587696712 RFXIFZTUBKYOMV-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C)c2ccc(F)cc2)N1 587737477 XSOYDPFGOSIMTE-YRUZYCQGSA-N 366.249 5.106 0 1 FKAF CCCC[C@H](CC)C[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821740 XHTHZVBCJUJFSX-HEHGZKQESA-N 356.323 5.770 0 1 FKAF COc1cccc([C@@H](C)Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587931951 PPQJDJZYCUOWLA-JTQLQIEISA-N 352.331 5.076 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4ccc5ncccc5c4[nH]3)ccc2c1 587933928 AKCZOJIQTZRBPD-CQSZACIVSA-N 353.425 5.425 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(Br)c(O)c2[nH]1 587950819 NWUPXYYDXPMHIL-WDMOLILDSA-N 367.287 5.077 0 1 FKAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C(C)(C)C)cc4[nH]1)(C3)C2 587951754 ZXEMGAYVDGUVOO-IWENEADUSA-N 366.505 5.014 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2c(Cl)ccnc2[nH]1 587957144 QVZHYSFNAXPFCV-UHFFFAOYSA-N 365.905 5.530 0 1 FKAF CC[C@@]1(Cc2nc3cc(Cl)c(F)cc3[nH]2)CC(=O)c2ccccc2C1 587961791 UPHXCGSVWLBJKV-FQEVSTJZSA-N 356.828 5.123 0 1 FKAF COc1ccc2c(c1)nnn2-c1ccc(-c2nc3ccccc3s2)cc1C 653895814 ZDNXCJSWIIXYHA-UHFFFAOYSA-N 372.453 5.014 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(F)cc3)nc3c2Cc2ccc(O)cc2-3)c1 1857580560 HCAXBOHJGGLIFH-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF Cc1c(CN2CCC[C@@H](O)C2)cc(-c2ccc(C(C)C)cc2)n1C(C)C 1857655557 BZDRMHVGYDHUDE-JOCHJYFZSA-N 354.538 5.125 0 1 FKAF CC1=C[C@H](CNC2CCC2)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356287345 HILXSGUSLUJUQM-ZVDOUQERSA-N 365.565 5.411 0 1 FKAF CC(C)=C[C@@H](C)CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12 2356350744 JBZAHTJTVMZHDQ-MRXNPFEDSA-N 352.430 5.857 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356453882 PISAKMAGVQHRRZ-AYQNXORPSA-N 370.621 6.775 0 1 FKAF CC(C)=CCCC(C)=CCC[C@]1(C)CC(=O)c2cc(C(=O)O)ccc2O1 2356737848 WGCDLRCGHUQPCD-JOCHJYFZSA-N 356.462 5.582 0 1 FKAF Cc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cccc(O)c2n1 584800 DEVJTOGYUBPZFN-UHFFFAOYSA-N 374.419 5.294 0 1 FKAF CS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccc(F)cc2)cc1 13477345 QQNWTSVELIVSMY-UHFFFAOYSA-N 365.429 5.045 0 1 FKAF COc1ccc(-c2ccc(-c3cc(=O)oc4cc(C)cc(C)c34)cc2)cc1 13814831 PBIVYZZRPBHGKH-UHFFFAOYSA-N 356.421 5.752 0 1 FKAF aggregator Fc1ccc(-c2[nH]c(-c3ccc(-n4ccnc4)cc3)c3c2CCCC3)cc1 13835372 RULFVHVCCYMYFH-UHFFFAOYSA-N 357.432 5.552 0 1 FKAF CCN(CC)CC[C@@H]1C(c2ccccc2)=NN(C)[C@@H]1c1ccc(Cl)cc1 28520236 KATLIWHBKOOPTD-IFMALSPDSA-N 369.940 5.079 0 1 FKAF Cc1ccccc1NC(=S)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 28709436 KQQQJIZAYKTKAI-JOCHJYFZSA-N 371.509 5.543 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@H](CN(C)C)C[C@@H]21 28769920 ZXKGLKKHBVMHIF-IPMKNSEASA-N 359.554 5.357 0 1 FKAF CCCCCn1cc(C(=O)c2cccc3ccccc23)c(=O)c2ccccc21 28864769 YNNGWUSUIOJCIL-UHFFFAOYSA-N 369.464 5.576 0 1 FKAF CC(C)C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCc1ccccc1 45302805 ZLNMKQBBPWXNSJ-JOCHJYFZSA-N 360.501 5.273 0 1 FKAF Cc1c(C)n(C[C@H](O)CSc2ccc3ccccc3c2)c2ccccc12 84688780 RBHHWWYJQITZNT-FQEVSTJZSA-N 361.510 5.565 0 1 FKAF CCOC(=O)C1=CN(Cc2ccccc2)C=C[C@H]1c1cccc2ccccc12 95580710 DFHKWPRRMVWJOI-QHCPKHFHSA-N 369.464 5.400 0 1 FKAF CC(C)=CCC/C(C)=C/C(=O)NCCCCCCCCCCCCN 95581227 UBFOUUNYDUKYIU-XUTLUUPISA-N 350.591 5.655 0 1 FKAF S=c1[nH]c2c(c(=S)[nH]1)[C@H](c1ccccc1)c1ccc3ccccc3c1O2 103290835 XNVMBVJNYWEIFC-MRXNPFEDSA-N 374.490 6.241 0 1 FKAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 136042616 BKWBRNDZAJHCMT-YVDCXIKPSA-N 370.621 6.775 0 1 FKAF CSc1ccc(NC(=O)N[C@H]2CC[C@@H](Oc3ccc(F)cc3)CC2)cc1 165839905 LYPNHZJGZASWJS-RZDIXWSQSA-N 374.481 5.059 0 1 FKAF CC(C)=CCC/C(C)=C\CN1C(=O)[C@@]2(C[C@@H](C)C[C@@H](C)O2)c2ccccc21 169333335 FCLSDSXDBAGLFT-HYBXBIOUSA-N 367.533 5.756 0 1 FKAF CC/C=C\CCSC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169728564 YDJGESKTURUXSO-YHVNRCSTSA-N 352.540 5.071 0 1 FKAF CN(C)c1ccc([C@@H](C[C@@H](N=O)c2ccc(F)cc2)c2ccccc2)cc1 169730264 VKAHDPXFBMNEJM-XZOQPEGZSA-N 362.448 5.921 0 1 FKAF O=C1[C@]2(CCC[C@]13C[C@@H]3c1ccc(Cl)cc1)C[C@@H]2c1ccc(Cl)cc1 203697053 IJLAVLPQDXPNGS-UGESXGAOSA-N 371.307 6.394 0 1 FKAF Oc1c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc2c1CCCC2 586898983 VCZAJVQNHABSFW-UHFFFAOYSA-N 366.770 5.487 0 1 FKAF Cc1ccc2c3c(cc(-c4ncc(F)cc4F)nc13)-c1ccccc1C2=O 586995974 OHLAQERVWGJWAR-UHFFFAOYSA-N 358.347 5.095 0 1 FKAF Cc1cc(Br)c2[nH]c(CSCc3ccsc3)nc2c1 587024894 CEJDRVFCRZCHLU-UHFFFAOYSA-N 353.310 5.129 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C)c(F)cc2[nH]1 587044527 IFBXIHOZBNTOOX-UHFFFAOYSA-N 355.196 5.001 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(OC)c(Cl)cc2[nH]1 587062586 VUVJGXSYQPHURR-AWEZNQCLSA-N 351.233 5.408 0 1 FKAF C[C@@H](Oc1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106531 LCNLFSDEBBVDSI-OAHLLOKOSA-N 351.405 5.586 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1F 587153362 YXLOEVSDSUPKSG-QWRGUYRKSA-N 354.278 5.011 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(SC)cc2[nH]1 587240170 GSHWHISEAIATFD-UHFFFAOYSA-N 361.470 5.704 0 1 FKAF Nc1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c2ccccc2c1 587251599 KARMWSMEHGOUJM-UHFFFAOYSA-N 351.409 5.758 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC(=O)C[C@@H]32)c1 587367742 UHXOKFDJLLWNNE-KBXCAEBGSA-N 369.420 5.275 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3cccc(Cl)c3)n1)O2 587411075 ATXBZGJQBRFQJH-QGZVFWFLSA-N 370.861 5.061 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)cc1)CC2=O 587463665 CDJHNOZXGBJUKM-QGZVFWFLSA-N 350.336 5.070 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([C@H](CC)OC)cc1)CC2=O 587482932 KUKQWLYYAKEFEG-JTHBVZDNSA-N 368.473 5.323 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1C)(C(C)(C)C)CC2=O 587488730 LQGIIXDTDOFAQH-HSZRJFAPSA-N 352.474 5.560 0 1 FKAF COc1ccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 587526361 SOIAXHGUZXPSLC-HSZRJFAPSA-N 358.437 5.434 0 1 FKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(C)(C)C 587528114 ZSFGSMKKHUEZPH-JOCHJYFZSA-N 364.485 5.578 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@](O)(c1ccccc1)C(F)(F)F 587624519 NWBFRQPGQVBMCB-QGZVFWFLSA-N 353.771 5.236 0 1 FKAF Fc1ccc2[nH]c(-c3ccccc3)c(Cc3ccccc3Cl)c2c1Cl 587627716 AAYFEFPFEMXQLG-UHFFFAOYSA-N 370.254 6.872 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cnn(CC)c3)c(C(=O)C(F)(F)F)c2c1 587639781 CPLYXWSTWWETSB-LLVKDONJSA-N 363.383 5.310 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccs3)c2c1 587640197 GFBZOCSOECWVSM-JTQLQIEISA-N 351.393 5.993 0 1 FKAF Cc1ccc(-c2csc(-c3ccc(C(N)=S)c4ccccc34)n2)cc1C 587920047 BLVXGWYXOFFOCG-UHFFFAOYSA-N 374.534 5.881 0 1 FKAF COc1cccc([C@H](C)Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587931960 PPQJDJZYCUOWLA-SNVBAGLBSA-N 352.331 5.076 0 1 FKAF COc1cc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)ccc1C 653775418 UIGVFIQQBPDRCD-HXUWFJFHSA-N 359.473 5.259 0 1 FKAF CCCC/C=C\CCCCCCCCc1cc(C(=O)OC)c(N)s1 1772593475 NAWUITOQAFRNHX-SREVYHEPSA-N 351.556 6.137 0 1 FKAF FC(F)(F)C(F)(F)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 1857587448 RAYKWHODURJAJP-UHFFFAOYSA-N 364.317 5.979 0 1 FKAF Cc1sc(-c2cccc(Cl)c2)nc1OCCCN1CCCCC1 1857768216 SVGGDGRRTPQRQA-UHFFFAOYSA-N 350.915 5.027 0 1 FKAF CC(C)C=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356495018 BKWBRNDZAJHCMT-MJHCCXMASA-N 370.621 6.775 0 1 FKAF CCCCCC=CCC=CCCCCCCCCCc1cc(O)cc(O)c1 2356551749 QEMSHYYBCNAAQA-UHFFFAOYSA-N 372.593 7.844 0 1 FKAF CN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCc2ccccc2)CC1 1489495 WYDMGCGGXMHGSJ-UHFFFAOYSA-N 357.925 5.035 0 1 FKAF C[C@@H]1CCCN1CCc1cc2cc(-c3cccc(C(=O)C4CC4)c3)ccc2o1 13606781 BQTMIBGMCRVQPU-QGZVFWFLSA-N 373.496 5.719 0 1 FKAF O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccccc1 13704383 CLRHXKFCVHAEFI-UHFFFAOYSA-N 373.843 5.445 0 1 FKAF CC(=O)OCCCCCCCCCCCCCCCCCCCC(=O)O 14449695 GPANAUSFGYALCH-UHFFFAOYSA-N 370.574 6.656 0 1 FKAF biogenic COc1ccc2c(c1)Oc1ccccc1[C@@H]2SCCN1CCCCC1 25966868 PQDNFVVQGHZJES-NRFANRHFSA-N 355.503 5.109 0 1 FKAF Cc1cccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)c1 28572599 KGVVWWXTGNZBAX-UHFFFAOYSA-N 362.436 5.897 0 1 FKAF in-vivo CCCc1cccc2cc(-c3ccc(-c4ccc(C(=O)O)s4)[nH]3)sc12 29467757 DSSGYIQRPQEYQV-UHFFFAOYSA-N 367.495 6.276 0 1 FKAF Cc1cccc2[nH]c(-c3cccc(-c4cccc(CNC(C)C)c4)c3)nc12 45193162 BQTFBWWLNLOTNB-UHFFFAOYSA-N 355.485 5.703 0 1 FKAF CCCCO[C@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1ccnc1 45358369 ILUASSXYQOEHHS-QZTJIDSGSA-N 366.958 6.125 0 1 FKAF CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)C[C@@H]1c1ccsc1 62225219 HWMVECSQTJCMEI-GOSISDBHSA-N 369.534 5.338 0 1 FKAF CC(=O)c1c(O)cc2c(c1O)CC[C@](C)(CC/C=C(\C)CCC=C(C)C)O2 64527699 QWVMONRXGJYWDK-MVLVPLOLSA-N 372.505 5.857 0 1 FKAF CC[C@H](C)Nc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2C)n1 82177587 SEEWAYBPJDKGCI-HNNXBMFYSA-N 374.513 5.939 0 1 FKAF CCCCC[C@@H](/C=C\C=C/C/C=C\C/C=C\CCCC(=O)O)OC(C)=O 84559405 AGAAOHXFBRGCFM-UYHPJLSASA-N 362.510 5.758 0 1 FKAF CCCCCc1cc2c3c(coc3c1C(=O)O)[C@@H](CCC(C)=O)C(C)(C)O2 141358999 WEYZBZCYDDIMCS-MRXNPFEDSA-N 372.461 5.488 0 1 FKAF CCCc1cc(=O)oc2cc(Nc3ccccc3)c3c(c12)OC(C)(C)C=C3 169342077 VRWKIOOLPZVANF-UHFFFAOYSA-N 361.441 5.673 0 1 FKAF COc1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccc(F)cc2)c1 218325515 NXJPIUKYIXFKBP-QFIPXVFZSA-N 374.415 5.352 0 1 FKAF COc1ccccc1CCC1CCN(CCc2ccccc2Cl)CC1 218834384 XMHDNFXCRCRDGN-UHFFFAOYSA-N 357.925 5.236 0 1 FKAF COc1ccc(-c2c(C)c3ccccc3o/c2=N/Nc2ccccc2)cc1 299840980 XCYUHFZLFGPDNC-WJTDDFOZSA-N 356.425 5.345 0 1 FKAF CSc1nnc(-c2ccc3[nH]cc(-c4cnc5ccccc5c4)c3c2)s1 299870072 VUMJPTVXDFKVCI-UHFFFAOYSA-N 374.494 5.624 0 1 FKAF COc1ccc(-c2nc3ccccn3c2-c2nc3cc(Cl)ccc3[nH]2)cc1 473152705 VNPAJPPBETXHQH-UHFFFAOYSA-N 374.831 5.207 0 1 FKAF O[C@@H]1C[C@@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)c2ccccc21 586904440 UAWPWTZHLFWKIJ-WIYYLYMNSA-N 358.466 5.283 0 1 FKAF CC(C)(C)c1cccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587005078 MBHBVKGXSKFBDT-UHFFFAOYSA-N 364.674 5.338 0 1 FKAF Oc1cccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587049176 HYFNRHMLFOEALD-UHFFFAOYSA-N 370.839 6.409 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cccc(C(C)(C)C)c2[nH]1 587073715 KLQQDNPDLARFLE-UHFFFAOYSA-N 374.915 7.156 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C1CCCC1)CC4)-c1ccccc1C2=O 587100673 ODDXSFHKKMDXBR-MRXNPFEDSA-N 353.465 5.975 0 1 FKAF Fc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1F 587150814 SZVRXDOIWMTWNH-LJQANCHMSA-N 353.347 5.182 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](C3CC3)C2)[C@H]1c1ccc(F)cc1 587349564 GGOHYOJSIHHOQR-HNKPZJSLSA-N 366.432 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c3c(Cl)cccc3c1C)CC2=O 587462367 PWXFQVAUUQASRE-SFHVURJKSA-N 369.848 5.494 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccccc3)o1)CC2=O 587482036 OEXYTCYJMSVZOJ-FQEVSTJZSA-N 364.397 5.437 0 1 FKAF O=C1C[C@]2(CCc3cc(Cl)c(Cl)cc32)Oc2c1ccc1c2CCCC1 587501508 OQEMDBAONBAOMZ-NRFANRHFSA-N 373.279 5.679 0 1 FKAF Cc1cccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)[nH]c12 587808300 YDJIEVVNRUJKCN-JEOXALJRSA-N 373.269 5.002 0 1 FKAF CCCCC/C=C/[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814433 HTFMVUCJKARQIS-QALYVOOFSA-N 354.307 5.474 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)c1 587931186 GBKGWVNOHPUOIO-UHFFFAOYSA-N 367.408 5.159 0 1 FKAF Cc1c([C@@H]2NCCc3c(Cl)cc(Cl)cc32)[nH]c2ccc(Cl)cc12 963111504 OKPAUJYAPDHFIM-GOSISDBHSA-N 365.691 5.672 0 1 FKAF CC(=CCCc1ccoc1)CCC=C(C)CC[C@@H](O)[C@]1(C)CCC(=O)O1 2356725293 CQHXGGUREVDGGK-IRLDBZIGSA-N 360.494 5.122 0 1 FKAF Clc1ccccc1C1=NN(c2ccccc2)[C@H]2c3ccccc3OC[C@@H]12 5823911 QXZYQONISJXTPA-AVRDEDQJSA-N 360.844 5.314 0 1 FKAF COc1ccc(/C=C/c2ccccc2NC(=O)c2ccc(OC)cc2)cc1 13557959 PHYQIGWONAWQSN-JXMROGBWSA-N 359.425 5.127 0 1 FKAF CC(C)=CCC/C(=C/CC/C(C)=C/Cc1cc(O)ccc1C(=O)O)C(=O)O 14824672 ZIBPKEYCKPFKCN-LNCUELKESA-N 372.461 5.117 0 1 FKAF CNCCCCCC[C@H]1C(c2ccc(O)cc2)=C(C)c2cc(O)ccc21 26636988 OZAVHSUUQARRLQ-OAQYLSRUSA-N 351.490 5.296 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C([C@@H](O)CC)C[C@@H]21 27628775 HSVJVWLJEGYGAC-QRVBRYPASA-N 358.522 5.487 0 1 FKAF Cc1c(-c2ccc(-c3cccnc3)cc2)nc2ccc(F)cc2c1C(=O)O 29336492 GKWOCDQQLIRDEU-UHFFFAOYSA-N 358.372 5.110 0 1 FKAF CC(C)(C)c1ccc(CN(Cc2cccc3ccccc23)n2ccnc2)cc1 32063983 SFAZLOXGYONEBN-UHFFFAOYSA-N 369.512 5.672 0 1 FKAF S=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1 42921112 VCYFZTRYFXEQSM-UHFFFAOYSA-N 366.438 6.146 0 1 FKAF CCCCCCC(C)(C)c1cc(N)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 45389294 XCSQASXDTQFUHI-WOJBJXKFSA-N 369.593 7.128 0 1 FKAF O=C1c2cc(Cl)ccc2Oc2ccccc2C12CCN(CC1CC1)CC2 60051800 MKMOXJNSSHPPJV-UHFFFAOYSA-N 367.876 5.072 0 1 FKAF O[C@@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1cccnc1 72185907 VUWPAFFNDUOCHC-GOSISDBHSA-N 363.766 5.038 0 1 FKAF C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@H](N=O)CC[C@@H]4[C@H]3CC[C@@]21CC 78410772 SHUKQGIGCAITKX-BWTXDCIASA-N 369.505 5.019 0 1 FKAF CCOc1ccccc1CNc1cc(Oc2cccc3ccccc23)ncn1 82068335 BRFXLNZMRLZHBI-UHFFFAOYSA-N 371.440 5.433 0 1 FKAF CCn1s/c(=N/c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 103190209 WCAUFZLOTXFAQX-KNTRCKAVSA-N 350.274 5.171 0 1 FKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccccc1)CCC3 113123142 QCPYELZVIGYJGN-MRXNPFEDSA-N 365.498 5.729 0 1 FKAF COc1cccc([C@H]2CC(=O)[C@@H]3Sc4cc(Cl)ccc4N=C3C2)c1 169715423 GTYBBGOQUBWUGY-CWTRNNRKSA-N 357.862 5.042 0 1 FKAF CC1=C[C@@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)CC[C@H](C(C)C)[C@@]2(O)CC1 238755512 ZJMCLZQHFRSWIZ-OUGOUTLESA-N 368.517 5.155 0 1 FKAF CCCCC[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@H]1C[C@H]1CCCC(=O)O 253634881 VOEQWJRVRYMVGK-OSERSWIASA-N 360.582 6.536 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)CC1 586879955 JOPPBFPHWUWGNT-QAQDUYKDSA-N 350.481 6.833 0 1 FKAF Cc1nn(-c2cccc(-c3nc4c(C)ccc(C)c4[nH]3)c2)c(C)c1Cl 587065288 NJMASKFAOMPZKU-UHFFFAOYSA-N 350.853 5.303 0 1 FKAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)n1 587081190 XDENGHIVLFYCLA-ZETCQYMHSA-N 360.742 5.209 0 1 FKAF FC(F)(F)CSc1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)ccn1 587092814 HFVCCCVYJFQECP-UHFFFAOYSA-N 363.408 5.158 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H](CCC(=O)O)CCC4)-c1ccccc1C2=O 587101960 XXPBEUKDPUIJOJ-AWEZNQCLSA-N 371.436 5.039 0 1 FKAF CO[C@@H](C)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587108336 ZXOVLUCUNWWTMC-HNNXBMFYSA-N 365.432 5.821 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587170609 RJCAFYUIHPZXDE-SNVBAGLBSA-N 354.372 5.617 0 1 FKAF CCCCC/C=C/c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364525 CNQXWIPCKXBKBS-KPKJPENVSA-N 371.480 7.250 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(OC(F)F)ccc3ccccc13)O2 587382195 KBCBIDIWFUAUOA-GOSISDBHSA-N 369.367 5.038 0 1 FKAF CC(C)(C)c1ccc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587507613 RNIIANQFGGUZIU-OAQYLSRUSA-N 368.904 6.223 0 1 FKAF CCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 587629570 CBNUSTVMDAHYOK-UHFFFAOYSA-N 357.734 6.088 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C3CCOCC3)c(-c3ccc(F)cc3)c2c1 587642453 NVAMKJYVFAMFGH-HNNXBMFYSA-N 351.465 6.382 0 1 FKAF Cc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)c(Br)c1 587920288 HGCUBUJSRBIVTN-UHFFFAOYSA-N 364.695 6.201 0 1 FKAF CC(C)(C)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587949619 JAOLUUXQTUJQEP-SSZFMOIBSA-N 368.480 6.823 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587954628 CNYAELQSAMSLLL-UHFFFAOYSA-N 352.787 5.869 0 1 FKAF CC(C)(CCCOc1ccc(/C=C/c2ccccc2)cc1Cl)C(=O)O 653757820 IGQGPKWYEJHLAU-MDZDMXLPSA-N 358.865 5.780 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccsc1Br 963225715 FVIDEWIISOARCZ-MLGOLLRUSA-N 350.325 5.257 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1ccc(O[C@H](C)CC)c(OC)c1 963241157 LYOPRGVRYTUJLJ-QZTZHPFYSA-N 367.533 5.619 0 1 FKAF CO[C@H](C1CCCCC1)[C@H](C)C=CCC(=O)OCCCc1ccccc1 1857623340 WFDPQRQYLWKFNQ-XXBNENTESA-N 358.522 5.340 0 1 FKAF Cc1ccc(-c2ccc3c(C(=O)Nc4cccc(F)c4)cc(O)nc3c2)cc1 1857629498 HZVMSIWCQNYZCA-UHFFFAOYSA-N 372.399 5.307 0 1 FKAF CC1=CCOc2ccc3c(c2)OC(=O)[C@H]2[C@H]3[C@H](CCC(C)=CCC1)C2(C)C 1857632483 YMOYOBVTCMAAET-KSEOMHKRSA-N 366.501 5.807 0 1 FKAF CCCCCCOc1ccc(C(=O)CC[N@]2C[C@H]2C)c(Cl)c1Cl 1857742128 QPYPZIGCECYCFX-LRTDBIEQSA-N 358.309 5.229 0 1 FKAF COc1cccc([C@](C)(O)c2nc(-c3cccc(C(C)C)c3)cs2)c1 61930497 BBDSOEGCNZOTKX-NRFANRHFSA-N 353.487 5.198 0 3 FKAF Nc1c2c(nc3ccccc13)CCC[C@@H]2N1CCC(c2ccccc2)CC1 3802289 PGVCHVAHRSNQMJ-QFIPXVFZSA-N 357.501 5.074 0 1 FKAF CC(C)(C)NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 13153437 WKJWFESSCHFAQW-YUXJCULASA-N 374.528 5.511 0 1 FKAF CCC/C=C/C[C@H](O)CCCCCCCCCCCCCCCCCO 14722109 JYZDOSWMZPZDMV-KSSKOCNRSA-N 368.646 7.328 0 1 FKAF endogenous,in-man Fc1cccc(Cl)c1-c1nc2c([nH]1)-c1ccccc1Cc1ccccc1-2 29135796 RWLWEBQHVIRZHT-UHFFFAOYSA-N 360.819 6.107 0 1 FKAF O=C(Nc1cccc(Oc2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2 84622331 WOEJSSGULUPUME-UHFFFAOYSA-N 362.473 5.569 0 1 FKAF c1ccc2c(c1)Sc1cnc3ccccc3c1N2CCN1CCCCC1 98082841 RYZNSCDPERUSMN-UHFFFAOYSA-N 361.514 5.323 0 1 FKAF CC[C@H](C)CCC[C@](C)(CCCC(C)C)[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 102191770 FHBMTRKEZPTTIQ-ZLFMQQKDSA-N 350.675 8.744 0 1 FKAF C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)C1=O 169717842 CKHNVMICQILYMB-WNSKOXEYSA-N 366.526 5.431 0 1 FKAF Fc1ccc(-c2csc3c(-c4cncc5ccccc45)cccc23)cc1 205214083 LPIOHVJUGLRIDD-UHFFFAOYSA-N 355.437 6.923 0 1 FKAF C/C(Cl)=C/CN1CC[C@@]2(c3ccccc3)c3cc(O)ccc3C[C@H]1[C@H]2C 221661028 PYBFPILFWVWSMG-SPORKEANSA-N 367.920 5.087 0 1 FKAF Cc1cc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2cc1Cl 587066232 KUWCSGDMJHMIGI-UHFFFAOYSA-N 356.256 5.944 0 1 FKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3ccccc3cc2[nH]1)C(C)(C)C 587203327 FOVATJXMSKGFIS-GOSISDBHSA-N 367.493 5.198 0 1 FKAF Cc1cc(F)c2[nH]c(-c3cc4ccccc4cc3NC(=O)C(C)C)nc2c1 587247845 UZONHBMPKDMLDZ-UHFFFAOYSA-N 361.420 5.425 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc3ccc(Cl)cc13)CC2=O 587460344 HHPZPBIEURNOBR-HXUWFJFHSA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1SC(C)(C)C)CC2=O 587493194 RCLNUMGLHLNAHT-IBGZPJMESA-N 370.514 5.942 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3ccccc3s1)CC2=O 587494441 KBOGWGCRHAQSLU-NRFANRHFSA-N 352.455 5.440 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C)Sc2ccccc21 587496138 RUMFETKCNKTFSA-YEJXKQKISA-N 354.471 5.090 0 1 FKAF O=C1C[C@@]2(CCc3cc(Cl)ccc3C2)Oc2c1ccc1c2CCCC1 587501419 OHDCBUGGXLONHF-QFIPXVFZSA-N 352.861 5.112 0 1 FKAF Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587502398 KTWZNZNQXVICPW-IBGZPJMESA-N 371.274 5.343 0 1 FKAF C[C@H]1CCc2c(F)cccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587510056 UNJDRXYMMQIUHE-PSLXWICFSA-N 350.433 5.148 0 1 FKAF Cc1cc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587600589 BJGXNHRBDRRVQE-XUZZJYLKSA-N 374.436 5.194 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1[C@H]1CCCN1C(=O)OC(C)(C)C 587631404 BAZNWIHUCFGSAY-OAHLLOKOSA-N 352.837 5.341 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(OCC(F)(F)F)c2c1 587642648 UGWUCYVBVOLQJN-CQSZACIVSA-N 361.407 6.598 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587951499 MPCAIIYGYVUHEH-JTQLQIEISA-N 358.228 5.558 0 1 FKAF c1ccc(C[C@H](c2ccccc2)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587954880 BTUQFIVSVADPDZ-JOCHJYFZSA-N 352.481 5.816 0 1 FKAF CCSc1cccc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961321388 JKKFECKLHRBWMD-GOSISDBHSA-N 374.347 5.329 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1C1(CCC(N)=S)CCCCC1 963232344 RLGNYHITTUPUIZ-UWJYYQICSA-N 358.595 5.401 0 1 FKAF CN1CCc2c(Br)cccc2[C@@H]1Cc1ccc(C(C)(C)C)cc1 963279324 HEDDJQHBBVOBOY-FQEVSTJZSA-N 372.350 5.518 0 1 FKAF C/C=C1/[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 1772605306 RZHXZHWJIBCTAW-BNCOMVNMSA-N 371.609 5.411 0 1 FKAF COc1ccc(-c2cc(COCc3ccccc3)c3cc(C)ccc3n2)cc1 1857560674 IINCZFBVSZDONU-UHFFFAOYSA-N 369.464 5.936 0 1 FKAF Cn1ccc2cc(-c3cn4c(-c5ccc(Cl)cc5)cnc4cn3)ccc21 1857609281 OTAZIDFUCBFNDJ-UHFFFAOYSA-N 358.832 5.208 0 1 FKAF O=C(NC1CCCCC1)c1cccc2c(-c3ccc(F)c(F)c3)coc12 61908249 ADNJRSCXEWRMRM-UHFFFAOYSA-N 355.384 5.441 0 3 FKAF Clc1ccc([C@@H](c2c[nH]cc2-c2ccccc2)n2ccnc2)c(Cl)c1 5974749 KXSPLCMPGAOMPO-FQEVSTJZSA-N 368.267 5.823 0 1 FKAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2c2ncc(-c4ccccc4)o2)N3C)cc1 26663722 GUXROWKWRXBXAG-FBPBVXOASA-N 358.485 5.384 0 1 FKAF CCC(=O)C(CC/C(=C/CCc1ccc(OC)c(OC)c1)CC)C(=O)CC 34075045 FVYKAELGRBCZNZ-LICLKQGHSA-N 374.521 5.327 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc12 40936904 YEKKMADDWOJWLC-UHFFFAOYSA-N 365.816 5.524 0 1 FKAF O=C1CCCC[C@H]1[C@@H](Nc1cccc2ccccc12)c1cc2ccccc2o1 66262112 HGKWHIVQQLOUTG-CJFMBICVSA-N 369.464 6.499 0 1 FKAF CCCCN(CC)C1=CC(C)=N[C@H]2[C@@H]1C(C)=CN2c1c(C)cc(C)cc1C 100058218 OXBSTIROOYKZJO-ISKFKSNPSA-N 365.565 5.758 0 1 FKAF O=C1NC(=O)/C(=C/c2cccc(OCCC3CCCCC3)c2Cl)S1 144308163 ZOMBFYLBDYIMSF-PTNGSMBKSA-N 365.882 5.013 0 1 FKAF CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 152858757 WIVPAKVRSDHFJL-SJFQOWQBSA-N 360.538 5.166 0 1 FKAF c1ccc(COc2cccc3nc([C@@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c23)cc1 586885962 XYIKFWWJPRGCGF-YBJWPOLQSA-N 358.485 5.610 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1 586964331 YAMFKKRRCBTODE-SNVBAGLBSA-N 365.271 5.459 0 1 FKAF Cc1cc(C)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 587015943 ZMWIADMDBDGMDP-UHFFFAOYSA-N 374.296 6.277 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587061725 IXKPWXCAZDDSLR-AWEZNQCLSA-N 372.749 5.904 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc4ccccc4cn3)nc3cccc1c23 587107246 QDJCHMFNQUUHJD-UHFFFAOYSA-N 358.400 5.661 0 1 FKAF Cc1cc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1C 587191806 NXOSPMBNCDJDBH-LJQANCHMSA-N 365.477 5.136 0 1 FKAF CC(C)(C)[C@H]1CCCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587207938 PARKIVODTRCQGK-HNNXBMFYSA-N 355.481 5.987 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccsc1)O2 587412060 GUCDYLFZCSVCGF-FQEVSTJZSA-N 369.873 5.201 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C)c(C)c1)(c1cccs1)O2 587413430 NXHGWXCBVOAIEF-QFIPXVFZSA-N 363.482 5.165 0 1 FKAF CCOc1cc(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C(C)C 587441183 JIHZPHWMGDNIGT-JPYJTQIMSA-N 366.457 5.014 0 1 FKAF O=C1C[C@]2(CCCC[C@@H]2C2=CCCCC2)Oc2c1ccc1c2CCCC1 587521801 DCMFQRYAVUSOFT-QPPBQGQZSA-N 350.502 5.960 0 1 FKAF Cc1ccc(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 587524735 MMMFMWGPULVWFF-RUZDIDTESA-N 368.476 6.247 0 1 FKAF CCCCOc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525286 UMADFLAXSWELOM-QFIPXVFZSA-N 350.458 5.451 0 1 FKAF CSc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587531252 GYKFZKKROANBAF-OAQYLSRUSA-N 372.917 5.821 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(F)cc(Br)c3)c(C)c2c1 587643534 VKUXFUVOPAIGNR-NSHDSACASA-N 360.270 6.558 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(OC(C)C)cc3[nH]2)c1 587779713 FBTQWIFHSNVVHS-UHFFFAOYSA-N 372.468 6.083 0 1 FKAF C=Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587816292 WAOXUHADPZUWMN-BUXKBTBVSA-N 360.270 5.029 0 1 FKAF COc1ccc(OC(C)(C)C)n1-c1cc(OC(C)C)c(Cl)cc1Cl 587943346 XLUDOYVPFQFNHZ-UHFFFAOYSA-N 372.292 5.757 0 1 FKAF CC(C)=CCC/C(C)=C/c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587967805 MSSHIYOJEKLZCM-DTQAZKPQSA-N 373.525 6.989 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(-c3ccc(O)cc3)s2)N1 962946321 LJFGGVVGQFHUIP-IQMFZBJNSA-N 374.509 5.616 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2oc3ccc(OC)cc3c2C)N1 962949236 DUCOKBQYOLVSRO-OWJWWREXSA-N 374.484 5.419 0 1 FKAF CC(C)c1ccc(Cn2c(-c3cscn3)nc3c(Cl)cccc32)cc1 1857606928 BUPKULDYAQHFAE-UHFFFAOYSA-N 367.905 5.985 0 1 FKAF CC(C)=C[C@H]1C[C@@](C)(C=Cc2ccc3cc[nH]c3c2)c2cc3cc[nH]c3cc21 2356682769 STKFDMFOGFXEHA-HFZDXXHNSA-N 366.508 7.074 0 1 FKAF CC(C)(C)c1cc(NC(=O)Nc2cc(F)cc(F)c2)n(-c2ccccc2)n1 2382240160 XQDFQDOYWBSCMP-UHFFFAOYSA-N 370.403 5.092 0 1 FKAF CCCCc1ccc([C@@H](C)c2ccc3c(c2)Nc2ccccc2S3)cc1 2382261661 GDXHJYUNUXZEHY-QGZVFWFLSA-N 359.538 7.389 0 1 FKAF CCCCC(=O)O[C@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 3977999 RSEPBGGWRJCQGY-KPUUQYQLSA-N 356.506 5.350 0 3 FKAF in-man O=C1[C@H]2[C@H](C=CC[C@H]2c2ccccc2)[C@H](c2ccoc2)N1Cc1ccccc1 103751398 KSYOIXDDZBOZLY-XQUALCHDSA-N 369.464 5.339 0 3 FKAF CCCC[C@H]1CCc2ccc(OCc3ccc4ccccc4n3)cc2[C@@H]1O 2001553 HAAKJHPJDSOUSI-YADARESESA-N 361.485 5.600 0 1 FKAF O=C(OCc1ccccc1)c1[nH]c2ccccc2c1Sc1ccccc1 13680293 MLSSAEMBGUJSDQ-UHFFFAOYSA-N 359.450 5.676 0 1 FKAF CC1=C(c2ccc(O)cc2)[C@@H](CCCCN2CCCC2)c2ccc(O)cc21 26577884 RPTJMEGQRQTAMZ-QFIPXVFZSA-N 363.501 5.392 0 1 FKAF CCCOC[C@@H](Cc1ccc(F)cc1)Nc1nc2cc(C(C)C)ccc2o1 27996878 FSVKOPFQXIADID-LJQANCHMSA-N 370.468 5.540 0 1 FKAF Clc1cccc2c1CN[C@@H](c1ccc(Br)cc1)c1cccn1-2 28461891 KETAZAJPNZAOBF-SFHVURJKSA-N 373.681 5.086 0 1 FKAF CC(=O)c1ccc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)cc1 28711027 KQSCRBRQJOCAJM-UHFFFAOYSA-N 363.457 5.481 0 1 FKAF CC/C=C/C=C/CC/C=C/C/C=C/CC/C=C/CC/C=C/CCC(=O)O 33820325 VIEVDWQLJOPJTP-FWMXRSOJSA-N 356.550 7.329 0 1 FKAF COc1cccc2c(CCN3CC=C(c4c[nH]c5ccccc45)CC3)coc12 45366329 XQCLCGLKJFCJMT-UHFFFAOYSA-N 372.468 5.255 0 1 FKAF Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 49052313 KZXMFJORGLUXJN-UHFFFAOYSA-N 364.832 5.153 0 1 FKAF CC(C)Nc1cc(-c2[nH]c(SC(C)C)nc2-c2ccc(F)cc2)ccn1 71329705 XNLJPUKEMZOZNY-UHFFFAOYSA-N 370.497 5.599 0 1 FKAF Clc1cccc(Oc2cc(NCc3cccc4ccccc34)ncn2)c1 82067869 DGAXNVTYEVLYIQ-UHFFFAOYSA-N 361.832 5.688 0 1 FKAF Cn1c(-c2cnc(NC(=O)c3ccc(Cl)cc3)s2)cc2ccccc21 142647985 YNIWTGJGOXGQIR-UHFFFAOYSA-N 367.861 5.208 0 1 FKAF CO[C@@H](C1CCCCC1)[C@H](C)/C=C\CC(=O)OCCCc1ccccc1 254103650 WFDPQRQYLWKFNQ-BZILMYNESA-N 358.522 5.340 0 1 FKAF CCCCCn1cc2c(=O)n(CCCc3ccccc3)nc-2c2ccccc21 299860017 IUPLKYNLPBIJLF-UHFFFAOYSA-N 373.500 5.126 0 1 FKAF CCc1c(-c2ccc(C)s2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992896 AAVJYQDODVXPDO-UHFFFAOYSA-N 371.461 5.751 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(Cl)cc(C)c2[nH]1 587014628 NYMKGZVNFIQIIB-UHFFFAOYSA-N 374.296 6.277 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc3ccccc3cc2[nH]1 587044401 ALFSCPVRDKWVDK-UHFFFAOYSA-N 373.239 5.707 0 1 FKAF Fc1cccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587047977 ONYDIAJAASJCOH-UHFFFAOYSA-N 357.215 6.343 0 1 FKAF Clc1cc(Cl)c2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1 587051521 YBUPSUKVWJFTAV-UHFFFAOYSA-N 362.647 5.981 0 1 FKAF CCc1cc(OCc2nc3cc(OC)c(Cl)cc3[nH]2)ccc1Cl 587052818 OCJLVWLTMAYLKR-UHFFFAOYSA-N 351.233 5.020 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(C(F)(F)F)ncc2[nH]1 587067187 XNZVTOZYLGEZTM-SECBINFHSA-N 355.747 5.079 0 1 FKAF CCc1c(-c2ccc(N)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587104323 GIWAXQDFBKHNJD-UHFFFAOYSA-N 350.421 5.258 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4ccc(CO)cc4[nH]3)c(Cl)c2)cc1F 587145594 NSEMKLVCHGSIIV-UHFFFAOYSA-N 366.823 5.490 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cncc(Br)c3[nH]2)c1 587153624 VSPZKYWZYYLCEF-UHFFFAOYSA-N 368.209 5.194 0 1 FKAF Cc1cc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2cc1C 587162024 BFDRZZYCOHXCSO-UHFFFAOYSA-N 359.404 5.238 0 1 FKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc3ncccc3c2[nH]1 587162712 IIMMEVCAZQXSDT-UHFFFAOYSA-N 367.383 5.148 0 1 FKAF CC[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356825 RYHBCDBJWPJMID-UNMCSNQZSA-N 354.421 5.229 0 1 FKAF C[C@]1([C@@H]2C[C@H]3CC[C@H]2C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357482 UMTBLFHGFCGMSR-YWFLULCXSA-N 366.432 5.085 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OC1CCCC1)CC2=O 587489248 NUFNVZNQKAECRR-QFIPXVFZSA-N 366.457 5.373 0 1 FKAF O=C1C[C@H](c2ccccc2C2CCCCC2)Oc2c1ccc1c2CCCC1 587522774 GYWRQFZXSCSXNG-XMMPIXPASA-N 360.497 6.320 0 1 FKAF COc1ccc(C)c2c1CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587527674 XTWUPSZMOYNUAM-XMMPIXPASA-N 362.469 5.079 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)c3ccc(F)cc3)c(C(F)(F)Cl)[nH]c12 587624313 KTOGSQSUONYOOC-UHFFFAOYSA-N 372.173 5.788 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cc(C)oc3C)c2c1 587642935 XABGNGJEKFPYKL-SNVBAGLBSA-N 363.379 6.141 0 1 FKAF O=C(O)CCN1c2ccccc2C2(CCCCC2)c2cc(Cl)ccc21 621477841 ORMLYTDTTDGXAJ-UHFFFAOYSA-N 355.865 5.516 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(Cl)c3)c3c(n2)-c2ccccc2C3)c1 653731197 DXTQALHTYZMPGC-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF Cc1cc2c(cc1F)[C@](Cc1ccccc1Cl)(c1ccoc1)NCC2 962378787 UNZBPLRMZIFSEG-NRFANRHFSA-N 355.840 5.013 0 1 FKAF COc1cc([C@@H]2CC(c3ccco3)=Nc3ccccc3S2)ccc1O 1772651273 ZKWHNXGCUZDEOH-FQEVSTJZSA-N 351.427 5.352 0 1 FKAF CCO[C@@]1(CCCCCCCCCCCCC(=O)O)OC(=O)C(C)=C1C 1857614099 OSNBLMLILDGLTO-NRFANRHFSA-N 368.514 5.378 0 1 FKAF CCN(CC)C(=O)Cn1c2ccccc2c2cc(-c3ccccc3)ccc21 1857759161 NUELVJMQQKAOJK-UHFFFAOYSA-N 356.469 5.330 0 1 FKAF CCCCC[C@@H]1C[C@@H](OC)c2c3c(cc(O)c2[C@H]1OC)C=CC(C)(C)O3 2356820829 FOPLWCNNWPOBIG-ZTQAJYAQSA-N 360.494 5.552 0 1 FKAF CC(C)Oc1cccc([C@@H](C)c2ccc3c(c2)Nc2ccccc2S3)c1 2382221119 JRQSDZTWMPUGEF-MRXNPFEDSA-N 361.510 6.834 0 1 FKAF O[C@H](c1ccc(F)c(F)c1)c1nc(-c2csc3ccccc23)cs1 61896276 MPZPKRQUQQUDSK-QGZVFWFLSA-N 359.422 5.385 0 3 FKAF Cc1cc(CCCOc2c(C)cc(-c3ccc(F)c(F)c3)cc2C)on1 3590500 FJUUQRSBWNVEJD-UHFFFAOYSA-N 357.400 5.557 0 1 FKAF Cc1c(-c2ccc(O)cc2)oc(-c2ccc(O)cc2)c1-c1ccc(O)cc1 13558564 SBZMIWRLDGYILO-UHFFFAOYSA-N 358.393 5.706 0 1 FKAF CSc1ccc2nc(SCCN(C)C)c(-c3ccccc3)cc2c1 26377294 KXIAIXJAWXTGKM-UHFFFAOYSA-N 354.544 5.277 0 1 FKAF CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)Nc1ccccc1 34734176 HZKAKOYDAZMSSR-PDBXOOCHSA-N 353.550 7.215 0 1 FKAF in-vitro O=C(O)c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)o1 35259962 KMDBSYSLINSAAZ-UHFFFAOYSA-N 367.401 5.009 0 1 FKAF O=C(O)CC1=C/C(=C\c2ccc(-c3ccccc3)cc2)c2ccc(F)cc21 40849027 VJDZAFANKNWYHT-XDHOZWIPSA-N 356.396 5.905 0 1 FKAF Fc1cccc(Oc2cncc(NC3CCCCCCCCCCC3)n2)c1 82068918 VGHBHKCAHXOFII-UHFFFAOYSA-N 371.500 6.493 0 1 FKAF CCOc1ccc(CCNc2cc(-c3ccc(C(C)C)cc3)ncn2)cc1 82162192 VVZNWOBYJKDWMS-UHFFFAOYSA-N 361.489 5.320 0 1 FKAF CC(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 215528749 JWTSEKVTEOYTJC-BOPJXXHASA-N 360.538 5.166 0 1 FKAF Nc1sc2ccc(Br)cc2c1Nc1ccc(F)c(Cl)c1 223028553 VHNGQUWCWNWXSL-UHFFFAOYSA-N 371.662 5.782 0 1 FKAF N=c1[nH]cc(C2CC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 473110347 VNZCZODKIHFFCH-UHFFFAOYSA-N 358.466 6.046 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)cc1 586899367 ZGYUODCCTUYWDR-UHFFFAOYSA-N 370.330 5.501 0 1 FKAF FC(F)(F)c1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 587051074 RUBVMPFKYYOLCG-YUMQZZPRSA-N 372.177 5.555 0 1 FKAF Cc1cncc(Cc2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)c1 587099041 YXBYDAUWLZWSNL-UHFFFAOYSA-N 350.421 5.049 0 1 FKAF Cc1c(Br)ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 587108905 IPAICRUQHKSQAH-UHFFFAOYSA-N 373.147 5.459 0 1 FKAF CCC[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352451 JHJWLVAHNUYZNE-PDXHDDNESA-N 354.421 5.229 0 1 FKAF CCC[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358415 XVKBWXIDSMRYCS-RBBKRZOGSA-N 356.437 5.475 0 1 FKAF CC(C)CCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358951 ZCUGHKVEVYCPPK-RBBKRZOGSA-N 356.437 5.475 0 1 FKAF CC(C)(C)C[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359214 ZWGXAJNIEVAHRN-NZQKXSOJSA-N 368.448 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)C(C)(C)CCS3)O2 587412388 BMNNMHWTRQRCRA-JOCHJYFZSA-N 367.514 5.231 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3cc(CC)ccc3o1)CC2=O 587486327 XIQMEDJEPOMWTF-HSZRJFAPSA-N 364.441 5.534 0 1 FKAF O=C1C[C@@H](c2cccc(N3CCCCC3)c2)Oc2c1ccc1c2CCCC1 587513889 LPQDPKLDTMVBPH-QHCPKHFHSA-N 361.485 5.262 0 1 FKAF CC(C)Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516482 UGYCSYWPMVFYEW-XMMPIXPASA-N 373.496 5.883 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccccc3)cc2O)Oc2c1ccc1c2CCCC1 587534746 YBAVZUSNVJIFDU-DEOSSOPVSA-N 370.448 5.645 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccccc3F)c2c1 587642515 SXZXFRBTESLZLU-NSHDSACASA-N 363.354 6.070 0 1 FKAF CCCCCC[C@@]1(CCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812645 KCQMDQTVNQXECA-IFXJQAMLSA-N 370.350 6.088 0 1 FKAF CC(C)=CC[C@@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587815758 PUDZARLNERBEMR-YJYMSZOUSA-N 366.318 5.474 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2CCCCCC2)N1 587818199 GPUWGCPZRHANHV-KZULUSFZSA-N 354.307 5.524 0 1 FKAF CCC[C@H](c1ccccc1)[C@H]1c2ccsc2CCN1Cc1cccn1C 962398997 OXSDTMYFISLKNL-OFNKIYASSA-N 364.558 5.770 0 1 FKAF CC1=C2C[C@@]3(C[N@]4C[C@@H]4CNC4CCCCC4)CC[C@H](C)[C@@]2(CC1)C3(C)C 2356771373 WIMITFNNPJBCPT-CBUGZDOTSA-N 370.625 5.536 0 1 FKAF COc1cc2c(cc1OC)[C@](C)(c1ccccc1)C[C@@H]2NCC=C(C)C 199724421 AWQILEMXDJJLIN-REWPJTCUSA-N 351.490 5.010 0 3 FKAF O=C(O)c1ccc(OCCCCC2c3ccccc3-c3ccccc32)cc1 1543189 WQZKUZXUBYJRBC-UHFFFAOYSA-N 358.437 5.746 0 1 FKAF CCN(CC)CCCCOC(=O)[C@@](C)(c1ccccc1)C1CCCCC1 13453144 HXBKNTPSKWVIGR-QHCPKHFHSA-N 359.554 5.190 0 1 FKAF Cc1ccc(-c2cccc(-c3cc4ncccc4c(NCCCN)n3)c2)cc1 13489163 YBDXTCXQWHYRAK-UHFFFAOYSA-N 368.484 5.033 0 1 FKAF CC1=C(/C=C/C(C)=C/C(=O)Nc2ccc(C(=O)O)cc2)C(C)(C)CCC1 26835572 GKZCQIGRTVKPTC-SEGNDCOSSA-N 353.462 5.352 0 1 FKAF Clc1ccc([C@H]2SC3(CCNCC3)c3ccccc32)c(Cl)c1 27872039 KOHLQAVODCKQCE-KRWDZBQOSA-N 350.314 5.408 0 1 FKAF O=S(=O)(c1ccc(Cl)cc1)C1(c2ccccc2F)CCCCC1 28520493 MLQCGTIQCWRFKG-UHFFFAOYSA-N 352.858 5.112 0 1 FKAF CC1(C)CCc2c1ccc1c2CCc2cc(OCCN3CCCC3)ccc2-1 33828488 PMVGQBXQIGQQAY-UHFFFAOYSA-N 361.529 5.151 0 1 FKAF Fc1cccc(CNc2ncnc3ccc(-c4cccc(Cl)c4)cc23)c1 36380642 NJHDBYIEZFDQOE-UHFFFAOYSA-N 363.823 5.701 0 1 FKAF CCCc1ccc(N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)cc1 45389846 CHDRRISOFKAHLC-UHFFFAOYSA-N 368.864 5.533 0 1 FKAF CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C 169641601 UJCULRQYCJZJQR-YZASHPNZSA-N 370.625 5.447 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(O)cc3)nc(-c3ccc(O)cc3)c2)cc1 299825991 DLLSVLONMLTGFQ-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2ccnc(Br)c2[nH]1 586878455 HQCNSAVJMAJUIR-UHFFFAOYSA-N 364.246 5.363 0 1 FKAF O=C1c2ccccc2-c2cc(Cc3cccc(Cl)c3)nc3ccc(O)c1c23 586985371 GGSIOMGBPYNFSM-UHFFFAOYSA-N 371.823 5.396 0 1 FKAF Fc1cc(Cl)cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587033432 VDPYCSCMRYDSTI-UHFFFAOYSA-N 357.841 5.363 0 1 FKAF N=c1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c[nH]1 587051677 SCJXOJXMJWHSHO-UHFFFAOYSA-N 370.843 5.511 0 1 FKAF N[C@@H](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccccc1Cl 587055319 APHJUCGSDHRZJD-LBPRGKRZSA-N 374.193 5.131 0 1 FKAF Cc1ccc2c3c(c(CC(C)(C)C)c(C(=O)O)nc13)-c1ccccc1C2=O 587100364 HWPBZCVAERPPNH-UHFFFAOYSA-N 359.425 5.041 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1nc(Cl)ccc1C3 587103117 CRIPINWMBQZUBX-UHFFFAOYSA-N 354.796 5.066 0 1 FKAF CC(=O)c1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587128873 SIRLENFGXKYKKO-UHFFFAOYSA-N 369.396 5.494 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2c1 587152279 LCNWVDGRPFDXNI-UWVGGRQHSA-N 356.269 5.270 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccnc(Cl)c3[nH]2)c1 587158584 OUWNDZWLBDZHMB-UHFFFAOYSA-N 367.811 5.017 0 1 FKAF Cc1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587159383 OGBXQCLQRWAUNF-FQEVSTJZSA-N 366.823 5.832 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)[C@H]3C(=O)O)c1 587364896 AJMKIUPHLXBICQ-GOSISDBHSA-N 373.408 5.116 0 1 FKAF CCCc1c(O)ccc2c1O[C@H]([C@H](C)CC[C@H](C)CC(C)(C)C)CC2=O 587490652 SXFKNFBMHYHDGX-MRUHUIDDSA-N 360.538 6.167 0 1 FKAF CC(C)Oc1ccc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520492 DCIVQHLPDANRFF-HXUWFJFHSA-N 364.485 5.319 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(N)c3)c(-n3nc(C)cc3C)c2c1 587641866 ICMJTQMNXQVPDL-AWEZNQCLSA-N 358.489 5.733 0 1 FKAF CC1=CC[C@H](C[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587817927 FOKRPMIZMMLKPW-WRSAYESZSA-N 366.318 5.546 0 1 FKAF CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@]1(C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587828752 PPESQVLLZOYVTP-WCMOBSJKSA-N 366.318 5.020 0 1 FKAF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587842833 GNTYVQUWOWGUOA-XYZCENFISA-N 368.315 5.064 0 1 FKAF CCC[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)C(C)C 587955868 VLLBMWKYEJMCGQ-SECBINFHSA-N 374.120 5.628 0 1 FKAF COc1cc(OC)c2[nH]c(Cc3ccc(-c4ccccc4C)cc3)nc2c1 587960287 YIFXNMTVAAHURS-UHFFFAOYSA-N 358.441 5.146 0 1 FKAF COc1ccc2c(c1)[C@@]1(CCC[C@@H](c3ncccc3C)C1)N(C(C)C)CC2 962090766 MUHDPXRYEGZQQO-YKSBVNFPSA-N 364.533 5.218 0 1 FKAF CCC(=O)Nc1ccc([C@@]2(C)NCCc3cccc(-c4ccccc4)c32)cc1 962673544 ZCYUGUBDCUSIDV-RUZDIDTESA-N 370.496 5.111 0 1 FKAF Cc1cccc(C2(c3cccc(C)c3)c3c(F)cccc3C[C@@H]3CCCN32)c1 963117956 ZSHXNJAMURNFPP-QHCPKHFHSA-N 371.499 5.755 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@]12CCc1ccc(-c3ccccc3)cc12 963226073 GLODHBFIXAYLAA-DCFHFQCYSA-N 367.536 6.200 0 1 FKAF O=C(O)/C=C/c1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)o1 1857571308 ZPIIPYGHGSVGBX-CMDGGOBGSA-N 360.196 5.413 0 1 FKAF Oc1ccc(-c2nnc(-c3ccc(-c4nc5ccccc5s4)cc3)o2)cc1 1911582861 CATZCKKWUXTJBL-UHFFFAOYSA-N 371.421 5.386 0 1 FKAF CC(C)[C@H](C)C=C[C@H](C)[C@H]1CC=C2c3ccc4ccccc4c3CC[C@]21C 2356711007 DBRICIKZTYJLQL-GJWMGYQWSA-N 358.569 7.680 0 1 FKAF CC(C)(C)Cn1c(Cc2c[nH]c3c(F)cccc23)nc2ccc(F)cc21 2382252152 VXZVLMVXVCWBDV-UHFFFAOYSA-N 353.416 5.433 0 1 FKAF CC(=O)c1ccc(O[C@@]2(C)CCN(Cc3ccc4ccccc4c3)C2)cc1 61902704 AJHUMSXXWNOSEE-DEOSSOPVSA-N 359.469 5.086 0 3 FKAF COc1ccc([C@H](Cc2ccccc2)c2ccccc2)cc1OC1CCCC1 13441948 SFXSRVKSHRWBDA-XMMPIXPASA-N 372.508 6.391 0 1 FKAF O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@@H](c2ccoc2)N1Cc1ccccc1 13830282 KSYOIXDDZBOZLY-NAVOZUGXSA-N 369.464 5.339 0 1 FKAF CCCN(CCC)CCCCCCNc1cc(OC)cc2c(C)ccnc12 28104957 HPRCGQPLACQVIT-UHFFFAOYSA-N 371.569 5.646 0 1 FKAF Fc1ccc2c([C@H]3CNCC[C@H]3F)c(-c3cccc4ccccc34)[nH]c2c1 29392567 XWGNKABGVNJFEL-VQTJNVASSA-N 362.423 5.542 0 1 FKAF Clc1ccc(CCNCC2(N3CCCCC3)CCCCC2)cc1Cl 38349230 QAYXJKJHAIDHCC-UHFFFAOYSA-N 369.380 5.314 0 1 FKAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H](C)C(C)C)c2)[nH]1 40420218 ZUDZFZSAHJQBSP-ZDUSSCGKSA-N 370.497 5.456 0 1 FKAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(C3CCCCC3)oc12 73169447 PWMZPDXVDOZRCD-UHFFFAOYSA-N 372.852 5.385 0 1 FKAF COc1ccc2nc(-c3ccc(Oc4ccccc4)cc3)cc(C(=O)O)c2c1 96927249 HIDSMGLJMLYGCR-UHFFFAOYSA-N 371.392 5.401 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@](C)(O)C[C@]34C)[C@@H]1CC=C2c1cccnc1 169275757 JWKDQOYWIWZKKH-QEUXJIIKSA-N 351.534 5.479 0 1 FKAF Cc1cc2c(cc1[C@H](N=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 169715897 ZZFDQPLTFLJDEV-HXUWFJFHSA-N 365.473 5.898 0 1 FKAF O[C@H](c1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299863316 KXUHEQWGJVXJTG-UCYJUSSHSA-N 369.508 5.784 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586882933 CXTPOZJASSRVCM-UHFFFAOYSA-N 360.766 6.364 0 1 FKAF OCc1ccccc1-c1cccc(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 586894896 FYLZGFLFBHRSFI-UHFFFAOYSA-N 352.796 5.182 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 586896441 LWAMLCWIHVODTE-UHFFFAOYSA-N 355.224 5.909 0 1 FKAF Cc1c(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905531 SKBJNULBYAVMBU-IBGZPJMESA-N 374.440 5.080 0 1 FKAF C[C@H]1C[C@@H](C)C[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 586991497 NPEBVUIXVDSSGG-FICVDOATSA-N 357.453 5.692 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1 587032310 HNAVQXHEYCGMQC-UHFFFAOYSA-N 370.433 5.381 0 1 FKAF COc1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1 587067534 FYFFOWQWBIGIFU-UHFFFAOYSA-N 364.832 5.051 0 1 FKAF COc1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2n1 587070395 GQHRSWNJZFUKSN-UHFFFAOYSA-N 371.227 5.002 0 1 FKAF CCCCc1c(C(=O)OCC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096998 NICRXDDIPTWPMI-UHFFFAOYSA-N 373.452 5.274 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc(Cl)c3F)nc3cccc1c23 587104441 UJUVEJYTGDEURM-UHFFFAOYSA-N 359.787 5.906 0 1 FKAF CC(C)[C@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197570 IGMUGZBCLPDPKE-CQSZACIVSA-N 371.403 5.146 0 1 FKAF CC[C@@H](C)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587207342 QXMIURQLESKKLM-MRXNPFEDSA-N 363.460 6.627 0 1 FKAF Cc1cccc2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355374 USWUWPUPEAXAKX-UPVQGACJSA-N 374.411 5.040 0 1 FKAF CC(C)=CCC/C(C)=C\C[C@]1(C2CCC2)CC(=O)c2cc(C)cc(N)c2O1 587405322 KKRFVZJQUNZQRF-JBPJOUFVSA-N 367.533 6.164 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@](C)(c3ccccc3)C1)CC2=O 587484582 STGUBMOCIXFLQH-PKTZIBPZSA-N 350.458 5.191 0 1 FKAF O=C1C[C@H](c2c[nH]c3c(Cl)cccc23)Oc2c1ccc1c2CCCC1 587496925 CKHNBINGTYIBGD-LJQANCHMSA-N 351.833 5.407 0 1 FKAF Cc1nn(-c2ccccc2)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516035 QKBVUWGIIZIAAF-QFIPXVFZSA-N 372.468 5.074 0 1 FKAF O=C1C[C@@](c2ccccc2)(c2ccc(O)cc2)Oc2c1ccc1c2CCCC1 587534820 ZFHPMQQXOBXRPR-RUZDIDTESA-N 370.448 5.180 0 1 FKAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)sc2ccccc12 587536262 TWKYNBPHLPCFMA-QHCPKHFHSA-N 362.494 5.969 0 1 FKAF CC[C@]1(Cc2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603828 RUWVLWVFPNWCSH-XUZZJYLKSA-N 374.436 5.054 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c([C@H](C)C(=O)O)c2c1 587642124 OTQIJMBGTJDWIS-STQMWFEESA-N 355.865 6.190 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c1 587779891 IUKJAWIYCRFVBW-UHFFFAOYSA-N 370.496 6.593 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587952335 OYKDCCQRXFBZDQ-OBJOEFQTSA-N 356.388 5.508 0 1 FKAF COc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Cl 587955577 JIJAFJYIXZESCS-QGZVFWFLSA-N 362.860 5.600 0 1 FKAF Cc1c(F)cc(Cl)c([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c1F 962665931 RPPIJIXOOQDJIU-JOCHJYFZSA-N 369.842 5.829 0 1 FKAF Cc1ccc(N2C(=N)C(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 1772639876 PLERJDKIHNOBDW-UHFFFAOYSA-N 364.257 5.053 0 1 FKAF O=C1COc2ccc(-c3cnc4ccccc4c3)cc2N1c1ccc(F)cc1 1857563388 DJCMHOVIXKPEHA-UHFFFAOYSA-N 370.383 5.098 0 1 FKAF CC1(C)CC(=O)[C@@H]2[C@@H](C1)Oc1ccc3ccccc3c1[C@H]2c1ccc(O)cc1 1857640817 QUXMZOPORIRCGR-CQOQZXRMSA-N 372.464 5.444 0 1 FKAF c1ccc(-c2ccc(-c3coc(-c4ccccc4-c4ccccc4)n3)cc2)cc1 2382249141 RVLYIWKGYIZPQC-UHFFFAOYSA-N 373.455 7.343 0 1 FKAF O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@H](c2ccoc2)N1Cc1ccccc1 13661895 KSYOIXDDZBOZLY-YCAMKHIRSA-N 369.464 5.339 0 3 FKAF Oc1ccc([C@@H](CCNCCc2c[nH]c3ccccc23)c2ccccc2)cc1 5666644 GIWCSJINSKKUTM-QHCPKHFHSA-N 370.496 5.228 0 1 FKAF CCCCCC(=CCNC(=O)Nc1ccc(Cl)cc1)CCCCC 13451917 CIWRUSYLNXXOOQ-UHFFFAOYSA-N 350.934 6.549 0 1 FKAF in-vivo CCc1nc2c(-c3ccc(Cl)cc3C)nccc2n1[C@@H](CC)C1CC1 13479648 GZTKAYBCLJNTSZ-KRWDZBQOSA-N 353.897 5.984 0 1 FKAF COc1ccc(CCNC[C@H](c2ccccc2)C2CCCCC2)cc1OC 27767762 WVULSEFPLGCOKE-JOCHJYFZSA-N 367.533 5.200 0 1 FKAF C(=C/c1cccs1)\c1cc(-c2cccs2)cc(-c2cccs2)n1 28762704 DKDQWJOLPDITPR-BQYQJAHWSA-N 351.521 6.771 0 1 FKAF C=C(c1cc(Cl)ccc1O[C@@H](CCC)c1ccccc1)n1ccnc1 28765423 CCICQPYJDAUYAF-FQEVSTJZSA-N 352.865 5.976 0 1 FKAF COc1ccc2c(c1)O[C@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)C2=O 49808243 XCTQFDUXJBEYQJ-IFMALSPDSA-N 364.828 5.449 0 1 FKAF O=C1c2cccc(Cl)c2[C@H](Cc2ccccc2)c2cccc(Cl)c21 58502245 JALNFPAQHPYTTE-MRXNPFEDSA-N 353.248 5.912 0 1 FKAF CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)C[C@@H]1c1ccccc1 62225211 FPHRJFSIJGQNMS-HXUWFJFHSA-N 363.505 5.277 0 1 FKAF CCCCCCN(CCCCCC)C(=O)c1cc(-c2ccccc2)no1 72119624 ZPOYTIYRBNBTDL-UHFFFAOYSA-N 356.510 5.944 0 1 FKAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1C[C@H](F)CN1C(=O)C1CCC1 72176199 BPICUEHAJGKYLS-FXAWDEMLSA-N 372.871 5.122 0 1 FKAF COc1cc(OC)cc(-c2cc3c(Nc4cccc(C)c4)nccc3[nH]2)c1 74387128 MSPFFYPDWITCQQ-UHFFFAOYSA-N 359.429 5.299 0 1 FKAF CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)s1 95584349 RFAFMBXMQPXCBY-SFHVURJKSA-N 352.484 5.241 0 1 FKAF O=C(Nc1ccccc1)Oc1ccccc1[C@@H]1CC(=O)c2ccccc2O1 98082359 VNQPBONHYBMYHA-NRFANRHFSA-N 359.381 5.004 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CC[C@H](C)C(=O)NCCF 102262608 HMMNZALKMVCHHZ-RRLBHHRISA-N 363.561 6.464 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cnc3ccccc3c2)n1 205847246 ULCAVCXZLULUCF-JOCHJYFZSA-N 366.468 5.490 0 1 FKAF CCc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(F)cc2)s1 206864777 OORCHHYZAJCTOP-FQEVSTJZSA-N 366.461 5.216 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC=C2Cc1ccccn1 253634256 LYEZZXKWQAOTRN-DJBJKVAOSA-N 363.545 5.484 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]3c1ccccc1 586989868 GJFLNPGFQHBZAY-OAHLLOKOSA-N 363.416 5.230 0 1 FKAF COc1cc(/C=C\c2nc3c(C)ccnc3[nH]2)cc(Cl)c1OCC(C)C 587047422 WRGOJCURTILCRU-WAYWQWQTSA-N 371.868 5.134 0 1 FKAF C[C@@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccccc1C(F)(F)F 587098111 NNQQFTYCHRCUHT-SECBINFHSA-N 374.284 5.632 0 1 FKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccccc4[nH]3)cc2F)c1 587143125 KXLLTPWEOWQJOX-UHFFFAOYSA-N 352.796 5.698 0 1 FKAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(C(C)(C)C)c2[nH]1)C(C)(C)C 587204390 JFWFOWVLIDMATE-INIZCTEOSA-N 373.541 5.342 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2)cc1 587241406 CCZBLCSYEDBHSV-UHFFFAOYSA-N 370.239 5.986 0 1 FKAF CC1(C)C([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C 587353573 LHXQFIARIAWTFX-MBSDFSHPSA-N 368.448 5.331 0 1 FKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1Cl 587507425 QMDBDJPDOGRDIA-LJQANCHMSA-N 361.268 5.887 0 1 FKAF CC(C)[C@@H]1CCC[C@@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604452 TZLJIZXOUWTYNW-LQNXUBFPSA-N 366.457 5.329 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](c3ccccc3)C2)N1 587818628 RNUGGPBVPTWSHW-JOTOCRJQSA-N 374.297 5.285 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2CCCC3)N1 587819510 IMMCTBFLYSSNNL-MPBGBICISA-N 374.297 5.091 0 1 FKAF Fc1ccc2c(c1)-c1cc(n(-c3c(F)cc(C(F)(F)F)cc3Cl)n1)O2 587873631 FKGHXXMKSDEKJM-UHFFFAOYSA-N 372.680 5.595 0 1 FKAF CCOc1ccc(OCC)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587946451 UIKODUQFCHMWNI-GOSISDBHSA-N 357.425 5.240 0 1 FKAF Fc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1Br 587968435 SSXZKZRIQVMYMG-UHFFFAOYSA-N 361.258 5.304 0 1 FKAF Cc1ccccc1[C@@]1(C2CC2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962696983 AQLWMKKIWKOQQK-JPYJTQIMSA-N 367.533 5.151 0 1 FKAF Clc1ccc([C@H]2CCCCC[C@@]23NCCc2nc4ccccn4c23)cc1 962981024 COCWTRVQQNZIFL-XMSQKQJNSA-N 365.908 5.077 0 1 FKAF Clc1ccc2sc(CCCCN3CC[C@H]4CCCC[C@@H]4C3)nc2c1 1772587574 IFPGADOWNOXLNQ-HZPDHXFCSA-N 362.970 5.785 0 1 FKAF CC1=C[C@@H](c2c(O)cc(C=Cc3ccccc3)oc2=O)[C@H](C(C)C)CC1 2356729901 QNJUNTVTYKUFSX-VQTJNVASSA-N 350.458 5.612 0 1 FKAF CCOc1ccccc1-c1nc(-c2ccc(-c3ccc(C)cc3)cc2)co1 2382239206 NORGTHMMGPAEPQ-UHFFFAOYSA-N 355.437 6.383 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)CC(c2ccncc2)=NO1 12725650 SDFXQTNMVAOIEY-IBGZPJMESA-N 369.877 5.207 0 3 FKAF CCCCNC(=O)[C@@]1(C)CCCCN1Cc1ccccc1-c1ccccc1 61905303 PVDVAAVHEIHLJO-XMMPIXPASA-N 364.533 5.015 0 3 FKAF Cc1ccc(Nc2nc(C)nc3sc4c(c23)CCC4)c(Br)c1 753802 DYTJUOYJDAKMAR-UHFFFAOYSA-N 374.307 5.303 0 1 FKAF O=C(NC1CCCCC1)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774580 QBNNWACRTHGUBZ-UHFFFAOYSA-N 370.836 5.318 0 1 FKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1O 3596266 ZAIQNYMNZNXUAF-FOWTUZBSSA-N 366.457 5.270 0 1 FKAF in-vitro CC1(C)CCC(C)(C)c2cc([C@H]3COc4cc(C(=O)O)ccc4C3)ccc21 13815375 IHDJKLZRJCYNNI-GOSISDBHSA-N 364.485 5.453 0 1 FKAF CCc1ccc(OC(=O)c2ccccc2)c(C(=O)c2ccc(Cl)cc2)c1 28761427 KQRXYPFIZXLENT-UHFFFAOYSA-N 364.828 5.353 0 1 FKAF Cc1cc(C)cc(COC[C@@H](C(c2ccccc2)c2ccccc2)N(C)C)c1 29548803 KYAGVGRXHALGSE-VWLOTQADSA-N 373.540 5.582 0 1 FKAF CCCO[C@H](c1ccccc1Cl)[C@H](SC(C)(C)C)n1cnc(C)c1 45366941 ZQMAZVIVIYATFX-MSOLQXFVSA-N 366.958 6.043 0 1 FKAF CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(-c3cccs3)cc12 64526823 XIBAUTSZDOVNEE-UHFFFAOYSA-N 350.443 5.400 0 1 FKAF O=C(O)CCc1ccc(OCc2ccc(Cl)cc2-c2ccccc2)cc1 84689555 SPCQOXBEJYQRJR-UHFFFAOYSA-N 366.844 5.603 0 1 FKAF C[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 84690319 CKMSNVMYZASRFE-JOCHJYFZSA-N 363.504 6.329 0 1 FKAF Cc1[nH]c2ccccc2c1[C@H](NCc1ccccc1)c1ccccc1Cl 103244876 FCLRKOQXOJBTEP-HSZRJFAPSA-N 360.888 6.009 0 1 FKAF O=C(/C=C/c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 210799404 ZZWGXWJDVSCPSR-OVCLIPMQSA-N 361.828 5.488 0 1 FKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 586918109 WKKXWBIPDLYNBC-UZUQRXQVSA-N 362.473 5.077 0 1 FKAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)s1 587014032 GIYJHFFYOUUVLZ-MRVPVSSYSA-N 373.375 5.250 0 1 FKAF FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023637 NPDDAILOWJCZOI-UHFFFAOYSA-N 351.378 5.434 0 1 FKAF COc1cccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587069530 CLMJREPUMOAQET-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF Cc1ccncc1Cc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587097867 QHRKCCZCVPNOIY-UHFFFAOYSA-N 350.421 5.049 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587152576 ACVNTKGVECXFEX-UHFFFAOYSA-N 368.314 5.358 0 1 FKAF COc1cccc(-c2cc(-c3ncc(F)cn3)nc3c2oc2ccccc23)c1 587360750 RWSADYIFRZJBET-UHFFFAOYSA-N 371.371 5.253 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](O)CCCCC3)c1 587365794 JZKLMQODRAKUIU-IBGZPJMESA-N 373.452 5.807 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)Sc2sccc21 587497505 WTDGBUDUKDDWLZ-WLRWDXFRSA-N 360.500 5.151 0 1 FKAF O=C1C[C@@H](c2cccc(-c3ccc(F)cc3)n2)Oc2c1ccc1c2CCCC1 587506603 KXYLHYCOOOJKND-QHCPKHFHSA-N 373.427 5.473 0 1 FKAF Cc1cc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587550745 YGFLNSBXXHYYLC-GHTZIAJQSA-N 366.800 5.057 0 1 FKAF CCCCCC[C@H](C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600844 CMQKSMUAOUKOBN-LYLBAIIYSA-N 354.446 5.329 0 1 FKAF Cc1ccc2nc(C)c(Cc3c(C)[nH]c4cccc(F)c34)c(Cl)c2c1 587634281 XGKAHZSQRJWUES-UHFFFAOYSA-N 352.840 6.025 0 1 FKAF CC(C)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587649558 PXNWFVSRAUUYLF-UHFFFAOYSA-N 361.894 5.090 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2Cl)N1 587720256 NCWDRNYXIYSALR-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)cc1 587933543 ZQEHWBJIENKZOV-UHFFFAOYSA-N 352.796 5.698 0 1 FKAF CCN(CC)CCCc1cc2cc(Cl)ccc2nc1-c1cccs1 653784783 DKJWYFIGAFQFAS-UHFFFAOYSA-N 358.938 5.891 0 1 FKAF COc1ccc2c(c1)[C@](C)(CC(=O)c1ccc(Cl)cc1)N(C(C)C)CC2 962089482 JTOYBYYBNPZTLU-QFIPXVFZSA-N 371.908 5.103 0 1 FKAF Fc1cc([C@H]2NCCc3cccc(-c4ccccc4)c32)c2ncccc2c1 962674665 YKWISVRTPNHYBH-XMMPIXPASA-N 354.428 5.276 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1cccn1-c1ccc(Cl)cc1 963101114 JJLMOTYHIZYPIG-KNQAVFIVSA-N 366.867 5.380 0 1 FKAF CC(C)[C@@]1(CSc2ccccc2)NCCc2c(Cl)cc(Cl)cc21 963127252 ZZTOEIWMSVJGLY-LJQANCHMSA-N 366.357 5.783 0 1 FKAF Cc1ccc(-n2nc(C)c3cc(Cl)c(-c4cc(C)ccc4O)nc32)cc1 2382222917 ROFWDCDMMWCZOG-UHFFFAOYSA-N 363.848 5.372 0 1 FKAF O=c1oc(-c2ccccc2)cc(O)c1[C@H](CC1CC1)SC1CCCCC1 13740583 PCJNLLQDVKADGI-FQEVSTJZSA-N 370.514 5.920 0 1 FKAF CCCCCCC(P(=O)(OCC)OCC)P(=O)(OCC)OCC 26958592 AROMOXSCAOFSNH-UHFFFAOYSA-N 372.379 5.815 0 1 FKAF CC(C)(CCCCNc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O 27434639 ZNWHTSZHVMLAEM-UHFFFAOYSA-N 362.473 5.595 0 1 FKAF CC[C@H](C)CNCCc1ccc2ccc(CCNC[C@@H](C)CC)cc2c1 27655954 DRCDQROWAJCQKW-PMACEKPBSA-N 354.582 5.196 0 1 FKAF COc1ccc2c(CCCCCCCCCCCCCCO)c[nH]c2c1 28639200 RSKUSCVKKCCDDZ-UHFFFAOYSA-N 359.554 6.393 0 1 FKAF Cc1ccccc1[C@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708172 GBDUIWBXAKZJPC-DEOSSOPVSA-N 357.497 5.068 0 1 FKAF in-vivo COC(=O)c1c2c(c3ccccc3c1OCc1ccccc1)OC(C)(C)C=C2 39140075 SPFNOIXUFBBVOQ-UHFFFAOYSA-N 374.436 5.390 0 1 FKAF O=C(c1ccc(-c2ccccc2F)cc1)N1CCc2c([nH]c3ccccc23)C1 40848267 RYDRDYBUQREBLW-UHFFFAOYSA-N 370.427 5.173 0 1 FKAF CCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(CO)C[C@H]21 40865784 KTHWIOFRFOUANN-ROUUACIJSA-N 358.522 5.443 0 1 FKAF Cc1ccc(Cc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 49803550 ZAFKDPUPUZGKGT-UHFFFAOYSA-N 362.469 5.651 0 1 FKAF Cc1cn(Cc2coc(-c3cccc4ccccc34)n2)c(-c2ccccc2)n1 72101535 BCJKNIVKEQBFJW-UHFFFAOYSA-N 365.436 5.715 0 1 FKAF CCCCC[C@H](C)NCc1coc(-c2ccc(Oc3ccccc3)cc2)n1 72183761 JNUVAFMGBASYJZ-SFHVURJKSA-N 364.489 6.192 0 1 FKAF Fc1cc(F)cc(CNc2cc(-c3ccc(C(F)(F)F)cc3)ncn2)c1 82161956 ATUIUGGQYSFEDU-UHFFFAOYSA-N 365.305 5.053 0 1 FKAF Cc1nc(-c2cnc(NC3CCCCC3)nc2-c2ccccc2)sc1C 82162523 SVBAINWWXCHMMZ-UHFFFAOYSA-N 364.518 5.629 0 1 FKAF CCCCNc1ncc(-c2nc3ccccc3s2)c(-c2cccc(C)c2)n1 82167351 ZQLXYUSVTVTGNZ-UHFFFAOYSA-N 374.513 5.941 0 1 FKAF NCCS[C@@](Cc1ccccc1)(c1ccccc1)c1ccccc1F 84653104 WITLBIJKJWFEOJ-QFIPXVFZSA-N 351.490 5.004 0 1 FKAF Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccccc2Cl)cc1 84723488 SHRYQWWHWSNNCG-QGZVFWFLSA-N 360.888 6.198 0 1 FKAF O=C(O)C[C@H](CC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 95579092 BYKAVKUMZQFYHJ-IBGZPJMESA-N 360.409 5.310 0 1 FKAF CCC[C@]1(c2ccccc2)CC(O)=C(SCCc2ccccc2)C(=O)O1 100363878 OZZRXOYPHSBIEH-JOCHJYFZSA-N 368.498 5.374 0 1 FKAF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Sc3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32O4 103105946 VHGKAWIAXHOJIT-BLWYLUKMSA-N 360.519 5.055 0 1 FKAF CC(C)Oc1ccc(-c2ccccc2-c2nc3ccccc3o2)cc1Cl 169350532 JOGCEALJVRQZDL-UHFFFAOYSA-N 363.844 6.602 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586884835 ZMCFJFYOUNWMBN-UHFFFAOYSA-N 362.432 5.923 0 1 FKAF CCc1oc2ccccc2c1-c1nc2ccc(Br)c(F)c2[nH]1 586904127 REULPFWRILAMGI-UHFFFAOYSA-N 359.198 5.440 0 1 FKAF Cc1ccc2c3c(cc(CCC(F)=C(F)F)nc13)-c1ccccc1C2=O 586991840 BBGNOCCFVQAKLE-UHFFFAOYSA-N 353.343 5.765 0 1 FKAF FC(F)(F)Oc1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587025566 LDMUYYRAOWBDTE-UHFFFAOYSA-N 360.360 5.857 0 1 FKAF COc1ccc2nc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)sc2c1 587035955 XVIDVJCIBBYZLB-UHFFFAOYSA-N 367.327 5.006 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2cccc(C(F)(F)F)c2[nH]1 587062262 PPNSNTWANSXJIS-ZDUSSCGKSA-N 354.759 5.765 0 1 FKAF COc1cccc(-c2cc(-c3c(C)noc3C)nc3c2oc2ccccc23)c1 587362359 FSIQWSDKYPEHMB-UHFFFAOYSA-N 370.408 5.928 0 1 FKAF COc1cccc(-c2cc(CCC(=O)C(C)C)nc3c2oc2ccccc23)c1 587366069 QEJUFFHKZOTPFQ-UHFFFAOYSA-N 373.452 5.814 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccc(C)c(C)c3nc1Cl)O2 587379809 KZYHXRQKVRIVHY-SFHVURJKSA-N 366.848 5.102 0 1 FKAF CCCOc1cccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)c1 587482592 PHEYQTVEDXMASS-JOCHJYFZSA-N 354.446 5.014 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1CCc1ccccc1)CC2=O 587486004 WOEDXBKRSQTFGX-KOSHJBKYSA-N 364.485 5.482 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1cc3ccccc3o1)(C1CC1)CC2=O 587486114 XAVWQJDNJJTPTJ-HSZRJFAPSA-N 362.425 5.362 0 1 FKAF O=C1C[C@]2(CCC[C@@H]2c2ccccc2Cl)Oc2c1ccc1c2CCCC1 587504086 IFBPSWXJELPHPA-XXBNENTESA-N 366.888 5.891 0 1 FKAF O=C1C[C@H](c2cccc(-c3ccc(F)cc3)c2)Oc2c1ccc1c2CCCC1 587509458 RZXWUJGYZFHOIH-XMMPIXPASA-N 372.439 6.078 0 1 FKAF Nc1cccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587509806 JJXUBQVJCOWJRF-VWLOTQADSA-N 369.464 5.057 0 1 FKAF O=C1C[C@@H](c2ccccc2-c2ccccc2)Oc2c1ccc1c2CCCC1 587524832 NNIRVGBWSZDFQU-DEOSSOPVSA-N 354.449 5.939 0 1 FKAF Cc1nc(C2CC2)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587529677 AZJSIFVUOAAYNB-NRFANRHFSA-N 353.487 5.088 0 1 FKAF CCOC(=O)c1c(-c2ccc(F)cc2F)[nH]c2cc(Cl)c(F)cc12 587629471 RBZURIHGMAICAE-UHFFFAOYSA-N 353.727 5.082 0 1 FKAF O=C(c1ccc(F)cc1)c1c(-c2ccc(F)cc2)[nH]c2cccc(F)c12 587634529 IVXICCFFKUYTRL-UHFFFAOYSA-N 351.327 5.483 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccc(C)c3)c2c1 587642103 ONJMXXJDEFNUIJ-CYBMUJFWSA-N 359.391 6.240 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)cc(C)c4[nH]3)c2)cc1O 587787696 XAYRLOMPPXLKFD-UHFFFAOYSA-N 364.832 5.573 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@H]2c2ccccc2)N1 587815175 KKHYZWQDLSDGGG-MFHIXDMVSA-N 374.297 5.141 0 1 FKAF CC(C)CC[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587818895 GFLUPRPFACEYJG-RFUYNDQBSA-N 368.334 5.554 0 1 FKAF CCCc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587820069 OOGXSVGWTBVPHQ-BLVKFPJESA-N 362.286 5.164 0 1 FKAF Fc1cc2[nH]c(/C=C\c3cccc4ccccc34)nc2cc1Br 587966789 DNRXMQBWYVPQQW-HJWRWDBZSA-N 367.221 5.788 0 1 FKAF c1ccc(-c2cccc3c2C2(C[C@@H]4CC[C@H](C2)N4C2CCCC2)NCC3)cc1 962666537 MYUJPUKXXAQXOQ-XZQOPNAISA-N 372.556 5.264 0 1 FKAF CC[C@H](O)C(=O)C[C@H](C)CCCC(C)=CC=C[C@]1(C)CCCc2ccoc21 2356539920 GHGXPVQCIKVWSW-NHCICSSKSA-N 372.549 5.913 0 1 FKAF O=C(c1cccc(Cl)c1)N1CC[C@H]2C[C@H]1c1cc(-c3ccccc3)ccc12 101841499 SKLOZBBNUGXGTN-MBSDFSHPSA-N 373.883 6.082 0 3 FKAF Cc1ccc([C@@]2(c3ccc(Cl)cc3)c3ccccc3C3=NCCN32)cc1 6487865 NBNISSOBVHKYNY-HSZRJFAPSA-N 358.872 5.016 0 1 FKAF CC(C)=CCC[C@@]1(C)C=Cc2c(O)cc(O)c(C(=O)c3ccccc3)c2O1 13403610 VHBOXYDOVCZHPH-QHCPKHFHSA-N 364.441 5.240 0 1 FKAF biogenic Cc1c(C)n([C@H](C)c2ccccc2)c2ncnc(N[C@H](C)c3ccccc3)c12 13756603 PQWKBENBHSNINP-IEBWSBKVSA-N 370.500 5.831 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@]1(O)Oc2cccc(C)c2C1=O 14492179 DATDTYFNUQUNEY-ITAJNLIKSA-N 368.517 6.068 0 1 FKAF O[C@](c1ccc(Cl)cc1)(c1cccnc1)c1cccc(C(F)(F)F)c1 27435574 VAFIUNNEDCNHDT-SFHVURJKSA-N 363.766 5.038 0 1 FKAF CN[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]2C1 27443211 NLOJUKSOUNWUSW-ZQSNEUJVSA-N 360.630 5.183 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1OC 28758483 OZMDDOGXGZKKCP-UHFFFAOYSA-N 369.549 6.229 0 1 FKAF FC(F)(F)c1cc(Cl)c(-n2nncc2-c2ccccc2)c(Cl)c1 28825633 QMZUSVDSLQQUJW-UHFFFAOYSA-N 358.150 5.260 0 1 FKAF CCCC[C@@H]1C[C@H]1[C@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 38179232 KRCJGMGDULOQEL-SYYKKAFVSA-N 355.909 5.566 0 1 FKAF O=C(Nc1ccc(SC(F)(F)F)cc1)Nc1ccnc2ccccc12 45334852 FVISLIIPVDNZBO-UHFFFAOYSA-N 363.364 5.491 0 1 FKAF CCCCCc1cc(NC(=O)NC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 45390790 RKDIXFVBQQPLOX-QZTJIDSGSA-N 370.537 5.782 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1ccc2oc(=O)ccc2c1 84732237 JAASWVRGXJPPHR-WOWYBKFKSA-N 366.501 6.591 0 1 FKAF Cc1cc(O)c2c(c1)O[C@](C)(CC[C@H]1[C@H](C(=O)O)CCCC1(C)C)C=C2 85884670 JXSPLJWXHJTYIW-ZWWNWMABSA-N 358.478 5.172 0 1 FKAF biogenic CCCSc1nc2c3ccccc3nc-2c(O)n1-c1cc(C)cc(C)c1 100705685 GZLLGLCMUXZVKD-UHFFFAOYSA-N 363.486 5.350 0 1 FKAF CCCCN(CC)c1ncnc(Nc2c(C)cc(C)cc2C)c1SC 169310338 PBNKXRIACNMTGR-UHFFFAOYSA-N 358.555 5.494 0 1 FKAF CO[C@@H]1CCC[C@H](c2cc(O)c3c(c2)OC(C)(C)C2=C3C[C@@H](C)CC2)C1 169323074 XGSFJDGYMAHCQS-YQQAZPJKSA-N 356.506 5.809 0 1 FKAF Fc1cccc(-c2cc(NCCCN3CCCCC3)c3ccccc3n2)c1 208042490 XNUAAKMLQLGSGD-UHFFFAOYSA-N 363.480 5.329 0 1 FKAF Cc1cccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586974133 BULWOESYJVPVDP-UHFFFAOYSA-N 356.050 5.608 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(O)c2[nH]1 587072777 WVHNKFLVFPVCJM-SRRLQIGMSA-N 373.283 5.941 0 1 FKAF Cc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1C 587093685 QCNAGHJUCFXTBE-UHFFFAOYSA-N 358.285 5.884 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]3c1ccc(F)cc1 587102933 BSGNCXOWAQZYDP-MRXNPFEDSA-N 365.407 5.663 0 1 FKAF Fc1cc2[nH]c(Cc3ccc(-c4ccccc4)c(F)c3)nc2cc1Cl 587145189 HGUTUPHGYWCTKD-UHFFFAOYSA-N 354.787 5.752 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2cc(C)c(Cl)cc2[nH]1 587241225 RHJGXVLCEQAOPY-UHFFFAOYSA-N 363.848 5.944 0 1 FKAF COc1cc2c3c(c1)O[C@@H](CCCCCCCCCCC(C)C)[C@@H](C2)C3=O 587445512 KLZQHKAZLVHERO-RTWAWAEBSA-N 372.549 6.368 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1C1=CCCCC1)CC2=O 587484574 STFILRIGPVERGL-CVDCTZTESA-N 354.490 5.739 0 1 FKAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccc(Cl)cc2)cc1 587629207 YMQLMVPEKCZJEP-UHFFFAOYSA-N 370.254 7.256 0 1 FKAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)cc1C 587629676 WWBLRBDSPIKMGB-UHFFFAOYSA-N 351.755 5.746 0 1 FKAF O=C(O)c1cccc2c(C(F)(F)F)c(-c3c[nH]c4ccc(F)cc34)[nH]c12 587637477 KBFRKMAVLNHYAL-UHFFFAOYSA-N 362.282 5.172 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(C(C)C)c2c1 587643920 YQTUVCUXVHDOIQ-AWEZNQCLSA-N 359.435 7.491 0 1 FKAF Fc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1F 587784905 VYNKBYQNIUREAD-JYRVWZFOSA-N 362.379 5.591 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC2CCCC2)N1 587812864 LQWIUZRGPDGMRK-SGTLLEGYSA-N 354.307 5.308 0 1 FKAF c1ccc(C[n+]2ccc3cc(-c4ccccc4)nc4c3c2-c2ccccc2-4)cc1 1772617594 IUYNCSIGVMUXBZ-UHFFFAOYSA-N 371.463 5.885 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)nc3c2Cc2c(O)cccc2-3)c1 1857540164 HOEOUMWDZJAJFK-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF O=C(CCCN1CC[C@@]2(c3ccc(Cl)cc3)C[C@H]2C1)c1ccc(F)cc1 1857584505 NIYUXHADMUQBAS-AVRDEDQJSA-N 371.883 5.106 0 1 FKAF CCO[C@H]1CCCc2nc(Nc3ccc(Br)cc3)sc21 1857649678 RKYBZXXKFPSIGO-ZDUSSCGKSA-N 353.285 5.063 0 1 FKAF CC[C@H](c1ccc(Cl)cc1)N1CCC(n2c(O)nc3ccccc32)CC1 1857754812 VQNHHZBHKDMASW-LJQANCHMSA-N 369.896 5.184 0 1 FKAF Cc1cc(OCc2ccc(Cl)cc2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 1857760064 GPYWCWTWXBEVCB-LTBCBRHQSA-N 370.876 5.332 0 1 FKAF CC[C@H](O)C(C)=C[C@H](C)[C@@H](O)C(C)=CC(C)=C[C@H](C)C=Cc1ccccc1 2356537593 YLFWWEOWHPOZJW-MFLYFGCISA-N 368.561 5.943 0 1 FKAF O[C@H](c1ccc(Cl)c(F)c1)c1nc(-c2cccc3ccccc23)c[nH]1 61907060 ALAIFMGIAKZINV-LJQANCHMSA-N 352.796 5.104 0 3 FKAF O=C(Nc1ccccc1)O[C@H]1CCCCC[C@@H]1OC(=O)Nc1ccccc1 16919294 CXEUJQXHHJWTCM-OALUTQOASA-N 368.433 5.185 0 1 FKAF biogenic CSc1ccc(-c2cscc2-c2ccc(S(C)(=O)=O)cc2)cc1 26741697 YWBZGZZNQWUVMQ-UHFFFAOYSA-N 360.525 5.208 0 1 FKAF CN(C)/C(=C1\C(=O)N(c2cccc(Cl)c2)c2ccccc21)c1ccccc1 27441004 ULBBBIGNRGBSTD-DQRAZIAOSA-N 374.871 5.448 0 1 FKAF CCc1ccc(-c2nc3cc(NC(=O)CCc4ccccc4)ccc3o2)cc1 40394497 YYLOJJJBONDHEZ-UHFFFAOYSA-N 370.452 5.629 0 1 FKAF Clc1ccc(COC2(c3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1Cl 45320967 RVSLPYXAWKWRCQ-XEWABKELSA-N 362.300 5.320 0 1 FKAF CCCCC[C@H](C)NCc1coc(-c2ccc(OCC(C)(C)C)cc2)n1 72184821 XQXBSZGGAKXEET-KRWDZBQOSA-N 358.526 5.825 0 1 FKAF Cc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(C)ccc23)c1 73310051 WRJXHBPFOQMRDP-UHFFFAOYSA-N 358.470 5.536 0 1 FKAF Cc1cc(C)c(C2=C(O)C(C)(C)N(OCC3CCCCC3)C2=O)c(C)c1 103197607 HPIXVYOHAZLVOB-UHFFFAOYSA-N 357.494 5.014 0 1 FKAF O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3ccc(Cl)cc3S[C@H]12 169715416 OKJHKQXUWBHPHS-VOJFVSQTSA-N 362.281 5.687 0 1 FKAF CC(C)CCCCCCCCCCCCCCCCCCC[C@H](O)CO 238757373 GBFUJWSPEXCLMP-DEOSSOPVSA-N 370.662 7.408 0 1 FKAF Cc1nc2ccc(O)c3c2c(c1Cc1ccccc1)-c1ccccc1C3=O 586990768 GUDGNCSLGJFTIZ-UHFFFAOYSA-N 351.405 5.051 0 1 FKAF CCc1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586994487 UVEJLJURMFKEQL-UHFFFAOYSA-N 372.449 5.146 0 1 FKAF Clc1cccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)n[nH]2)c1 587068176 KFAYLKJLIFULJM-UHFFFAOYSA-N 363.635 5.580 0 1 FKAF Cc1c(F)ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587077023 PLKBLPIRSAQGCP-UHFFFAOYSA-N 353.784 5.098 0 1 FKAF CCc1c(-c2c(C)n[nH]c2C)nc2cccc3c2c1-c1ccccc1C3=O 587108224 XPEQWKIRWQCZPT-UHFFFAOYSA-N 353.425 5.016 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cc(Cl)cc(Cl)c13)O2 587379834 LHOXWAUOPKUFDW-MRXNPFEDSA-N 361.228 5.072 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(CCc3ccccc3)cc1)O2 587406183 QPCKKJFWNZBMLD-RUZDIDTESA-N 371.480 5.243 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(SC4CCCC4)cc1)[C@@H](C2)C3=O 587453436 SJXMWNUMICQOFH-PGRDOPGGSA-N 366.482 5.219 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OC(C)C)CC2=O 587463146 UYHGIUUFVSUGEW-HXUWFJFHSA-N 374.864 5.492 0 1 FKAF CCCC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587466121 ITUDAHQNCQZRFU-QFIPXVFZSA-N 356.437 5.535 0 1 FKAF CC(C)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587604437 WRZQARACCKQCPG-XUZZJYLKSA-N 374.436 5.393 0 1 FKAF Cc1ccc2oc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 587614995 FCQRMRODHVZQTH-REWPJTCUSA-N 372.376 5.150 0 1 FKAF Fc1ccc2[nH]cc(-c3[nH]c4cc(Cl)c(F)cc4c3C(F)(F)F)c2c1 587630372 ZPBFKWFBQZEORC-UHFFFAOYSA-N 370.708 6.267 0 1 FKAF CCc1[nH]c2ccc([C@H](C)CC)cc2c1Cc1ccc(Br)cc1 587639470 XFKZICTXJSFBTO-CQSZACIVSA-N 370.334 6.597 0 1 FKAF Cc1c(Cl)cccc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656632 HPKSRIDTHNBUCM-UHFFFAOYSA-N 364.807 5.154 0 1 FKAF Cc1ccc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587800651 CBJGFPBNVRAAOH-WYRIXSBYSA-N 373.269 5.002 0 1 FKAF Cc1cccc(C2CC3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)c1 587816701 BTYKDEKFWPZORW-CETSPDHXSA-N 374.297 5.204 0 1 FKAF CCCC1CCC([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587818403 CYQSKLYACCQOHL-OILHFSCHSA-N 368.334 5.770 0 1 FKAF C[C@@]1(c2cccc(OC(F)(F)F)c2)c2c(F)cccc2C[C@H]2CCCN21 963109595 MGJIINCAEOKDKQ-DNVCBOLYSA-N 365.370 5.008 0 1 FKAF Oc1ccc2c(c1)Cc1c(-c3ccccc3O)cc(-c3ccc(F)cc3)nc1-2 1857545325 QQXZAWKXSRFXTO-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CCCCC=CCCCCCCCCCCC[C@]1(O)C=C[C@@H](O)[C@@H](O)C1 2356674201 ZDXBXVVAIFALIO-VJBWXMMDSA-N 366.586 5.437 0 1 FKAF COc1cccc(Nc2nccc3c2cc(-c2cccc(OC)c2)n3C)c1 74386971 ORKADAGBNPJTJD-UHFFFAOYSA-N 359.429 5.001 0 3 FKAF Cc1nc2ccccc2n1Cc1ccc(NC(=S)Nc2ccccc2)cc1 5893049 QMBZZYNACTZEQY-UHFFFAOYSA-N 372.497 5.202 0 1 FKAF c1ccc(-c2c[nH]cc2[C@@H](c2ccc(-n3cccc3)cc2)n2ccnc2)cc1 5939292 ASZIQEBRHUBKFZ-XMMPIXPASA-N 364.452 5.307 0 1 FKAF CC(C)(NC(=O)Nc1cccc2cnccc12)c1ccc(C(F)(F)F)cc1 14973747 SSCRLESHHRUODZ-UHFFFAOYSA-N 373.378 5.310 0 1 FKAF O=C(O)[C@@H](CCC/C=C(/c1cccnc1)c1cccs1)c1ccccc1 26738706 LFYNEAKPAKCFIB-FJZBCQJGSA-N 363.482 5.614 0 1 FKAF CCCC[C@@H](O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C 28389222 GYRHSGNAVIFNKG-MZYLBHOOSA-N 368.496 5.308 0 1 FKAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CSC1 33827333 DCQGVPCGLNZXKV-CABCVRRESA-N 360.563 6.384 0 1 FKAF O=C(C(C(F)(F)F)C(F)(F)F)N(C1CCCCC1)C1CCCCC1 68573843 SISNTGOGDYUEBD-UHFFFAOYSA-N 359.354 5.221 0 1 FKAF biogenic O=C1CCCc2nn(-c3cccs3)c(-c3ccc(Cl)c(Cl)c3)c21 73219067 MWKMYZUOUQGWNW-UHFFFAOYSA-N 363.269 5.427 0 1 FKAF C[C@H]1C[C@@H](Nc2cncc(Oc3cccc4cccnc34)n2)CC(C)(C)C1 82068851 CYQXDVWAQVZYCP-DOTOQJQBSA-N 362.477 5.444 0 1 FKAF CC[C@H](C)Nc1ncc(-c2nc(C)c(C)s2)c(-c2ccc(F)cc2)n1 82164862 LKFSFUMKWMGARV-NSHDSACASA-N 356.470 5.233 0 1 FKAF Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)C[C@H]3CC(=O)O)c1 84636045 STMQJGCAFZYVJO-NRFANRHFSA-N 372.464 5.664 0 1 FKAF O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)nc2c(F)cccc12 96927256 DZILOIXBEUUWJC-UHFFFAOYSA-N 359.356 5.531 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCC 145889214 OUBRUYGMVXZKCY-YNUSHXQLSA-N 369.593 6.991 0 1 FKAF O=C(O)c1ccc2c(c1)nc(Nc1ccc3cc[nH]c3c1)c1ccsc12 167766252 YPPNBRIQXFLMDP-UHFFFAOYSA-N 359.410 5.373 0 1 FKAF CC(/C=C\C=C(C)\C=C\[C@H]1[C@H](C)CCCC1(C)C)=C/CN1CCOCC1 169300305 JGEUGBGGYLQOTH-NDCUPTDSSA-N 357.582 5.786 0 1 FKAF CC(C)CCC[C@@H](C)CCC[C@H](C)/C=C\CC/C=C\CCCC(=O)O 169636536 GAAXOKKROCNDSI-LXKYDEDOSA-N 350.587 7.403 0 1 FKAF CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C(/F)c1c(C)cc(OC)c(C)c1C 196096730 OKKRRMNKKAUTKF-LUXNZNIGSA-N 372.480 5.943 0 1 FKAF C=C1CCC=C(C)CC[C@H](/C(=C\CC=C(C)C)COC(C)=O)[C@H]1C(=O)OC 253665326 ISIHCFKJFHDLCQ-OVOQEFAVSA-N 374.521 5.314 0 1 FKAF CC(C)[C@H]1CC[C@H](C)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991375 UMVBIKVKVCKFQC-UONOGXRCSA-N 357.453 5.789 0 1 FKAF CC/C=C/CC1=C(C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992180 YPBRSUPPGFDLEP-SNAWJCMRSA-N 367.448 5.838 0 1 FKAF FC(F)(F)c1cccnc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587108062 GRWMVNDPADGOLY-UHFFFAOYSA-N 369.346 5.223 0 1 FKAF Fc1cc(F)c2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2c1 587129233 UOZWEHDYOOHQAV-UHFFFAOYSA-N 363.339 5.569 0 1 FKAF Fc1cc(F)c2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2c1 587150794 SPAGGCRUAVQJEU-SFHVURJKSA-N 353.347 5.182 0 1 FKAF Cc1cc(Br)c2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2c1 587153154 WPBDPFHZYUVVLF-QWRGUYRKSA-N 363.205 5.183 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587161140 KMXOPVVBKPKYOQ-QWRGUYRKSA-N 370.733 5.525 0 1 FKAF COc1cccc(-c2cc([C@@H]3C[C@H]4CC[C@@H]3C4)nc3c2oc2ccccc23)c1 587365733 OJURRUORRQLPRH-XAUMDUMWSA-N 369.464 6.560 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)cc1C(F)(F)F)CC2=O 587463302 WHSLVYQVUHDANE-KRWDZBQOSA-N 368.326 5.209 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1c1ccc(Cl)cc1)CC2=O 587463597 WAZMPFOHRIIJLK-GCJKJVERSA-N 370.876 5.670 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1N1CCCCC1)CC2=O 587478092 ZVENTMBTRPYMHM-QFIPXVFZSA-N 365.473 5.042 0 1 FKAF CC(C)(C)Oc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521738 JVTWFACCZFFBQU-OAQYLSRUSA-N 350.458 5.449 0 1 FKAF Cc1ccc([C@]2(C3CCCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526134 RBQRWLHXHPJADO-AREMUKBSSA-N 374.524 6.315 0 1 FKAF Cc1cccc(OCc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1C 587564500 UMXMRAWDLWWPGQ-UHFFFAOYSA-N 352.381 5.371 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)cc2F)[nH]c2ccc(F)c(Cl)c12 587629418 PHCAKPRLXHXQLP-UHFFFAOYSA-N 370.182 5.597 0 1 FKAF CCCCc1ccc(-n2c(OCC)ccc2OCC)c(Br)c1 587937740 UNJBSIFMJPROJY-UHFFFAOYSA-N 366.299 5.380 0 1 FKAF CCC[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)C(C)C 587954779 FSHJUYPNZKHVIF-SECBINFHSA-N 374.120 5.628 0 1 FKAF CC(C)(C)c1ccc(-n2ncc3c2CC(C)(C)c2c-3[nH]c3ccccc23)cc1 621478535 XKNQMGFBZRVYST-UHFFFAOYSA-N 369.512 6.152 0 1 FKAF Cc1ccc([C@@H]2[C@@H]3C(=NN2C)c2ccccc2O[C@@H]3c2ccccc2)cc1 653884784 XXNJTPCDXLNPIE-QPTUXGOLSA-N 354.453 5.136 0 1 FKAF CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cc3c(Cl)cc(Cl)cc3[nH]1)C2 1772623496 CGYLRHPALQBQAM-KEMVTONXSA-N 365.304 5.419 0 1 FKAF CCC(C)(C)c1ccc(OCCCCCCCCN2CCC[C@@H](C)C2)cc1 1857538281 GBEKSZVQFLMGCF-JOCHJYFZSA-N 373.625 6.826 0 1 FKAF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@]12C 2356516473 YWASHUVXUAAFLL-KDFPMROASA-N 372.637 6.855 0 1 FKAF C[C@H]1CN=C(c2ccc(Cl)cc2)c2c3ccc(C(F)(F)F)cc3nn21 206061403 WUWKLKAEUHFPDV-JTQLQIEISA-N 363.770 5.121 0 3 FKAF CCC(=O)c1cccc(-c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)c1 13606779 CELAAZUTSNRGKM-QGZVFWFLSA-N 361.485 5.719 0 1 FKAF O=C(CC1CCN(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 13729889 JWAIMOQKOOQZSI-UHFFFAOYSA-N 361.407 5.190 0 1 FKAF O=C(c1cccc(F)c1)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 28344831 SEGDRXFKLUREOK-UHFFFAOYSA-N 366.339 5.276 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820963 UBBPXHZUVZMTRS-CJIKWYIWSA-N 372.549 5.347 0 1 FKAF Fc1ccc(-c2[nH]cc(C3=CCN4CCCC[C@@H]4C3)c2-c2ccncc2)cc1 33983767 XDGNTQXBOQQVHL-OAQYLSRUSA-N 373.475 5.524 0 1 FKAF CCCC1(CCC)C(=O)N(c2ccc(Cl)cc2)C(=O)c2ccccc21 40935047 CISKBKRHBBMINT-UHFFFAOYSA-N 355.865 5.365 0 1 FKAF CCCCCCOc1cc(CCC(=O)C[C@H](O)CCCCC)ccc1O 85629268 ZQFFGHJYPOBVPT-LJQANCHMSA-N 364.526 5.184 0 1 FKAF biogenic,in-vitro CC1=C(/C=C/c2ccccc2)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 103180990 WLAGREJXTXDYJA-BUHFOSPRSA-N 374.509 5.404 0 1 FKAF O[C@@H](C[C@@H]1CCCCN1)c1cc(-c2ccccc2)nc2c(Cl)cccc12 169334660 OSIKORCARZAAQO-KKSFZXQISA-N 366.892 5.121 0 1 FKAF CC/C=C/C/C=C/C/C=C\C/C=C/C/C=C\C/C=C/CCC(=O)NCCO 169336395 GEEHOLRSGZPBSM-OEQDIZBLSA-N 371.565 5.573 0 1 FKAF CC(C)CCC[C@H](C)CCC[C@H](C)/C=C\CC/C=C\CCCC(=O)O 169636537 GAAXOKKROCNDSI-HWTLVYHSSA-N 350.587 7.403 0 1 FKAF CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@H](c2ccc(Cl)cc2)C1 203834282 NUCGZDHKOKKLHY-KRWDZBQOSA-N 356.853 5.392 0 1 FKAF CCc1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1 299829318 LOXOBWXVWGOJMW-UHFFFAOYSA-N 364.452 6.084 0 1 FKAF Cc1nc(C2CC2)sc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587013005 VKQVUSZAVUHLTC-UHFFFAOYSA-N 357.788 5.544 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587069884 LTAGBSOIYYJJIC-MRVPVSSYSA-N 369.198 5.524 0 1 FKAF Fc1cc(Cl)cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587076027 HHBDUUXULKRSHB-UHFFFAOYSA-N 358.203 5.738 0 1 FKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(F)c(F)c2[nH]1 587148380 CIEYGBGIYSCCHE-GOSISDBHSA-N 353.347 5.182 0 1 FKAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1F 587150819 FLQQJUGVKXWLGV-IRXDYDNUSA-N 362.379 5.905 0 1 FKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(cnc4ccccc43)[nH]2)cc1 587158551 OEWAGKKOUAXEOL-UHFFFAOYSA-N 367.383 5.397 0 1 FKAF Nc1c(-c2nc3cc(Cl)cc(Br)c3[nH]2)ccc2ccccc12 587254044 KIEVPTZGJZAODA-UHFFFAOYSA-N 372.653 5.381 0 1 FKAF Cc1ccc2c(Cl)c(C(=O)c3coc4ccc(Cl)cc34)sc2c1 587278444 GXICQIJAVAFBDX-UHFFFAOYSA-N 361.249 6.494 0 1 FKAF COc1cccc(-c2cc(C[C@@H](C)CC(C)C)nc3c2oc2ccccc23)c1 587364495 BTULBANWTPJTMD-KRWDZBQOSA-N 373.496 6.881 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(CC)oc3ccccc13)CC2=O 587476605 CYJGTXXLWAROHL-FQEVSTJZSA-N 350.414 5.360 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(C)C)ccc1OCC)CC2=O 587480738 PCACWHZQKHDEAJ-JOCHJYFZSA-N 368.473 5.573 0 1 FKAF O=C1C[C@]2(CCSc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 587502180 BSKBRIWPRKCMDQ-NRFANRHFSA-N 354.446 5.061 0 1 FKAF O=C1C[C@@H](c2c[nH]c3cccc(Cl)c23)Oc2c1ccc1c2CCCC1 587503885 ZVNWEPLVDXHKIF-IBGZPJMESA-N 351.833 5.407 0 1 FKAF COc1cc(C)ccc1OCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587564516 UUXYOCBIMFOHCF-UHFFFAOYSA-N 374.440 5.038 0 1 FKAF CCc1[nH]c2ccc([C@@H](C)CC)cc2c1-c1ccccc1Br 587639422 VPKPKIGGQJPYIK-ZDUSSCGKSA-N 356.307 6.673 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccc(Cl)cc2)N1 587695861 JQFLRPKDFOXXFK-BTDLBPIBSA-N 368.677 5.060 0 1 FKAF Clc1cccc(-c2csc(C(c3ccccc3)c3ccccc3)n2)c1 587920707 NNFCVZQVJVPENI-UHFFFAOYSA-N 361.897 6.644 0 1 FKAF CCCCNC(=O)c1c(N)sc(-c2ccc(Cl)cc2)c1CCCC 1772633529 VPKMHIKZKYMKJH-UHFFFAOYSA-N 364.942 5.523 0 1 FKAF COc1ccc2cc(-c3cn([C@H]4CCCCc5ccccc54)nn3)ccc2c1 1857534215 QJYNOGXWWHAEJH-DEOSSOPVSA-N 369.468 5.423 0 1 FKAF CCO[P@@](=O)(CC)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 1911577340 YYBFEFRSPAEKQD-SANMLTNESA-N 365.369 5.608 0 1 FKAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=C5C=CC=C5)CC[C@]4(C)[C@H]3CC[C@]12C 2356488999 GNDKEWBKRBOJSG-STZAGRCGSA-N 362.557 6.577 0 1 FKAF FC(F)(F)c1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1 2382245701 ARYBYBIJBNDKFP-UHFFFAOYSA-N 352.359 5.770 0 1 FKAF CCOC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 13642387 SFFXXTXYSRSGGB-UHFFFAOYSA-N 361.228 5.023 0 1 FKAF Cc1c(C)c2c(c(C)c1N)C[C@](C)(CSc1nc3ccccc3s1)O2 13652086 XKSUANJVVUGPKT-HXUWFJFHSA-N 370.543 5.290 0 1 FKAF c1ccc2c(c1)CCC[C@H]2CCCCCN1CCN(C2CCCCC2)CC1 22931120 GWBVIQHDYZTFCX-JOCHJYFZSA-N 368.609 5.617 0 1 FKAF CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 27719391 MDNFXHVVRABLPD-UHFFFAOYSA-N 374.871 6.463 0 1 FKAF O=S(=O)(c1ccc(Cl)cc1)C1(c2cccc(F)c2)CCCCC1 28520951 DXBXXRSYTKEJHT-UHFFFAOYSA-N 352.858 5.112 0 1 FKAF CCc1cccc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)c1 36124531 PWYIIZLNUOZWEQ-UHFFFAOYSA-N 366.482 5.849 0 1 FKAF O=C(c1ccc(-c2ccccc2Cl)cc1)N(CC1CC1)C[C@@H]1CCCO1 40898235 NCHVKNFAPCWDJI-IBGZPJMESA-N 369.892 5.038 0 1 FKAF CCCCCCN(CCCCCC)C(=O)Cc1nc(-c2ccccc2)no1 72118319 GYUKBLRCSXOEGQ-UHFFFAOYSA-N 371.525 5.268 0 1 FKAF CC[C@H](C)c1nc2c(C)c3c4c(c2o1)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C 72122863 VLFIFSPZLZAPBS-BEIYGRMHSA-N 365.561 7.720 0 1 FKAF Fc1ccccc1-c1nc(CN(c2ccccc2)C2CCCCC2)co1 72182131 CJVNLIYTVNOACY-UHFFFAOYSA-N 350.437 5.820 0 1 FKAF CCCc1nc2c(NCc3cccc(Cl)c3)ncnc2n1C[C@@H](C)CC 82181364 KOBGWLSMKXUKRD-AWEZNQCLSA-N 371.916 5.090 0 1 FKAF CC1(C)CC(NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)CC(C)(C)N1 84710135 XHEUJDVPIHLDLW-UHFFFAOYSA-N 370.581 5.075 0 1 FKAF Oc1ccc(-c2cc(-c3cccnc3)nc(-c3cccc(Cl)c3)c2)cc1 95554928 SAQADCRBJVHLBP-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF Cc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc4ccccc4c3)C2)cc1 95581785 MDZUGYWTXFSAGX-AREMUKBSSA-N 362.476 6.504 0 1 FKAF Cc1cc(C)c(Oc2cc(Nc3ccc(Cl)cc3)nnc2Cl)c(C)c1 95602256 IHJGQFZTKDAKIK-UHFFFAOYSA-N 374.271 6.245 0 1 FKAF Cc1ccc(Cc2cnc(-c3cccc(Cl)c3)c(C)c2)c(C(=O)O)c1 96173364 LUNUHCGCKOEIFC-UHFFFAOYSA-N 351.833 5.308 0 1 FKAF CO[C@@]1(c2ccccc2)C=CC(C2CCCCC2)(C2CCCCC2)OC1 103215745 YHUMOHBAVZRGHY-QHCPKHFHSA-N 354.534 6.014 0 1 FKAF CCc1c([C@H](C)c2c(F)cccc2Cl)nc(S[C@H](C)CC)[nH]c1=O 169352218 HGXUUMSVWSUIFS-GHMZBOCLSA-N 368.905 5.167 0 1 FKAF O=C(CCc1ccccc1)C(Cc1ccccc1)C(=O)CCc1ccccc1 203834543 SOXMKBZPERXHFN-UHFFFAOYSA-N 370.492 5.249 0 1 FKAF Cc1c(F)ccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586976176 DTOFMEKPBPKYDA-UHFFFAOYSA-N 369.621 5.005 0 1 FKAF FC(F)(F)Oc1cccc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587027732 IJCJWTZVXOPFJB-UHFFFAOYSA-N 361.348 5.252 0 1 FKAF CC(C)(C)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587075730 JRAGYIAKLCHNRL-FQEVSTJZSA-N 367.924 5.851 0 1 FKAF Cc1ccc2c3c(c(C4CC4)c(-c4ccccc4)nc13)-c1ccccc1C2=O 587099672 RQRFHSHXIMJFRQ-UHFFFAOYSA-N 361.444 6.299 0 1 FKAF COc1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587128243 HWXMHOBQZGIPIE-UHFFFAOYSA-N 357.385 5.300 0 1 FKAF COc1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cc1C 587157618 AXAFTEMTMSZNAB-UHFFFAOYSA-N 372.403 5.025 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(Cl)nc3[nH]2)c1 587159249 VNAMOHNKDNJXMO-UHFFFAOYSA-N 367.811 5.017 0 1 FKAF CCCc1c(C(=O)c2coc3ccc(Cl)cc23)cnn1-c1ccccc1 587276729 SLLYYBPWPCUZFZ-UHFFFAOYSA-N 364.832 5.455 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1ccccc1)(c1ccccc1)O2 587404066 UJJWUFZZZQZFHH-DEOSSOPVSA-N 357.453 5.071 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(C)(C)C)ccc1Cl)CC2=O 587459982 JTMACNFRKNNBOJ-FQEVSTJZSA-N 372.892 6.002 0 1 FKAF C(=C\c1ccccc1)\COCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587781337 TZLBZBRAVZORJH-YFHOEESVSA-N 372.493 5.944 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2)cc1O 587787901 ZFCNKLWMQUEUIU-UHFFFAOYSA-N 370.452 5.490 0 1 FKAF C[C@H]1CC[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587817004 HEOZIWIMAYMAJN-MRRFBWAASA-N 374.297 5.263 0 1 FKAF CC(C)[C@@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587847334 KMGGRWLGMIGPAF-DIFFPNOSSA-N 368.315 5.084 0 1 FKAF COc1cccc(C2(c3nc4cc(Cl)nc(Cl)c4[nH]3)CCCC2)c1 587929940 ASUQSPZYPJIDSG-UHFFFAOYSA-N 362.260 5.133 0 1 FKAF COc1ccc(C2(c3nc4ccc(F)c(C)c4[nH]3)CC3(CCC3)C2)cc1 587936793 ZMYIVBIBRIJRAU-UHFFFAOYSA-N 350.437 5.269 0 1 FKAF O=C(/C=C/c1ccccc1)n1c(-c2ccc(Cl)cc2)nc2ccccc21 653702288 OXQMPUBKBBUVQQ-XNTDXEJSSA-N 358.828 5.710 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccc(C)cc1)c1ncccc1C 963243874 TZXYBTSKPGYFMB-HFZDXXHNSA-N 370.540 5.647 0 1 FKAF CC(C)[C@H](C)C=C[C@H](C)[C@H]1CC=C2c3ccc4ccccc4c3CC[C@@]21C 2356711008 DBRICIKZTYJLQL-WBTOARMFSA-N 358.569 7.680 0 1 FKAF CC[C@@H]1Oc2c(-c3ccc(O)cc3)cnc(O)c2[C@@H]2[C@H](C)C[C@H](C)C[C@]12C 2356734253 ZUJBUMRATOLVJT-UMMVFSIISA-N 367.489 5.487 0 1 FKAF Cc1cc(Cl)ccc1[C@H](O)c1ncc(-c2ccccc2C(F)(F)F)[nH]1 61927373 VDNWRQXHOUPWGV-INIZCTEOSA-N 366.770 5.139 0 3 FKAF O[C@H](C[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1660728 TVYRTICGBVJCSU-LEWJYISDSA-N 357.280 6.249 0 1 FKAF CCCCCCc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 5883009 IWRRIZAWPMWTEI-UHFFFAOYSA-N 352.507 5.068 0 1 FKAF CC1=C(CC/C(C)=C/CC/C(C)=C/CCC2=CCOC2=O)C(C)(C)CCC1 14559447 JNEMQZQEAUFPOT-CWGBCDKESA-N 370.577 7.229 0 1 FKAF COc1ccc(O)c(OC)c1CC1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C 29571657 MITSAYBNJONOCW-NZQKXSOJSA-N 358.522 5.895 0 1 FKAF CCCN1[C@H]2CC[C@@H]1CC(=CCOC(c1ccccc1)c1ccccc1)C2 73198832 MLWQUJZYYJILHS-PSWAGMNNSA-N 361.529 5.756 0 1 FKAF CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccncc2)cc1 84708292 SJMXTLCSHCXWMT-LJQANCHMSA-N 369.512 5.830 0 1 FKAF CN1[C@@H]2CC[C@@H]1CC(CCO[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 100937800 GCAHRQVSTZKWEH-ZLNRFVROSA-N 369.936 5.709 0 1 FKAF Clc1ccc(Br)cc1-c1nc2cc3ccccc3cc2[nH]1 586979783 BAWLJHVWWIRKIF-UHFFFAOYSA-N 357.638 5.799 0 1 FKAF CSC(=Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)SC 586993901 LIUQZXWYPBURCF-UHFFFAOYSA-N 365.479 5.176 0 1 FKAF COc1cc(N)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586997589 SYZQCLGYBXSYOS-UHFFFAOYSA-N 366.420 5.012 0 1 FKAF COc1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1C 587050260 GXDVIALLRITRPK-UHFFFAOYSA-N 373.239 6.114 0 1 FKAF Cc1cncc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587051024 WQKMFJCLAJITIW-UHFFFAOYSA-N 369.855 6.407 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(Cl)s4)nc13)-c1ccccc1C2=O 587101295 FDFCDCTUTWWSGL-UHFFFAOYSA-N 361.853 6.137 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc(Cl)ccc3F)nc3cccc1c23 587104527 YBMQNBYRTZMDSI-UHFFFAOYSA-N 359.787 5.906 0 1 FKAF FC(F)(F)Sc1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1 587112123 HBJUSFAZCQPQND-UHFFFAOYSA-N 362.298 5.861 0 1 FKAF COc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1F 587114569 UNXUASMNTCIFQC-JTQLQIEISA-N 352.331 5.076 0 1 FKAF CCc1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 587129427 JUFALHATOBYKHP-ZETCQYMHSA-N 374.769 5.460 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](Cc1ccccc1)CC3 587207200 JRLJDDBLQYSEJL-QGZVFWFLSA-N 361.444 5.719 0 1 FKAF COc1cccc(-c2cc(-c3cncn3C)nc3c2oc2ccccc23)c1 587362341 HSGPHSHICPVRCN-UHFFFAOYSA-N 355.397 5.057 0 1 FKAF COc1cccc(-c2c(CCC(=O)C3CC3)cnc3c2oc2ccccc23)c1 587365784 OZYYRFXWEXCJJF-UHFFFAOYSA-N 371.436 5.568 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(OCC)c(C)c1)CC2=O 587480119 NJOHNRDBYQRCBJ-FQEVSTJZSA-N 354.446 5.067 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccc(O)cc3)cc2)Oc2c1ccc1c2CCCC1 587529400 BICFMZHTFPCBLX-XMMPIXPASA-N 370.448 5.645 0 1 FKAF CC(C)C[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604530 UTZKANKRCOKUHK-LERMDLETSA-N 366.457 5.329 0 1 FKAF Cc1[nH]c2c(C(=O)O)cccc2c1[C@@H]1CCCCCN1C(=O)OC(C)(C)C 587638967 LKRIRGUDPUHAQD-INIZCTEOSA-N 372.465 5.027 0 1 FKAF CCCCC/C=C\[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814324 HBBCEEDPNDYNEB-OLKUVTFQSA-N 354.307 5.474 0 1 FKAF CCC[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(C)C 587955646 RYHMZEUNCIYAFY-SECBINFHSA-N 363.221 5.884 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccc(F)cc1Cl)C1CC1 963225819 GGVGPUBXICOHPO-IVZQSRNASA-N 357.900 5.789 0 1 FKAF Oc1ccc2c(c1)[C@@H](c1ccc(-c3ccc(F)c(Cl)c3)cc1)NCC2 963350338 AXJGLFRKWYCHOR-OAQYLSRUSA-N 353.824 5.087 0 1 FKAF O=C(Nc1ncc(Cc2csc3ccccc23)s1)C1CCCCC1 1857757516 VFELNKJGTMQGJV-UHFFFAOYSA-N 356.516 5.467 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(=O)c1ccc(O)cc1O 2356569489 MPFBSHWWHMIGCL-UHFFFAOYSA-N 356.506 6.480 0 1 FKAF CC[P@@](=O)(OC)c1ccc2nc(-c3ccc(F)cc3C(F)F)oc2c1 2382259993 CYXSRULTMQSCOR-RUZDIDTESA-N 369.279 5.141 0 1 FKAF COc1ccc(Nc2nccc3[nH]c(-c4ccsc4)cc23)c(OC)c1 75414118 KAGAKVMBFBRYBF-UHFFFAOYSA-N 351.431 5.052 0 3 FKAF O=C1CS[C@@H](c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1Cl 1634738 ZVOOSKBMTOEWQD-KRWDZBQOSA-N 363.269 5.253 0 1 FKAF CC(C)CS[C@H](CCC/C=C(\c1ccccc1)c1cccnc1)C(=O)O 26741108 NSRWQNKXXORHDV-FVIRYLMMSA-N 369.530 5.526 0 1 FKAF O=C(O)[C@@H](CCC/C=C(\c1cccnc1)c1cccs1)c1ccccc1 26742702 LFYNEAKPAKCFIB-FHTAPLDASA-N 363.482 5.614 0 1 FKAF Oc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F 28710973 DERBTHHKXLGQCV-UHFFFAOYSA-N 372.321 5.014 0 1 FKAF Cc1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(C)cc3)C2)cc1 33421989 SHKIDIPLADPFRX-MIWMXLOXSA-N 352.481 6.324 0 1 FKAF Cc1csc(Nc2ncnc3ccc(Oc4ccc(F)cc4)cc23)n1 45285573 GXRVZYKFJKLQIF-UHFFFAOYSA-N 352.394 5.070 0 1 FKAF CSc1ccc(CN(Cc2ccc(C)cc2)c2ccc3nc[nH]c3c2)cc1 72317634 YDLXZKRNUMZZGW-UHFFFAOYSA-N 373.525 5.800 0 1 FKAF CCc1cnc(-c2cnc(N[C@H](C)CC)nc2-c2ccccc2C)s1 82177589 RLRNMKGTOSHZAZ-CQSZACIVSA-N 352.507 5.348 0 1 FKAF Cc1sc(-c2ccc(Cl)cc2)nc1[C@@H]1C(=O)CC2(CCCCC2)C1=O 98081918 SCFSFPDUDOHUHY-INIZCTEOSA-N 373.905 5.348 0 1 FKAF CC[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(C)cc1 100705253 RRLQYBHZLURRJQ-AWEZNQCLSA-N 363.486 5.430 0 1 FKAF O=C(O)C[C@@H]1CCCN1c1ccc(Oc2ccccc2-c2ccccc2)cc1 116590370 VCRBEUNVVAEWLK-FQEVSTJZSA-N 373.452 5.589 0 1 FKAF CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C 255222229 KBCDSNLTAKWEDU-FPZOOWIRSA-N 372.637 6.855 0 1 FKAF CC[C@H](C)CC/C(C)=C/c1c(C)c(O)cc2c1[nH]c1c(O)ccc(C=O)c12 299839415 RKWPODZUNRXLLO-LFGHMXSPSA-N 365.473 6.083 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c2)cc1 586880278 MLGBYAVVSOEYLL-UHFFFAOYSA-N 369.468 5.792 0 1 FKAF C=Cc1ccc(-c2nc3cc(Oc4ccc(C(=O)OC)cc4)ccc3[nH]2)cc1 586881073 KKHFGWZLFMCEIF-UHFFFAOYSA-N 370.408 5.452 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2ccc(Br)c(O)c2[nH]1 586884737 YGUREMAKUKRGGG-UHFFFAOYSA-N 353.219 5.160 0 1 FKAF Cc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1Cl 587012393 IXPCFEIRBSIHSC-UHFFFAOYSA-N 368.687 5.288 0 1 FKAF Fc1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1Br 587027412 DUJYKMHJYVZOPA-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF Fc1c(Cl)cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1F 587079318 CGOHEDXDTWLICP-UHFFFAOYSA-N 352.171 5.151 0 1 FKAF Clc1cccc2c(-c3nc4cnccc4[nH]3)cc(-c3ccccc3)nc12 587082857 VXPOJZZOTOWOFT-UHFFFAOYSA-N 356.816 5.494 0 1 FKAF COc1cccc(-c2cc(-c3ccncc3C)nc3c2oc2ccccc23)c1 587362145 CGOSNKYXPPVVQG-UHFFFAOYSA-N 366.420 6.027 0 1 FKAF CCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCC(C)C 587365689 NXCOQBZSWLQYFZ-UHFFFAOYSA-N 373.496 6.808 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)cc1Cl)CC2=O 587462593 PHEZKLCFKXLVHX-KRWDZBQOSA-N 351.229 5.358 0 1 FKAF O=C1C[C@@H](c2ccc(-c3cccc(F)c3)nc2)Oc2c1ccc1c2CCCC1 587502168 IHUHSUCAQJTBSS-QHCPKHFHSA-N 373.427 5.473 0 1 FKAF Cc1ccc([C@@]2(C3CCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587532292 KULRNKUTHRLUAE-QHCPKHFHSA-N 350.458 5.518 0 1 FKAF O=C(c1cccc2ccccc12)c1c(C(F)(F)F)[nH]c2cccc(F)c12 587633586 HPCMEBNDRDDBNI-UHFFFAOYSA-N 357.306 5.710 0 1 FKAF Clc1ccc(-c2cc(-c3ccc(-n4cccc4)cc3)on2)c(Cl)c1 653803295 OWINAFVXIAXWCK-UHFFFAOYSA-N 355.224 6.106 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1c1cccc(Oc2ccccn2)c1 963226158 GRBKORCTNOMSAF-HOYKHHGWSA-N 358.485 5.620 0 1 FKAF CC1(C)[C@H]2CC=C(CCOc3ccc4c5c(c(=O)oc4c3)CCC5)[C@@H]1C2 1772618015 VJAQUSWMMBJBDF-YWZLYKJASA-N 350.458 5.043 0 1 FKAF O=c1c2cc(-c3ccnc4ccccc34)ccc2ncn1C1CCCCC1 1857651109 RABDRCWAVFBAEA-UHFFFAOYSA-N 355.441 5.117 0 1 FKAF CC(=O)O[C@H](CC(C)=CC(=O)O)[C@]1(C)[C@@H](C)CC=C2[C@@H]1CCCC2(C)C 2356378637 RPDYJAJHHFYDMP-FTFYGEEPSA-N 362.510 5.138 0 1 FKAF Cc1ccc([C@]2(C)CCC(=CBr)[C@H]2C)cc1Br 2356802057 QZOZKGBLDKKGGO-IAQYHMDHSA-N 358.117 5.724 0 1 FKAF CN1CCC(C2=Nc3cc(Cl)ccc3Nc3ccccc32)=CC1(C)C 2382245812 JYRJVXUHYYMJNJ-UHFFFAOYSA-N 351.881 5.558 0 1 FKAF CC1(C)OC(=S)N(c2ccccc2)[C@@]12C=Cc1cc3ccccc3cc1O2 1858538 FSEHWEMHYLMOFB-HSZRJFAPSA-N 373.477 5.542 0 1 FKAF COc1cc(C(=O)O[C@@H]2CC(C)=C3CC=C(C)[C@@H]3C[C@@H]2C(C)C)ccc1O 5645189 YDLFKPPITJZFOQ-SVFBPWRDSA-N 370.489 5.275 0 1 FKAF biogenic CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(CC(F)(F)F)c3c2C1 13738698 LKUMKJQSYINUSG-MRXNPFEDSA-N 352.444 5.252 0 1 FKAF C[C@H](NC1=NCCCCC1)c1ccc(OCCCc2ccccc2)cc1 39369512 VYGUDLUQVGFUDT-IBGZPJMESA-N 350.506 5.321 0 1 FKAF CCOC(=O)C1=C(C)Nc2ccccc2S[C@@H]1c1ccccc1Cl 43020603 YAJDXFSCFGRYET-GOSISDBHSA-N 359.878 5.436 0 1 FKAF COc1cccc2c1CCC[C@@H]2OCCN1CCC(C2CCCCC2)CC1 45261980 KLNBYXPVESPEMQ-DEOSSOPVSA-N 371.565 5.382 0 1 FKAF CC(C)Sc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 45322605 PEMJBGWIXSBYQD-QRWLVFNGSA-N 363.954 5.095 0 1 FKAF C[C@]1(CCCCCCCCCCc2ccccc2)C[C@]2(C)OC(=O)C[C@@H]2O1 82047635 PGZGTNDHESKDJB-XWGVYQGASA-N 372.549 5.993 0 1 FKAF CC(C)c1cccc(Nc2nnc([C@@H](O)c3ccccc3Cl)s2)c1 82082092 OXXXMTZUEQHCTK-INIZCTEOSA-N 359.882 5.140 0 1 FKAF CCN(CC)CC[C@H](C)COc1c(Cl)cc(Cl)c2ccc(C)nc12 95593241 FHOXBULBLFHKEJ-ZDUSSCGKSA-N 369.336 5.597 0 1 FKAF O[C@@]1(C(F)(F)F)CCCc2c1[nH]c1cc(Cl)c(Cl)c(Cl)c21 118719612 QGJJANJFBJTWCT-LBPRGKRZSA-N 358.574 5.214 0 1 FKAF CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 141897968 BWJSTRWOPPBMEX-ABVATSDPSA-N 363.545 6.053 0 1 FKAF CSc1cc(C(=O)O)cc(NCc2ccccc2)c1Oc1ccccc1 169341371 GLFFRVBXQHGTCO-UHFFFAOYSA-N 365.454 5.511 0 1 FKAF Cc1cccc(-c2nc3ccc(Nc4ncnc5ccccc45)cc3[nH]2)c1 299833737 WFXWCDVGMKXBOR-UHFFFAOYSA-N 351.413 5.225 0 1 FKAF O=C1[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]2[C@H]3CC[C@@H](C3)[C@@]12N1CCCC1 299849686 RGRHFPAVKJNGTG-RMZJVVRTSA-N 371.524 5.017 0 1 FKAF CC(C)(C)c1ccc(Cc2nc3cc(-c4ccccc4O)ccc3[nH]2)cc1 299851692 IKGKVFUULCDAJL-UHFFFAOYSA-N 356.469 5.824 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(Br)ncc2[nH]1 586878375 GFKPRLQPKCJPAM-UHFFFAOYSA-N 364.246 5.363 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc(F)cc(F)c3)nc3ccc(O)c1c23 586988718 OOXZHNXQOQFZBR-UHFFFAOYSA-N 359.331 5.097 0 1 FKAF COc1cccc(-c2ccc(-c3nc4c(C)nc(C)cc4[nH]3)c(Cl)c2)c1 587051919 GPCWEIQQZXTKPK-UHFFFAOYSA-N 363.848 5.571 0 1 FKAF Fc1ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2c1 587113279 GJILTANSXVHNDM-UHFFFAOYSA-N 372.321 6.180 0 1 FKAF N[C@@H](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)c1cccc2ccccc12 587258689 IVDADUNTYIZMKL-INIZCTEOSA-N 356.256 5.265 0 1 FKAF COc1cccc(-c2cc(CCOC(C)C)nc3c2oc2ccccc23)c1 587363711 UBCSPAAQAIDAAG-UHFFFAOYSA-N 361.441 5.624 0 1 FKAF CC(C)CSC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370136 UIJRJWTWJBOGED-PZJWPPBQSA-N 374.477 5.038 0 1 FKAF CC(C)(C)SC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370162 UWOFMOKWYYTSCO-GHTZIAJQSA-N 374.477 5.181 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3noc(-c4ccccc4)c3c1)O2 587395306 PONGQXIDXQRJOE-OAQYLSRUSA-N 370.408 5.092 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc(C)c3)o1)CC2=O 587480700 KNFRXTXFXQDNGR-JOCHJYFZSA-N 362.425 5.620 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)c(C(C)C)c1)CC2=O 587482452 TXTNRDOZPHNCDY-JOCHJYFZSA-N 368.473 5.573 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(CC/C=C(/C)CCC=C(C)C)CC2=O 587488768 LZEDMSNOACSJLW-IDJAJCJQSA-N 370.533 6.542 0 1 FKAF O=C1C[C@H](c2c(O)ccc(Cl)c2Cl)Oc2c1ccc1c2CCCC1 587505996 NBQOIWXDDDOVQV-MRXNPFEDSA-N 363.240 5.284 0 1 FKAF CCCCCC[C@@]1(CCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601196 RJCSECOTTLSFDF-NFBKMPQASA-N 368.473 5.863 0 1 FKAF O=C(c1cccs1)c1c(C(F)(F)C(F)(F)F)[nH]c2cccc(F)c12 587633752 KXZMJSOADOVZMY-UHFFFAOYSA-N 363.282 5.254 0 1 FKAF CCCCC/C=C\CC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817495 CPQPTDIDXYAKJV-DASIODGOSA-N 368.334 6.080 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2C2CCCC2)N1 587818140 CBOFARBLFMRRPV-XFHNUULXSA-N 366.318 5.308 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2c2ccccc2)N1 587822439 KKDGCZGOMOKSFU-JOTOCRJQSA-N 374.297 5.285 0 1 FKAF c1ccc2oc(-c3csc(Nc4ccc(-c5cnco5)cc4)n3)cc2c1 621429260 ROFJZIFDVSSUOQ-UHFFFAOYSA-N 359.410 5.955 0 1 FKAF Cc1cccc([C@@H](C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1 653673709 NEQPPQAZECJOCJ-MRXNPFEDSA-N 357.457 5.988 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(C)(C)C)c1ccnc(Cl)c1 963241596 NAQMHUOSPVERTR-UZUQRXQVSA-N 370.968 6.071 0 1 FKAF CCCCCCSc1cc(Cl)c(C(=O)CC[N@]2C[C@H]2C)cc1Cl 1857742122 BOTHSWILLQNCAB-LRTDBIEQSA-N 374.377 5.943 0 1 FKAF CC[C@H](O)C(C)=C[C@H](C)[C@H](O)C(C)=CC(C)=C[C@@H](C)C=Cc1ccccc1 2356537592 YLFWWEOWHPOZJW-JYQZRRITSA-N 368.561 5.943 0 1 FKAF CCC=CCC=C[C@H]1C=CCC=CCCCCCCc2cc(O)c1c(=O)o2 2356753404 UIBPNLCWECAQGD-FQEVSTJZSA-N 368.517 6.351 0 1 FKAF c1ccc(-c2ccc(CNc3ccc(CN4CCSCC4)cc3)cc2)cc1 5939337 FBNUXMMOVSDLKF-UHFFFAOYSA-N 374.553 5.515 0 1 FKAF CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)OC(C)=O 26578846 AGAAOHXFBRGCFM-UZOJNLMYSA-N 362.510 5.758 0 1 FKAF CC(C)OC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccsc1 27077263 CSULFOJVPNYNPK-UHFFFAOYSA-N 361.850 5.218 0 1 FKAF Cc1cc(-c2ccsc2)cn2c(CSCc3ccccc3)cnc12 45495335 KEWDZDZIBNXMPM-UHFFFAOYSA-N 350.512 5.805 0 1 FKAF CN(C)c1ccc(-c2cn3c(n2)sc2cc(Br)ccc23)cc1 71331637 TYOPSHXPBDWPOM-UHFFFAOYSA-N 372.291 5.045 0 1 FKAF CCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCC(C)C)ncnc21 82177860 YFQDQUCQZVDQJV-UHFFFAOYSA-N 371.916 5.405 0 1 FKAF Cc1ccccc1Cc1c(NCCc2ccccc2)c2ccccc2oc1=O 101082325 KXXXQHIPJIBJIM-UHFFFAOYSA-N 369.464 5.347 0 1 FKAF CC(C)CN[C@@H](c1ccc(Cl)cc1)c1ccc(-c2cccnc2)cc1 103265724 WUQYXPVWYNKZKO-JOCHJYFZSA-N 350.893 5.737 0 1 FKAF CCCC[C@@H](CC)[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 169316714 KCOVIXLDRHLDSU-IMRDDREYSA-N 366.542 5.140 0 1 FKAF Cc1cc2c(NC(=O)N[C@@H]3CC[C@@H](c4ccccc4)C3)c(F)ccc2cn1 169704869 BLFYIBROKHRKEJ-SJLPKXTDSA-N 363.436 5.140 0 1 FKAF Cc1ccc(-c2nnc(CSC([Si](C)(C)C)[Si](C)(C)C)o2)cc1 205071429 CTLUFSWFXQTFHO-UHFFFAOYSA-N 364.663 5.402 0 1 FKAF CC(C)=C[C@H]1C[C@](C)(/C=C\c2ccc3[nH]ccc3c2)c2cc3[nH]ccc3cc21 238786071 FAQRBHZNMOOHPZ-PRRCYRORSA-N 366.508 7.074 0 1 FKAF CCc1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1CC 586879842 NXJOGJNZTOLFCP-UHFFFAOYSA-N 369.337 5.404 0 1 FKAF FC(F)(F)c1cc(Br)cc2nc(-c3ccoc3C3CC3)[nH]c12 586901913 QJKAEDJRQXQYNA-UHFFFAOYSA-N 371.156 5.482 0 1 FKAF Cc1c(F)ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586977231 ZXZZPZUSOJIIDO-UHFFFAOYSA-N 374.040 5.747 0 1 FKAF CCc1ccc(-c2nc(-c3nc4cc(C)c(Cl)cc4[nH]3)cs2)cc1 587015079 DXIZGZGXAWTBBY-UHFFFAOYSA-N 353.878 5.878 0 1 FKAF Cc1cc(Br)c2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 587023019 CDQAISYTHSRTNV-UHFFFAOYSA-N 370.275 5.424 0 1 FKAF c1ccc(Oc2ccc3nc(C[C@H]4OCCc5ccsc54)[nH]c3c2)cc1 587034072 CPQVQIXQMZGTAO-LJQANCHMSA-N 362.454 5.273 0 1 FKAF COc1cc(/C=C/c2nc3cccc(O)c3[nH]2)cc(Cl)c1OCC(C)C 587045967 AYTXNDUSIXKLOI-BQYQJAHWSA-N 372.852 5.136 0 1 FKAF COc1cccc(-c2ccc(-c3nc4cncc(Cl)c4[nH]3)c(Cl)c2)c1 587052285 MQFVOULXZVTEIA-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF Clc1ccc(-c2cnccc2-c2nc3c(ccc4ncccc43)[nH]2)cc1 587076106 IXWLQRPWHQWAIP-UHFFFAOYSA-N 356.816 5.494 0 1 FKAF Cc1ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2c1 587114420 SPPLIHBHWZNIOR-UHFFFAOYSA-N 368.358 6.349 0 1 FKAF Fc1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1F 587121673 DGEXIJAFPGLWQU-UHFFFAOYSA-N 374.334 5.173 0 1 FKAF CC(=O)CC/C=C/Cc1c(C)nc2cccc3c2c1-c1ccccc1C3=O 587207753 UQYXUPORWRZSAC-HWKANZROSA-N 355.437 5.223 0 1 FKAF CC(C)=CCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353504 LDFACUAZDONTJA-IFMALSPDSA-N 354.421 5.395 0 1 FKAF CC[C@H](C)Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl 587420368 IGOCHRXFTLAARG-UYWYVWFRSA-N 372.848 5.015 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)cc(Cl)c1)CC2=O 587463510 XYTPDPFPPWAQQK-IBGZPJMESA-N 365.256 5.532 0 1 FKAF Nc1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511266 OLHPKYCDVJOQNQ-RUZDIDTESA-N 369.464 5.057 0 1 FKAF CCc1ccc(-c2[nH]c3ccc([C@@H](C)CC)cc3c2C(=O)C(F)(F)F)cc1 587639780 COXNRQQGONNHGX-ZDUSSCGKSA-N 373.418 6.656 0 1 FKAF CCCC[C@H](CC)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658564 OYUYAWWPPCYLSO-HNNXBMFYSA-N 366.436 5.059 0 1 FKAF Cc1cccc([C@@]2(c3ccc(C(C)C)cc3)NCCc3cc(C)c(F)cc32)n1 962380640 XKUWMDPQIDRSRL-VWLOTQADSA-N 374.503 5.399 0 1 FKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1ccc(F)c2ccoc12 962701388 GLIICYGLRSEJEK-XCLFUZPHSA-N 371.452 5.164 0 1 FKAF COc1cccc(-c2cc3c(Nc4cccc(C(C)C)c4)nccc3[nH]2)c1 1857582968 QXIFMVCQMPXAAF-UHFFFAOYSA-N 357.457 6.106 0 1 FKAF CCCC/C=C\CCCCCCCCC[C@H](O)Cc1cc(O)ccc1O 1911580836 KFLUYDSQMKPXRT-RMUOZIPVSA-N 362.554 6.259 0 1 FKAF O=C1Cc2c(-c3ccccc3)cc(-c3ccccc3)nc2-c2ccccc2N1 12940379 RUBBCXXZKITYEZ-UHFFFAOYSA-N 362.432 5.577 0 1 FKAF CC(C)c1ccc(O[C@](C)(Cc2cccc(-c3ccccc3)c2)C(=O)O)cc1 13604824 DZGBPGWCJWQJAL-RUZDIDTESA-N 374.480 5.942 0 1 FKAF CCCC[C@@H](c1cccc(F)c1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 22941663 IUNNNLPJQWHQNA-PCCBWWKXSA-N 360.904 5.485 0 1 FKAF CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)c(Cl)c3)[nH]2)CC1 28473873 CSTUWEMETOMAGJ-UHFFFAOYSA-N 369.871 5.345 0 1 FKAF COc1ccc(CN2CCc3ccccc3C2)c2cc(-c3ccccc3)oc12 28878090 JVZHZFNAQLMHIR-UHFFFAOYSA-N 369.464 5.667 0 1 FKAF O=C(O)c1ccc(NCCCCCCCCCCCc2ccccc2)cc1 29206868 YROPKZIQRUBCBO-UHFFFAOYSA-N 367.533 6.550 0 1 FKAF c1ccc(Nc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1 45261264 UVUFQEMGPJPSIS-SKBVVQJISA-N 372.556 5.899 0 1 FKAF in-vivo COc1ccccc1/C=C/[C@@](C)(/C=C/c1ccc(O)cc1)CCC=C(C)C 53312985 SSSVQGSJWLPDMB-STEACYEYSA-N 362.513 6.880 0 1 FKAF CC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1ccc(F)c(F)c1 66251044 ILLXQAXNQYEZEI-UHFFFAOYSA-N 357.400 5.092 0 1 FKAF O=C(CCc1sccc1-c1ccccc1)c1sccc1-c1ccccc1 68572705 OBARUANSWBRGDG-UHFFFAOYSA-N 374.530 6.959 0 1 FKAF biogenic C[C@]1(c2ccccc2)CCN(c2cccc(-c3ccc(F)cc3)c2)C(=O)O1 72118692 GRECFJMRKUEXPU-HSZRJFAPSA-N 361.416 5.755 0 1 FKAF c1ccc(-n2c(SC3CCCC3)nnc2-c2cc3ccccc3o2)cc1 95595537 VYBQVXWUGAVKSG-UHFFFAOYSA-N 361.470 5.715 0 1 FKAF Cc1ccc(Cl)c(-c2nc3ccccn3c2NC2CCCCC2)c1F 117667911 NLCNTQDZRAPYAD-UHFFFAOYSA-N 357.860 5.847 0 1 FKAF COc1ccc2c(c1)CC[C@@H]1[C@H]3C=C[C@@](O)(c4ccccc4)[C@@]3(C)CC[C@@H]21 169308078 PRCGTYKZJAVITA-ARXROMJUSA-N 360.497 5.215 0 1 FKAF c1ccc(Sc2ccc3[nH]c(-c4ccc(C5CCC5)cc4)nc3c2)cc1 586883205 ISDPEKMQXAXTOV-UHFFFAOYSA-N 356.494 6.649 0 1 FKAF Cc1oc2c(c1C)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586991966 RJRGTLNAWQAIAG-UHFFFAOYSA-N 367.404 5.127 0 1 FKAF O[C@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccccc1Cl 587059085 MBMHTEWHERMAHC-IBGZPJMESA-N 350.805 5.090 0 1 FKAF Clc1ccc(CN2CCC[C@H]2c2nc3ccc4ncccc4c3[nH]2)cc1 587074810 CPENRNDNJGJJEP-IBGZPJMESA-N 362.864 5.102 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(F)cc(F)c1C3 587104971 XUFREAJOJKQJEQ-UHFFFAOYSA-N 355.343 5.296 0 1 FKAF CCCCC[C@@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108207 ZIWLRBVCIZQLGB-INIZCTEOSA-N 357.453 5.699 0 1 FKAF OCc1ccc(F)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587140518 MBUWHYSPZFNFBV-UHFFFAOYSA-N 350.418 5.013 0 1 FKAF COc1ccc(-c2ccc(-c3nc4c(Cl)ccnc4[nH]3)c(F)c2)c(F)c1 587148206 FIFVQGOVJJZVBT-UHFFFAOYSA-N 371.774 5.232 0 1 FKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cccc(F)c3[nH]2)c(Cl)c1 587159402 OUJAMOIJLMBOLI-IBGZPJMESA-N 370.786 5.663 0 1 FKAF Fc1ccc2c(-c3nc4cc(Cl)cc(Br)c4[nH]3)coc2c1 587174510 JZQOYMQPQIPYHQ-UHFFFAOYSA-N 365.589 5.531 0 1 FKAF Nc1c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)ccc2ccccc12 587254304 ZJWLNQRSOWIYPC-UHFFFAOYSA-N 365.436 5.544 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3C(C)(C)C)c1 587365183 FNCWSHNJJXFKLU-KRWDZBQOSA-N 357.453 6.342 0 1 FKAF Cc1ccc(-c2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587404221 CPEOGGNUYBPVDS-XMMPIXPASA-N 357.453 5.433 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1c(C4CCCC4)[nH]c4ccccc14)[C@@H](C2)C3=O 587436776 AQRPWQZAJSESOC-BXKMTCNYSA-N 373.452 5.323 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccs1)CC2=O 587494278 KOLXZNDBWUCWKZ-QFIPXVFZSA-N 364.466 5.315 0 1 FKAF CCO[C@H](C)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521714 JIPDRINDQBSWQO-GYCJOSAFSA-N 364.485 5.544 0 1 FKAF O=C1C[C@@H](c2csc3ccc(Cl)nc23)Oc2c1ccc1c2CCCC1 587535586 MHSIAQARAWKJCZ-INIZCTEOSA-N 369.873 5.535 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1C(F)F 587552688 BINSPEZOEMFGAK-XLIONFOSSA-N 368.335 5.033 0 1 FKAF CC(C)c1c(Cc2ccc(Cl)cc2Cl)[nH]c2c(C(=O)O)cccc12 587638498 MLADPNPGXZRGEN-UHFFFAOYSA-N 362.256 5.887 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2C2CC2)N1 587814094 FXCNCFHKPFPFLL-FKIZINRSSA-N 374.297 5.263 0 1 FKAF COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3cccc4ccccc34)nc2c1 587967358 HKLPZZVCUQBUBL-KTKRTIGZSA-N 362.816 5.327 0 1 FKAF c1ccc(C[C@H]2CN3C(=N2)SC(c2ccccc2)=C3c2ccccc2)cc1 1772593168 PJYSNANDJLNLQB-NRFANRHFSA-N 368.505 5.542 0 1 FKAF CC(=O)c1c(O)c(CC=C(C)C)c2c3c1O[C@@]1(C)CC[C@H]([C@H]3C1)C(C)(C)O2 1857613190 YGAJNFVQBYRCIY-LNPFQXMTSA-N 370.489 5.309 0 1 FKAF CCCCC[C@@H](O)C=CC=CCCCC[C@@H](CCC(=O)O)CCC(C)C 2356600285 GXMYTVGZPABJDJ-FGZHOGPDSA-N 366.586 6.518 0 1 FKAF CC[C@@H](COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 36389260 ZUOWQBNCRQTFJD-SFHVURJKSA-N 367.493 5.033 0 3 FKAF CC(C)(C)c1cc(Sc2nnc(S)s2)cc(C(C)(C)C)c1O 599643 AOZAHKUGJGJVQY-UHFFFAOYSA-N 354.566 5.279 0 1 FKAF CCCCC(=O)Nc1nc(-c2ccc(C)cc2)c(-c2ccccc2)s1 3107672 RGGMMPGJCHXPIY-UHFFFAOYSA-N 350.487 5.914 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 3797548 UNJQRCXVHBZVTM-PFQGPGDOSA-N 351.534 5.479 0 1 FKAF CCc1c(C)[nH]c(=O)c(NCc2ccccc2)c1Cc1cc(C)cc(C)c1 5886255 OUTMVTIDSCIPPK-UHFFFAOYSA-N 360.501 5.065 0 1 FKAF CCCC/C(=C\C(=O)O)c1cnc(CCCC)n1Cc1ccccc1Cl 13728106 TUFRKPPQSBAJRD-DTQAZKPQSA-N 374.912 5.586 0 1 FKAF O=C(O)c1ccc(C(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1 13740017 GWUYLVYFOIXRPU-UHFFFAOYSA-N 371.219 5.590 0 1 FKAF CC(C)(C)C(=O)Oc1ccc(Oc2ccc(OC(=O)C(C)(C)C)cc2)cc1 26007041 NWTOVVOKYBGBFD-UHFFFAOYSA-N 370.445 5.382 0 1 FKAF CC(/C=C/C1(c2ccc3c(c2)C(C)(C)CCC3(C)C)CCCC1)=C\C(=O)O 26657257 YDJABWPMZKPOCN-JODANDAUSA-N 366.545 6.435 0 1 FKAF CCOC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1 28221610 ZDXPIQOYIVXXTI-UHFFFAOYSA-N 360.479 5.175 0 1 FKAF C=C(c1cc(Cl)ccc1O[C@H](C)c1ccc(Cl)cc1)n1ccnc1 28767130 ATDCAUDMJPLMIB-CQSZACIVSA-N 359.256 5.849 0 1 FKAF O=C1C[C@@H](c2ccccc2)c2c(ccc3cc(Br)ccc23)N1 29135399 NLRNGKTYUCXTPF-INIZCTEOSA-N 352.231 5.076 0 1 FKAF COc1ccc(Nc2cc(NC(=O)C3CCCC3)c3ccccc3n2)cc1 40394036 JALIGPLVMLNROA-UHFFFAOYSA-N 361.445 5.116 0 1 FKAF C[C@H](OC(=S)Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 40895754 KPLXGVZRWRNAFM-HNNXBMFYSA-N 367.901 6.482 0 1 FKAF Cc1ccccc1C(=O)N[C@H](c1ccccc1)c1ccc2ccccc2c1 43022192 IJFADUOPHLKJQB-XMMPIXPASA-N 351.449 5.668 0 1 FKAF Cc1cc2nc(-c3ccc(/C=C/C(=O)NC4CCCCC4)cc3)[nH]c2cc1C 45301216 XKMJVUSQCZZTBH-JLHYYAGUSA-N 373.500 5.309 0 1 FKAF CCC(=O)Oc1c(C(C)C)cc2c3c1OC(=O)[C@@]31CCCC(C)(C)[C@@H]1CC2 49110299 LQMGPWHTAOAULT-QMHKHESXSA-N 370.489 5.055 0 1 FKAF CCCCCC1=NN(C(=O)NC2CCCCCC2)C[C@H]1c1ccccc1 58592761 DFIHCADLCKNLLP-FQEVSTJZSA-N 355.526 5.455 0 1 FKAF CC(=O)c1c(Nc2cccc(C)c2)nc2c(Cl)c(Cl)ccc2c1O 84602241 QTXSQMSIDKAMIP-UHFFFAOYSA-N 361.228 5.502 0 1 FKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCN(C)C 98090315 YLXASPMPBDPQLL-MURFETPASA-N 364.618 5.868 0 1 FKAF CCCCC[C@H](C)SC[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100999286 JPUVEYMMQIVSGF-YNAQNGNESA-N 368.583 5.683 0 1 FKAF Fc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)N2c2ccccc2)cc1 103184143 VLGMEZOOLGNFIU-HXUWFJFHSA-N 352.796 5.376 0 1 FKAF CN(C)CCC[C@@]1(c2cc(Cl)cc(Cl)c2)OCc2ccccc21 142569005 XHCMUOJNYGMCOY-IBGZPJMESA-N 350.289 5.109 0 1 FKAF CC(C)c1cc(-c2c[nH]c3ncc(-c4ccccc4)cc23)ccc1C(=O)O 145596740 SQQCNWHVXWEWKZ-UHFFFAOYSA-N 356.425 5.719 0 1 FKAF CCC/C=C\C/C=C\C=C/CCCCCCCc1cccc(O)c1C(=O)O 238772824 BOKXWUZMFSLGOR-KTVUOLNVSA-N 370.533 6.832 0 1 FKAF C[C@H](CCCO)[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 261070978 ACKIMFUPMAASSZ-GVALYFOVSA-N 362.598 5.415 0 1 FKAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 586885795 DHZDGHOOVOGOPH-AOMKIAJQSA-N 374.509 5.860 0 1 FKAF CC(C)c1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(O)c(C(C)C)c1 586896837 RDSJZEOBHXCSRZ-UHFFFAOYSA-N 374.387 5.504 0 1 FKAF Cc1ccc2c(ccc3nc(Cc4nc(-c5ccsc5)oc4C)[nH]c32)n1 587026732 HJSJTFWOTOEAKD-UHFFFAOYSA-N 360.442 5.035 0 1 FKAF CCOC(=O)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587053241 AIWXFVURNXBPRP-CLFYSBASSA-N 361.228 5.217 0 1 FKAF Cc1cncc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587072480 QVDZWCVMCNMOJX-LIGOOFOOSA-N 372.299 5.939 0 1 FKAF Clc1ccc(C2=C[C@@H](c3nc4cc(Cl)c(Cl)cc4[nH]3)ON2)cc1 587075639 FYWHEACJWSYRFO-HNNXBMFYSA-N 366.635 5.140 0 1 FKAF CC(C)(C)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076067 HSEXTJQJEYMIMR-GOSISDBHSA-N 353.853 5.131 0 1 FKAF Cc1ccc2c3c(cc(-c4cc5c(s4)CCC5)nc13)-c1ccccc1C2=O 587102509 WETJJDDVXRALBN-UHFFFAOYSA-N 367.473 5.972 0 1 FKAF Cc1c(-c2c(F)cccc2Cl)nc2cccc3c2c1-c1ccccc1C3=O 587104439 UJJDFLITIJZODR-UHFFFAOYSA-N 373.814 6.214 0 1 FKAF Fc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c(F)c1F 587111372 FWXVTVBGTXXNPS-UHFFFAOYSA-N 367.252 5.214 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2)c1 587235342 NVRTWHYNSZVPOY-UHFFFAOYSA-N 368.362 5.352 0 1 FKAF C[C@]1(CCC2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349563 CIBGLOTYLRGDLP-JTHBVZDNSA-N 368.448 5.619 0 1 FKAF O=C1c2ccc(O)cc2OC2(C3CCCC2CCC3)[C@@H]1c1ccc(F)cc1 587351578 KFXPINGHERGNPG-HRMBCGOKSA-N 366.432 5.229 0 1 FKAF COc1cccc(-c2cc(-c3c[nH]ccc3=N)nc3c2oc2ccccc23)c1 587364013 YLDKSTVMVHZTQY-UHFFFAOYSA-N 367.408 5.131 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cc(Cl)ccc3n1)CC2=O 587460112 FZCQGQIRPNWKFX-FQEVSTJZSA-N 367.832 5.253 0 1 FKAF O=C1C[C@@H](c2ccc3cccc(Cl)c3n2)Oc2c1ccc1c2CCCC1 587497882 HLWUYCKJYISZAN-FQEVSTJZSA-N 363.844 5.474 0 1 FKAF C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509936 UEZCLZHDFLMRHR-HXUWFJFHSA-N 360.375 5.465 0 1 FKAF CC[C@@]1(c2cc(C)ccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587526494 SVCXSONTTXKGEY-QHCPKHFHSA-N 350.458 5.153 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1C(F)F 587552685 BINSPEZOEMFGAK-FXAWDEMLSA-N 368.335 5.033 0 1 FKAF Cc1nc2ccccc2c(Cl)c1Cc1c(C)[nH]c2cc(Cl)c(F)cc12 587629172 XQVLHLCDUQUHEC-UHFFFAOYSA-N 373.258 6.370 0 1 FKAF COc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)cc1 587629814 IZQVXULEILIGOO-UHFFFAOYSA-N 371.717 5.219 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(Cl)cc3)c2c1 587640055 BLLGPMUDZXZEKR-LLVKDONJSA-N 361.819 6.503 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cnn(CC)c3C)c(C(=O)C(F)F)c2c1 587643141 RVXRJCSLRJIMQI-NSHDSACASA-N 359.420 5.321 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(-c3cc(F)ccc3Br)c2c1 587643972 ZQYOEGJOHIOYFO-LLVKDONJSA-N 360.270 6.558 0 1 FKAF CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=C(C)C)CC1 587816780 DBPUQUIRKXRXCX-YJYMSZOUSA-N 364.302 5.394 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@@]2(C)C3(C)C)N1 587819642 WFUHHOGLPLTXBI-LYXXURBMSA-N 366.318 5.164 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(Cl)c(C)c4[nH]3)c2)c1 587931611 BMTLTLPDFFIBRA-UHFFFAOYSA-N 364.832 5.573 0 1 FKAF Cc1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1C 587957569 NWZSECPMSLIYOX-UHFFFAOYSA-N 358.526 6.098 0 1 FKAF C[C@@H]1Cc2ccc(Cl)cc2[C@]12NCCc1c(Cl)cc(Cl)cc12 963115189 ZXGBGTZAKZMNLS-MLCYQJTMSA-N 352.692 5.228 0 1 FKAF O=C(O)CCCSc1nnc(-c2ccc(-c3ccccc3)cc2Cl)o1 1857577274 CLPSPCXDSCTJEI-UHFFFAOYSA-N 374.849 5.014 0 1 FKAF CCCN1CC(=O)Nc2ccc(-c3ccsc3)cc2[C@@H]1c1ccccc1 1911580253 ZAYDCDITEIEZJC-QFIPXVFZSA-N 362.498 5.169 0 1 FKAF CC1=C[C@](C)(C=CC=Cc2ccccc2)[C@](C)(C(=O)O)[C@@H]2C(C)=C[C@@H](C)[C@H]12 2356705949 KNDMYWMVTUEPLZ-LKYCLIJKSA-N 362.513 6.142 0 1 FKAF CCCCCC1=CC=C[C@H](O)CC=C(CC[C@H](C)CCCC(=O)O)O1 2356875651 ZSOGOINBHUIBQK-MSOLQXFVSA-N 350.499 5.343 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 3978664 RPKLZQLYODPWTM-IONQLJJDSA-N 360.582 6.536 0 1 FKAF COc1ccc([C@@H]2C[C@H](c3ccccc3)Oc3ccc(C(C)(C)C)cc32)cc1 13829952 HMQOODPDZMLNMI-WIOPSUGQSA-N 372.508 6.648 0 1 FKAF Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)ccc(F)c2F)cc1 28382775 DXEYLPSIPOLYIO-UHFFFAOYSA-N 358.409 5.011 0 1 FKAF CCCCCOC(=O)C[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)cc1 28757871 RWCNBCAALKZWTQ-FGZHOGPDSA-N 370.489 5.499 0 1 FKAF CCN(CC)CCCNc1ncc(C)c2[nH]c3ccc4ccccc4c3c12 29331390 KNZGTFWEQZGJKQ-UHFFFAOYSA-N 360.505 5.322 0 1 FKAF Clc1ccc(-c2cc(-c3ccco3)nc(-c3ccc(Cl)s3)c2)o1 45373690 ARQDXVGPHNVSDT-UHFFFAOYSA-N 362.237 6.637 0 1 FKAF CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)C[C@H]1c1ccsc1 58592463 HWMVECSQTJCMEI-SFHVURJKSA-N 369.534 5.338 0 1 FKAF CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 66167202 YAQIKKBIALNQMC-UHFFFAOYSA-N 374.509 5.224 0 1 FKAF Clc1ccccc1-c1nc2cccc(Cl)n2c1NC1CCCCC1 72177643 XUECNPMGWKYTOQ-UHFFFAOYSA-N 360.288 6.053 0 1 FKAF Clc1ccc2c(NCc3nc(-c4ccccc4)cs3)ccnc2c1 95558348 BLNXBWKCOKEJTC-UHFFFAOYSA-N 351.862 5.624 0 1 FKAF CSc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccc(C)s1 95584128 ZXFRDVZWMKMXCB-LJQANCHMSA-N 366.511 5.550 0 1 FKAF CCCc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1 95596962 VQZHGVRISATOSM-QHCPKHFHSA-N 360.453 5.381 0 1 FKAF CCn1nnc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc21 103176701 WHNJJVLINOATLC-UHFFFAOYSA-N 359.710 5.055 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccco2)C[C@H](c2ccccc2)C1 104698462 BJAICVBSBVVNKM-QMHKHESXSA-N 356.425 5.909 0 1 FKAF Cc1cc(C(=O)O)c2nc(-c3c(F)cc(-c4ccccc4)cc3F)[nH]c2c1 113983855 UYFGVFCDGKOMIJ-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF COc1ccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1 144734506 DQWYTYBEYISNMW-HXUWFJFHSA-N 356.343 5.141 0 1 FKAF COC1=CC2=N/C1=C\c1ccc([nH]1)CCCC/C=C\CCCc1cccc2c1 169568090 GTTQOLVPKWSQNQ-KCMMADHQSA-N 372.512 5.994 0 1 FKAF Cc1cc2c(NC(=O)N[C@H]3CC[C@@H](c4ccccc4)C3)c(F)ccc2cn1 169704876 BLFYIBROKHRKEJ-AEFFLSMTSA-N 363.436 5.140 0 1 FKAF 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@]12C 299805749 AZFLHSKQKSZOET-FMXJBPEASA-N 374.565 5.283 0 1 FKAF CC(C)[C@H]1CCc2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O 586991673 VJCXQCILRHVXFV-CQSZACIVSA-N 357.453 5.303 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](c1ccc(F)cc1)C3 587102996 CIHVUIZOCPDHAQ-HNNXBMFYSA-N 365.407 5.468 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587160352 BNBQHNNVNOTQMH-ZJUUUORDSA-N 367.168 5.014 0 1 FKAF O=C1c2ccccc2-c2c(C3CCC3)c(-c3ccccc3)nc3cccc1c23 587207787 VWIBWDYVBPFTHE-UHFFFAOYSA-N 361.444 6.381 0 1 FKAF COc1cccc(-c2cc(-c3cnccn3)nc3c2oc2ccccc23)c1 587363845 PEDSIUSZZWIMFC-UHFFFAOYSA-N 353.381 5.114 0 1 FKAF O=C1C[C@H](c2ccc(C(F)(F)F)cc2F)Oc2c1ccc1c2CCCC1 587506482 JTSKQLNOXMCUNI-GOSISDBHSA-N 364.338 5.430 0 1 FKAF Cc1ccc(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)o1 587534092 VQLRUKDHGYOJSY-QHCPKHFHSA-N 358.437 5.840 0 1 FKAF O=C1C[C@@H](c2ccc(-c3nccs3)cc2)Oc2c1ccc1c2CCCC1 587535069 IARGZIFKEAIMJN-FQEVSTJZSA-N 361.466 5.395 0 1 FKAF CCn1ncc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)(F)F)c1C 587624277 JAEJLTSDIUZVMO-UHFFFAOYSA-N 369.774 5.067 0 1 FKAF Cc1cccc(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587691983 JESQREDEDZULFR-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C)CCCCCC2)N1 587818278 HKROFQVEMFBANL-PXAZEXFGSA-N 354.307 5.524 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCCCCCCCC2)N1 587818605 RLBXINKCPMDGQC-CQSZACIVSA-N 368.334 5.842 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587934755 FVYBFVYVWHTTBR-QHCPKHFHSA-N 368.480 5.631 0 1 FKAF Cc1cccc2c1[C@@H](C)C[C@@]21NC2(CC2)Cc2ccc(Br)cc21 961614390 KYTOQFBEOIZMEV-LHSJRXKWSA-N 368.318 5.187 0 1 FKAF C[C@@]12CC3CC(NC(=S)NC45CC6CC(CC(C6)C4)C5)(C1)C[C@](C)(C3)C2 1857637486 TZSAIRQMISNYOW-IZBHWRDBSA-N 372.622 5.168 0 1 FKAF CCc1nc(Nc2ccc(-c3cnco3)c(OC)c2)oc1-c1ccccc1 3594931 RGYQFOKQYOKDET-UHFFFAOYSA-N 361.401 5.311 0 1 FKAF Cc1ccc2c(c1)[C@H](C(=O)Nc1c(C)cccc1C)c1ccccc1CO2 13735129 LGHRLLBSGIWZIP-JOCHJYFZSA-N 357.453 5.275 0 1 FKAF CC1=C(c2ccc(O)cc2)[C@H](CCCCCCCN)c2ccc(O)cc21 26576906 VPFDRKZPSULTNP-OAQYLSRUSA-N 351.490 5.425 0 1 FKAF CCCC[C@@H]1Oc2ccc(OC)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 26994448 NBYXOMZEWLMKJB-NRFANRHFSA-N 363.501 6.593 0 1 FKAF CC[C@@H](/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC)cc1OC 28567192 DGXPEUXJZKKSSH-GFUIURDCSA-N 351.273 6.218 0 1 FKAF CCCCn1c2ccccc2c2ccnc(/C=C/c3ccc(OC)cc3)c21 40404178 YGODNEPDILDNLT-SDNWHVSQSA-N 356.469 6.169 0 1 FKAF Cc1ccc2c(c1Cl)NC(=O)[C@]2(c1ccc(O)cc1)C1CCCCCC1 43200751 ZDCIKWFLFNGSKC-QFIPXVFZSA-N 369.892 5.563 0 1 FKAF O=C(c1ccc(NCc2ccco2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 64549915 XLXCXSXSOSKIKT-VQTJNVASSA-N 351.833 5.532 0 1 FKAF CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1S[C@@H](C)CC 72179485 WBPRGCQXFLDPKA-NSHDSACASA-N 369.361 6.466 0 1 FKAF CC[C@H](C)Cn1c(C(C)C)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185206 ZDMWUDDKFAWZIL-AWEZNQCLSA-N 371.916 5.261 0 1 FKAF COc1ccc2c(c1)S[C@@]1(c3ccccc3)C(=O)c3ccccc3C1=N2 84723564 PHUNPILSCJURHD-JOCHJYFZSA-N 357.434 5.014 0 1 FKAF CCCN(CCC)c1c(CC)nn2c(-c3ccc(OC)cc3C)cccc12 84740666 DNIIFUHGOJFDAU-UHFFFAOYSA-N 365.521 5.507 0 1 FKAF Clc1ccc(O[C@H](c2ccc3ccccc3c2)C2CNC2)cc1Cl 95554481 FMNHTBXXYZCSCU-HXUWFJFHSA-N 358.268 5.486 0 1 FKAF CCCCc1ccc(NC(=O)Nc2ccc([C@H]3CCNC3)cc2)c(C)c1 117714201 VCARLUCRXTWZAH-IBGZPJMESA-N 351.494 5.059 0 1 FKAF Cc1ccc(-c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)n[nH]2)cc1 299866591 PBULTHDHNCJOCJ-IZZDOVSWSA-N 371.362 5.056 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(OC)cccc4[nH]3)cc2)CC1 586879776 ICNOWLBDFAIMTJ-IYARVYRRSA-N 362.517 6.703 0 1 FKAF FC(F)(F)Oc1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1 587028037 NBWBMPWUDMTBIW-UHFFFAOYSA-N 361.348 5.252 0 1 FKAF COc1cc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2cc1C 587065616 UBLFRTBMBAWNKL-UHFFFAOYSA-N 366.852 5.003 0 1 FKAF COc1cc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C 587107372 RNQINEHLROJDDZ-UHFFFAOYSA-N 365.432 5.739 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587170966 WFUYJHDDTZKJTQ-SECBINFHSA-N 355.265 5.905 0 1 FKAF Fc1ccc2c(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)coc2c1 587174889 NHIQLGQDKZQOMA-UHFFFAOYSA-N 358.372 5.694 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)c(OC)c(Cl)c1)CC2=O 587458310 AEOJMLDAOSVGRP-OAQYLSRUSA-N 374.864 5.196 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(O)cc(Cl)cc1Cl)CC2=O 587460024 KUJXJYIACJRTHB-INIZCTEOSA-N 367.228 5.064 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)noc1-c1ccccc1)CC2=O 587487902 YNAABORGMBVNON-LJQANCHMSA-N 363.413 5.015 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC1CCCCC1)(C(C)(C)C)CC2=O 587491312 WFCNUNHGYKBXPP-QHCPKHFHSA-N 358.522 6.065 0 1 FKAF COc1ccc2[nH]cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1C 587527345 TYJKZQKHHRNALO-NRFANRHFSA-N 361.441 5.070 0 1 FKAF CCCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600237 AJXSCKYMKIQMRW-NFBKMPQASA-N 360.409 5.048 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2C2CC2)N1 587814096 FXCNCFHKPFPFLL-MPBGBICISA-N 374.297 5.263 0 1 FKAF CC1=C(C)C[C@](C)([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587819784 NNMZTLSHHXKZMS-UPRAQXHNSA-N 366.318 5.690 0 1 FKAF CC(C)C1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587820375 ZYOLPCWGSAPNGG-ZVLZOBCMSA-N 354.307 5.164 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 587933570 QWINVXLUOLUHPJ-KRWDZBQOSA-N 363.848 5.109 0 1 FKAF C(=C/c1ccccc1Oc1ccccc1)\c1nc2ccc3c(c2[nH]1)CCCC3 587950759 UMORBGCTAYBXOW-BMRADRMJSA-N 366.464 6.404 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587955356 NTTGLFSUWPHAGQ-UHFFFAOYSA-N 356.469 5.776 0 1 FKAF CN(CCCCCn1ccc2ccc(F)cc21)C(=O)Oc1ccccc1 1857745165 OEBHSTCZDJMAGC-UHFFFAOYSA-N 354.425 5.082 0 1 FKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)C[C@]4(C)[C@H]3CC[C@@]12C 2356476031 YPDLLJYJSWXQMO-AXEATMRRSA-N 372.637 7.287 0 1 FKAF Cc1cccc(C(C)(C)C)c1NC(=O)NCC1(c2ccccc2)CCCC1 1889414 SBPATIATVVXAJG-UHFFFAOYSA-N 364.533 5.926 0 1 FKAF CC(C)c1cc(C(C)C)n2nc(-c3ccccc3)c(-c3ccc(O)cc3)c2n1 13585005 ADKFGZBRNZGQJM-UHFFFAOYSA-N 371.484 6.016 0 1 FKAF CC(C)c1ccc(O[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)O)cc1 13604723 LNYDFVIUVQVRTE-KRWDZBQOSA-N 353.245 5.192 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c([C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(O)c1 13681085 JLGDXTIZMZJIMY-HLAWJBBLSA-N 374.609 7.522 0 1 FKAF Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 28496929 ZHMIKLANGZOJPO-XNTDXEJSSA-N 356.400 5.004 0 1 FKAF CC(C)c1ccc(C(=CC[C@H](N)C(=O)O)c2ccc(C(C)C)cc2)cc1 28770748 QANDPCXAFPDYIN-QFIPXVFZSA-N 351.490 5.167 0 1 FKAF Fc1ccc(-n2cc(C3=CCNCC3)c3cc(C(F)(F)F)ccc32)cc1 34426690 NSFYNKYRZNMNME-UHFFFAOYSA-N 360.354 5.165 0 1 FKAF CC(C)=C1CC[C@@H](C)[C@@](C)(Cc2c[nH]c3ccccc23)[C@@H]1CCC(=O)O 38357771 GVPCTDRGYRLXLX-AYPBNUJASA-N 353.506 5.964 0 1 FKAF in-vitro COc1cccc([C@@H]2CC(c3cccc(O)c3)=Nc3ccccc3S2)c1 40429448 LXEROSHHBFWCRJ-QFIPXVFZSA-N 361.466 5.759 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CCCC(=O)O)OC(C)=O 40632399 CNTKAIDEGOKLJP-RRTNWJIESA-N 362.510 5.758 0 1 FKAF CCCCCN(Cc1coc(-c2ccccc2OCC)n1)c1ccccc1 72181535 HIUZQTLUESHKOC-UHFFFAOYSA-N 364.489 5.937 0 1 FKAF C[C@@H](CNCc1coc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 72184537 FKBXNOWATBCZPX-ZDUSSCGKSA-N 361.272 5.542 0 1 FKAF CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccccn2)cc1 84708283 FKUJKWPWNIKWQV-LJQANCHMSA-N 369.512 5.830 0 1 FKAF COc1ccc(Cc2cc(O[C@H]3CCCC[C@H]3C)c(C(C)C)c(=O)[nH]2)cc1 95592036 GHRLOSINCJHBPV-UZLBHIALSA-N 369.505 5.055 0 1 FKAF Cc1cc(OCCCc2c(C(=O)O)oc3ccccc23)cc(C)c1Cl 95596008 QKZLMJPWPQVNSW-UHFFFAOYSA-N 358.821 5.413 0 1 FKAF c1ccc2c(-c3nnc(CCCc4c[nH]c5ccccc45)o3)cccc2c1 96917122 IJTBZPFOQJYINZ-UHFFFAOYSA-N 353.425 5.546 0 1 FKAF c1ccc(Nc2nnc(Nc3nc(-c4ccccc4)cs3)s2)cc1 103168237 HQQJBZZPZGYSEH-UHFFFAOYSA-N 351.460 5.149 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(C(F)(F)F)ncc2[nH]1 586879120 PHOIKHMJNAQVTE-UHFFFAOYSA-N 353.347 5.619 0 1 FKAF CCc1ccc(-c2nc(-c3nc4cc(Cl)cc(C)c4[nH]3)cs2)cc1 587015026 CHAMOHUVYWVORN-UHFFFAOYSA-N 353.878 5.878 0 1 FKAF CCc1c(-c2c[nH]c3ccccc23)nc2cccc3c2c1-c1ccccc1C3=O 587105499 BJRNPGZYTQSMFB-UHFFFAOYSA-N 374.443 6.157 0 1 FKAF Cc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1Cl 587137849 OKUIOUGFAJMLKF-UHFFFAOYSA-N 357.585 5.232 0 1 FKAF COc1nccc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c12 587145151 JQBGCSLZYUQFQM-UHFFFAOYSA-N 367.811 5.401 0 1 FKAF COc1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587164438 QPNDVIDGPHUHAK-WJDWOHSUSA-N 350.418 5.361 0 1 FKAF O=C(/C=C\c1nc2ccc(Oc3ccccc3)cc2[nH]1)Nc1ccc(F)cc1 587166915 JWHVOAXPBXLQSZ-SEYXRHQNSA-N 373.387 5.146 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C)cc(F)c3[nH]2)c1 587195086 BBTZAZCUICETMK-UHFFFAOYSA-N 369.440 5.357 0 1 FKAF Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(O)c1C 587205763 DCDSGPYRLFRNDT-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](CCCc1ccc(C)c(C)c1)CC2=O 587486347 XKWWNQVDYMGBCY-SFHVURJKSA-N 352.474 5.318 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1SC(C)(C)C)CC2=O 587493196 RCLNUMGLHLNAHT-LJQANCHMSA-N 370.514 5.942 0 1 FKAF O=C1C[C@]2(CCCc3c2[nH]c2ccccc32)Oc2c1ccc1c2CCCC1 587528134 XEMOYQOGNFJXSS-DEOSSOPVSA-N 357.453 5.244 0 1 FKAF O=C1C[C@@H](c2cc3sccc3nc2Cl)Oc2c1ccc1c2CCCC1 587535178 JATAKSLBQQPJCX-KRWDZBQOSA-N 369.873 5.535 0 1 FKAF C[C@@H](c1ccc(F)cc1)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587730391 FSCFVKURWDLTCW-LIBAHTEVSA-N 366.249 5.106 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(F)cc2)N1 587735505 QCPWGZFXLGJVCM-MTNBJQBKSA-N 364.233 5.016 0 1 FKAF CCOc1ccc(OCC)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587777999 GQLQKYPZCQSUAO-UHFFFAOYSA-N 368.330 5.185 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C3CCC3)cc2)N1 587823376 PISKERWDKCFVAC-FKIZINRSSA-N 374.297 5.479 0 1 FKAF COc1ccc(CCCc2nc3cccc(C(C)(C)C)c3[nH]2)cc1OC 587924727 CPJUJMHTCWKBJQ-UHFFFAOYSA-N 352.478 5.053 0 1 FKAF COc1cccc(C2(c3nc4cc(OC)c(Cl)cc4[nH]3)CCCC2)c1 587931424 PKWIALOKFNSBFT-UHFFFAOYSA-N 356.853 5.094 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3c(cnc4ccccc43)[nH]2)cc1 587933552 ZXYFABBANCFUEH-UHFFFAOYSA-N 351.409 5.454 0 1 FKAF Brc1ccc2nc(C3CCCCC3)cc(-c3ccccc3)c2c1 1772619413 IRLUCVNFRHXAEP-UHFFFAOYSA-N 366.302 6.712 0 1 FKAF C[C@@H]1CC[C@@H]2[C@H](O)C[C@@H]3C(=C[C@@]4(C)[C@@H]3[C@H]3C(C)(C)CC[C@@]3(C)C[C@H]4O)[C@@]21C 2356325172 NHQMKSUTHDCJCC-YNBATHDBSA-N 372.593 5.189 0 1 FKAF CCC1=C[C@H](C)[C@@H]2C(C)=C[C@](C=Cc3ccccc3)(CC)[C@](C)(C(=O)O)[C@@H]12 2356778770 DGVIYEMUVWSVTP-IOWYWUGASA-N 364.529 6.366 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@@H]3CC(=O)[C@]4(C)c5cocc5CC[C@H]4[C@@]3(C)CC[C@H]12 2356795510 MDCITCVMDVUGER-VULPHZSESA-N 368.561 6.321 0 1 FKAF CC(C)CC(=O)c1c(O)c2ccoc2c2c(-c3ccccc3)cc(=O)oc12 14559517 DCOPSDSASCGVRJ-UHFFFAOYSA-N 362.381 5.141 0 1 FKAF biogenic COc1cccc(CCCCCCC(=O)c2ncc(-c3ccccn3)o2)c1 14979832 NWUNIVMFVYNPEW-UHFFFAOYSA-N 364.445 5.121 0 1 FKAF CCc1cccc(C[C@@](C)(Oc2ccc(Cc3ccccc3)cc2)C(=O)O)c1 27526506 ANCSDHVQDISILV-RUZDIDTESA-N 374.480 5.305 0 1 FKAF CCCCc1oc2ccccc2c1C(=O)c1ccc(-c2ccc(O)cc2)cc1 28757958 GQJIZSBAJZKNRS-UHFFFAOYSA-N 370.448 6.379 0 1 FKAF CCc1ccc(-c2c(-c3cnc(C)[nH]3)c(=O)[nH]c3ccc(Cl)cc23)cc1 29126149 HPOCEHFOBYUUJL-UHFFFAOYSA-N 363.848 5.109 0 1 FKAF Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c(Cc2ccccc2)n1 68572817 UYPWRVHLAURIMT-UHFFFAOYSA-N 361.485 5.103 0 1 FKAF biogenic COc1ccccc1-c1cc2c(Nc3ccc(SC)cc3)nccc2[nH]1 74386959 OYCPNMFKJKNDCB-UHFFFAOYSA-N 361.470 5.704 0 1 FKAF CCCC[C@@H](C)CCCCCCCCCCCCC[C@@H]1N[C@@H](CO)[C@@H]1O 82047306 SQYWWTRORQWECC-WZYRSQIMSA-N 369.634 5.578 0 1 FKAF CC1(C)CC2=Nc3ccc4ncccc4c3[C@@H](c3ccc(F)cc3)C2=C(O)C1 104108476 HKWDYEFJKNTVKI-OAQYLSRUSA-N 372.443 6.224 0 1 FKAF O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N1c1ccc2nc[nH]c2c1 116194582 FHTWCLUEQMSJIX-LEWJYISDSA-N 355.397 5.002 0 1 FKAF CCN(c1ccc(C(C)C)c(OC[C@H](C)CF)c1)c1ccc(C(=O)O)cn1 299852314 QGKZBAJLCNMPCT-OAHLLOKOSA-N 374.456 5.046 0 1 FKAF O=C(c1cccc(C(F)(F)F)c1)c1cc2cc(Br)ccc2o1 386375586 GVQWIWYIGGLYNT-UHFFFAOYSA-N 369.136 5.445 0 1 FKAF O=C(NCCCCCCCn1ccc2ccccc21)Oc1ccccc1 473132693 ULGSOYWNXCVYCD-UHFFFAOYSA-N 350.462 5.380 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(CO)ccc4[nH]3)cc2)CC1 586881791 VWXXPKAWHRKCIN-UAPYVXQJSA-N 362.517 6.186 0 1 FKAF FC(F)(F)Oc1cccc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023683 ONIYSJXYZOGSON-UHFFFAOYSA-N 367.377 5.314 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(F)c(C)c2[nH]1 587044491 FAVUIPLIEHGPSM-UHFFFAOYSA-N 355.196 5.001 0 1 FKAF Cc1cc(Br)cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 587085077 YDHUJHLVYOUKSM-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF Cc1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1C 587130350 SJSAWALIAGKKHE-MRVPVSSYSA-N 374.769 5.514 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cc(Br)c(F)cc4F)[nH]c32)n1 587135924 IGOCVHDUMZIQEM-UHFFFAOYSA-N 374.188 5.127 0 1 FKAF Cc1cccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587157579 APBCNPJPUHJNOH-FQEVSTJZSA-N 366.823 5.832 0 1 FKAF O=C(CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(F)cc1 587163741 VAIXRRXJDDJHQN-UHFFFAOYSA-N 370.733 5.190 0 1 FKAF O=C(c1c(C(F)(F)F)cccc1C(F)(F)F)c1coc2ccccc12 587280837 CASVNGFDNPBKTN-UHFFFAOYSA-N 358.237 5.701 0 1 FKAF C[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](C)C1 587354625 OHCYNBGWBMCFNH-ABTLNGFYSA-N 354.421 5.085 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ccc(Cl)cc13)CC2=O 587462138 NNZHWYNGMLBRIN-LJQANCHMSA-N 355.821 5.186 0 1 FKAF CC(C)(C)[C@@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587500331 BCHLSCBNOKPPIT-QHCPKHFHSA-N 352.449 5.611 0 1 FKAF Cc1ccc(-n2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cc1C 587516244 AZSRPIHZHAEXLT-QHCPKHFHSA-N 372.468 5.074 0 1 FKAF O=C1CCC(C2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)CC1 587522551 FOJUMJSKXRUACW-UHFFFAOYSA-N 366.501 5.219 0 1 FKAF CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCC)c1 587526472 TZLBCZNOOIUVSF-QFIPXVFZSA-N 366.457 5.069 0 1 FKAF Cc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2N2CCCCC2)cc(C)c1O 587631473 CERKPVPVXPYHDV-UHFFFAOYSA-N 372.871 5.940 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)c(C)c3)c(C)c2c1 587639311 RCRHNTYXLQHBBA-GFCCVEGCSA-N 356.307 6.728 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3nn(CC)cc3Cl)c(C(=O)OC)c2c1 587642855 WNLLOQCIYNSKAG-LLVKDONJSA-N 359.857 5.005 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(Cl)c2)N1 587736384 ZPJNCIGAFISUFB-VPTHRUTESA-N 372.640 5.004 0 1 FKAF C[C@H](C[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)CC(C)(C)C 587818547 IMSDJIYLPAKCPB-PEBVRCNWSA-N 356.323 5.626 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC[C@H]2C[C@H]3CC[C@H]2C3)N1 587819791 NNUJFVAFUMCWTA-FUQBHNEBSA-N 366.318 5.380 0 1 FKAF CC(C)[C@H]1CCC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587819838 WTYNEHBBESOIPC-UVBSCNOISA-N 354.307 5.164 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2CCCCCC2)N1 587820944 RJPJYUGWSFFYHY-SGTLLEGYSA-N 354.307 5.308 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCC2CCCCC2)N1 587821393 UQYCSFCIHAXACJ-XIKOKIGWSA-N 354.307 5.524 0 1 FKAF Clc1cccc(-c2csc(-c3ccc(Oc4ccccc4)cc3)n2)c1 587921337 URTOUJHHRGCGHQ-UHFFFAOYSA-N 363.869 6.923 0 1 FKAF COc1ccccc1CC(=O)c1nc2cc(Sc3ccccc3)ccc2[nH]1 587929786 LCJXRUQRXMRGFD-UHFFFAOYSA-N 374.465 5.148 0 1 FKAF CCOc1ccc([C@@H]2CC(=O)c3cc(CC=C(C)C)c(OC)cc3O2)cc1 1857635049 OGVVFAGEYZRCEV-QFIPXVFZSA-N 366.457 5.309 0 1 FKAF CCC1=C[C@H](c2ccccc2)[C@](C=C(C)C(=O)O)(CC)[C@H]2[C@@H]1[C@@H](C)C[C@H]2C 2356762140 CCCHOLIIPIWUMK-QVCCOCJYSA-N 366.545 6.456 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@H]4C3=CC[C@H]12)COC5=O 2356795828 MMTHWGHPMFCUNV-FCPSRSCISA-N 354.534 5.829 0 1 FKAF Fc1ccc2c(c1)S[C@H]1Oc3ccccc3-c3c1c-2nn3-c1ccccc1 1630128 BQLGPNXCFOSHFQ-JOCHJYFZSA-N 372.424 5.842 0 1 FKAF Cc1cc(C)cc(-c2cc(O)c(Sc3ccccc3C(C)C)c(=O)o2)c1 6521947 PQLMBHNVFJYRDU-UHFFFAOYSA-N 366.482 5.904 0 1 FKAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1ccncc1 26495086 XAAZZZPPMNDFEH-MMMPSHNZSA-N 351.534 5.489 0 1 FKAF CCOC/C=C/c1ccc(-c2nc(-c3ccc(NC(C)C)cc3)c[nH]2)cc1 26575864 SWMMQJLQGBYWFG-AATRIKPKSA-N 361.489 5.614 0 1 FKAF CCN(C)CCSC1=Cc2ccccc2Oc2ccc(SC)cc21 27556196 YDCKYXZUTBLHIB-UHFFFAOYSA-N 357.544 5.697 0 1 FKAF CN1CCC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 28527319 MFAAVSRLYJPXBW-UHFFFAOYSA-N 350.289 5.194 0 1 FKAF CC(=N)Nc1ccc(OCCCCCOc2ccc(NC(C)=N)cc2)cc1 40956489 LSAWAPTVRHFODE-UHFFFAOYSA-N 368.481 5.133 0 1 FKAF Cc1ccc(OCc2ccccc2-c2nnc(-c3ccccc3F)o2)cc1 64447117 CWGGTXKORNGWCY-UHFFFAOYSA-N 360.388 5.430 0 1 FKAF COc1ccc(N(CCCCCC2CCCCC2)c2ccc[n+](C)c2)cc1 66165951 HGALACOWQKESRW-UHFFFAOYSA-N 367.557 5.799 0 1 FKAF Cc1cnc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccccc2F)o1 82175188 GLLKEIBPACLBET-FZKQIMNGSA-N 366.440 5.237 0 1 FKAF COc1ccc2c(c1OC)-c1c(O)cccc1CCCC(=O)CCCCC2 85593821 FJWFWRDTOUPIDH-UHFFFAOYSA-N 368.473 5.085 0 1 FKAF biogenic CC1(C)CC2=Nc3ccc4ncccc4c3[C@H](c3ccccn3)C2=C(O)C1 104694181 GAAQRGOWTOUOIW-QFIPXVFZSA-N 355.441 5.480 0 1 FKAF CC(C)(C)n1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144876907 SRKXDSOUHQTTIR-HXUWFJFHSA-N 372.390 5.084 0 1 FKAF CC1=CC[C@H](c2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)C1(C)C 586992348 VQRRDGXUTKMEHH-QGZVFWFLSA-N 355.437 5.612 0 1 FKAF Clc1ccc(-c2nnc(CCc3nc4cc5ccccc5cc4[nH]3)o2)cc1 587075650 GKMBHVNWOUGDNS-UHFFFAOYSA-N 374.831 5.205 0 1 FKAF Cc1cc(C)c2[nH]c(-c3cc4cc(OC(F)(F)F)ccc4nc3C)nc2c1 587121810 LZWGCGLTMFJZEG-UHFFFAOYSA-N 371.362 5.602 0 1 FKAF CC(C)(C)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2n1 587134537 MTQHGCDPTDDMJH-QPJJXVBHSA-N 367.321 5.121 0 1 FKAF Fc1cc(Cl)cc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587230647 WBKAZHLJJLLZLE-UHFFFAOYSA-N 352.800 5.030 0 1 FKAF O=C1C[C@](c2ccccc2)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587506561 UDTIPLRDNBIGPD-VWLOTQADSA-N 372.439 5.614 0 1 FKAF CCc1cc(CC)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587604796 YRLWJSZQYYMBAV-ZJSXRUAMSA-N 374.436 5.220 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587952709 VWZJANOKHSAXTB-NVBFEUDRSA-N 358.379 5.767 0 1 FKAF CC1(C)CCC(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC1 587963613 PDHCLFRXYSPCDV-UHFFFAOYSA-N 360.807 5.874 0 1 FKAF Nc1ccc(-c2ccc3nc(C=C4C5CC6CC(C5)CC4C6)[nH]c3c2)cc1N 587965990 FOBKBZFTPKWMNU-UHFFFAOYSA-N 370.500 5.234 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc(F)cc2F)c1 1772624978 JXGHTJYIRPWBOB-UHFFFAOYSA-N 358.775 5.929 0 1 FKAF CCCCC=CCCCCCCCCCCCCCCCCC(=O)O 2356638394 BSDQMUMDKOWNMX-UHFFFAOYSA-N 352.603 8.059 0 1 FKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)cc1CCc1ccccc1 2356669263 UOVQVQCTFRPVOW-UHFFFAOYSA-N 350.502 6.118 0 1 FKAF C[C@H](c1ccc(F)c(Cl)c1)c1ccc2c(c1)Nc1ccccc1S2 2382221665 OVMHGEBJICABSI-GFCCVEGCSA-N 355.865 6.839 0 1 FKAF CC1(C)[C@H](Cc2ccccc2)C(=[N+]2CCCCC2)C=CN1Cc1ccccc1 2382227447 KMDZDCDQUYETQE-XMMPIXPASA-N 373.564 5.291 0 1 FKAF CCCCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2ccccc21 2382235651 DTPIRZUWFZLKKJ-UHFFFAOYSA-N 355.869 5.061 0 1 FKAF Fc1ccc([C@@H](c2c[nH]cc2-c2ccccc2Cl)n2ccnc2)cc1 5974405 WFTCMOKXIZPGMX-FQEVSTJZSA-N 351.812 5.308 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](O)[C@@H]1CCC(=O)O1 28340014 OTJVMNKQLGLEDZ-JTYVJBCUSA-N 358.522 5.585 0 1 FKAF Cc1cc(C)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1 28457919 JYWUBINDLWJNMN-UHFFFAOYSA-N 371.893 5.718 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)S1 33825922 HDPKJWICBWVRGV-HRCADAONSA-N 374.590 7.120 0 1 FKAF CC[C@@H](/C=C(\C)CCC=C(C)C)NCCNC1C2CC3CC(C2)CC1C3 45253430 BGJKJRQSZPQDSB-CMSNIBLESA-N 358.614 5.462 0 1 FKAF COc1ccc(NC(=O)Nc2ccc(/C=C/c3ccc(O)cc3)cc2)cc1 87722567 YRPHGZFXBQOXPA-NSCUHMNNSA-N 360.413 5.215 0 1 FKAF Fc1ccc(-c2c[nH]c(CNc3ccnc4cc(Cl)ccc34)n2)cc1 95558761 GRZVMCZGQOKYQE-UHFFFAOYSA-N 352.800 5.030 0 1 FKAF COC(=O)c1[nH]c2cc(C)ccc2c1Sc1cc(Cl)cc(Cl)c1 95580683 DZQLBGOSDNTPOW-UHFFFAOYSA-N 366.269 5.721 0 1 FKAF CCOc1cc(C(C)(C)C)ccc1C1=NC[C@@H](c2ccc(Cl)cc2)N1 96916549 LSIYAOPPHCNKAP-SFHVURJKSA-N 356.897 5.127 0 1 FKAF CO[C@]1(c2ccccc2)C=CC(C2CCCCC2)(C2CCCCC2)OC1 103215747 YHUMOHBAVZRGHY-HSZRJFAPSA-N 354.534 6.014 0 1 FKAF CC(C)Oc1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 586979775 AWESQZAGIRIZAO-UHFFFAOYSA-N 365.658 5.433 0 1 FKAF Cc1cc(Br)ccc1OCc1nc2cccc(C(C)(C)C)c2[nH]1 586981498 PXYRRUUUTFGUEY-UHFFFAOYSA-N 373.294 5.510 0 1 FKAF CC(=O)c1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992768 ZIZBDGXFGCYLFL-UHFFFAOYSA-N 365.388 5.021 0 1 FKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)n1 587079047 FWKLSMDSHNAGTJ-MRVPVSSYSA-N 374.819 5.663 0 1 FKAF COc1ccccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098932 VYGWMPYXEWPIFJ-UHFFFAOYSA-N 351.405 5.430 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1F 587153360 YXLOEVSDSUPKSG-GHMZBOCLSA-N 354.278 5.011 0 1 FKAF CC(C)=CCC/C(C)=C\CC/C(C)=C\Cc1c(C)nc2cccc3c2c1CC3 587213335 IHYZLWRLFRHDTO-NKYQRWQJSA-N 373.584 7.604 0 1 FKAF Cc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587354138 NAGCMQDODZPHDX-FYYLOGMGSA-N 362.400 5.114 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccccc4C)c1)[C@@H](C2)C3=O 587443488 AOZKHQLNUNTVHZ-GBXCKJPGSA-N 356.421 5.159 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(C)C)c(OC)cc1C)CC2=O 587482112 RYXCVVPHVDHKGE-QFIPXVFZSA-N 368.473 5.492 0 1 FKAF CCCCC[C@@]1(c2ccc(N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587510319 KHAMPQZINZQEDX-DEOSSOPVSA-N 363.501 5.589 0 1 FKAF COC(=O)CCCCCCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521973 DLQBIEAGMMDMMF-GOSISDBHSA-N 372.505 5.193 0 1 FKAF O=C1C[C@H](c2csc(-c3cccs3)n2)Oc2c1ccc1c2CCCC1 587535584 MGEWIJPEQZQROP-QGZVFWFLSA-N 367.495 5.457 0 1 FKAF C[C@]1(CCC2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602842 LLRKQIWLOQKESB-NFBKMPQASA-N 366.457 5.473 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cn(C)nc3C)c(C(=O)C(F)(F)F)c2c1 587640730 IYCGRAGQCVBCIU-SNVBAGLBSA-N 363.383 5.135 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C[C@H]2c2ccccc2)N1 587815174 KKHYZWQDLSDGGG-DKIXSGTJSA-N 374.297 5.141 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C3CC3)c2)N1 587816508 ZBFCYUYFGLGNTE-MPBGBICISA-N 374.297 5.263 0 1 FKAF COc1ccc2c(c1)[C@@](C)(c1ccc(C(C)(C)C)cc1)N(C(C)C)CC2 962089421 IVGFNWQAPBNBFN-XMMPIXPASA-N 351.534 5.523 0 1 FKAF COc1ccc(C2CC3(C2)c2ccsc2CCN3Cc2ccco2)cc1 962704975 IMVNIMXROZWCNM-UHFFFAOYSA-N 365.498 5.181 0 1 FKAF COc1cccc2cc3c(nc12)[C@H](c1cc2cc(C)ccc2s1)NCC3 963039015 SVPKOYXEPCEXRZ-QFIPXVFZSA-N 360.482 5.002 0 1 FKAF CC(=O)CC[C@@H]1C(C)(C)CCC[C@@]1(C)C(=O)CCC(C)=CCOC(C)=O 2356685901 KHGRKRPUNMGKCC-DENIHFKCSA-N 364.526 5.047 0 1 FKAF O[C@@H](C[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1660725 TVYRTICGBVJCSU-RTWAWAEBSA-N 357.280 6.249 0 1 FKAF O=C(O)c1ccc(CC2c3cc(Cl)ccc3-c3ccc(Cl)cc32)cc1 13741285 SHEGRQWCLOVBPW-UHFFFAOYSA-N 369.247 6.047 0 1 FKAF CC[C@@]12CCN(CC3CC3)[C@@H](C(=O)c3ccc(Nc4ccccc4)cc31)[C@@H]2C 27981866 YCJIZJTVBUVHIS-YRSQORNKSA-N 374.528 5.395 0 1 FKAF CC(C)C(=O)SCCCCCCC(=O)Nc1nc2ccccc2s1 28119036 LLIBTZQYXNMTLT-UHFFFAOYSA-N 364.536 5.101 0 1 FKAF Cc1ccc([C@@H](CCn2ccnc2)Oc2ccc(Cl)cc2Cl)cc1 28457705 PLELFTRFMQYUIS-GOSISDBHSA-N 361.272 5.709 0 1 FKAF COC(=O)C[C@@H]1CCC[C@@H](CCCCCCCCCCc2ccccc2)O1 33816133 UYTVHKZGZWOESS-PKTZIBPZSA-N 374.565 6.241 0 1 FKAF biogenic COC(=O)[C@@H](Oc1ccccc1)c1ccc(Oc2ccc(Cl)cc2)cc1 39242677 MUCSGWPEMYOACE-FQEVSTJZSA-N 368.816 5.425 0 1 FKAF CCCCn1c(C(C)C)nc2cc3c(Nc4ccc(C)cc4)ncnc3cc21 40913343 VZUUECYZNOGTQA-UHFFFAOYSA-N 373.504 5.955 0 1 FKAF N[C@H]1C[C@H]1c1ccc(OCC2CCCCC2)cc1OCC1CCCCC1 87613245 SWSWEUYPXYBKBC-VXKWHMMOSA-N 357.538 5.419 0 1 FKAF CCC/C=C/Oc1cc(NC(=O)N[C@@H](C)c2ccccc2)ccc1OC 95558452 HZZCNPCPIHIAQW-IDJPSDCMSA-N 354.450 5.271 0 1 FKAF CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2)C2=C(O)CCCC2=N1 103996602 CFCOBIFXIAQHHI-OAQYLSRUSA-N 365.473 5.371 0 1 FKAF COc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2ccc3ncccc3c21 104707586 HFIDYGPCJHUXET-QFIPXVFZSA-N 356.425 5.457 0 1 FKAF CCc1c([C@@H](C)c2c(F)cccc2Cl)nc(S[C@@H](C)CC)[nH]c1=O 169352212 HGXUUMSVWSUIFS-QWRGUYRKSA-N 368.905 5.167 0 1 FKAF CC(=O)c1ccc(-c2c(C)[nH]c(-c3ccccc3)c2-c2ccccc2)nc1C 169353759 QDHXRBMEFDIFHB-UHFFFAOYSA-N 366.464 6.230 0 1 FKAF Cc1c(-c2ccc(Cl)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986175 OQDHUFFPMFRVLG-UHFFFAOYSA-N 371.823 5.781 0 1 FKAF Clc1cc(Cl)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587048168 FZPUFLYTDSKNFT-DTWKUNHWSA-N 372.082 6.448 0 1 FKAF FC(F)(F)c1cnc2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587050052 OFBGZSQKESQHES-RKDXNWHRSA-N 372.177 5.555 0 1 FKAF Fc1cc2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2cc1Cl 587050876 RBUCDNZKFRNMMY-SFYZADRCSA-N 355.627 5.933 0 1 FKAF FC(F)(F)c1cc2nc(CCc3ccccc3Cl)[nH]c2cc1Cl 587059293 NUSNEURTKUUKSK-UHFFFAOYSA-N 359.178 5.674 0 1 FKAF CC[C@H](C)[C@H]1CC(=O)Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587101874 WWOWAGGOGUCEGZ-ORAYPTAESA-N 369.464 5.400 0 1 FKAF CCCCC[C@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587108209 ZIWLRBVCIZQLGB-MRXNPFEDSA-N 357.453 5.699 0 1 FKAF Cn1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(C(F)(F)F)c1 587115195 HRFUDMVQSPCGQP-UHFFFAOYSA-N 371.362 5.166 0 1 FKAF Cc1cc(-c2nc3cc(F)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145027 QWJNAGHTBQHMFX-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF Fc1ccc2[nH]c(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c(Cl)c2c1 587174043 DCASJLMPSKWGGE-UHFFFAOYSA-N 369.705 5.402 0 1 FKAF COc1ccc(C)cc1NCCCc1nc2cc(Cl)cc(Cl)c2[nH]1 587229275 UBIKXGBBVVTMGA-UHFFFAOYSA-N 364.276 5.231 0 1 FKAF Cc1[nH]c2c(Cl)cccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496385 BMTXJPGDKYOCTR-IBGZPJMESA-N 365.860 5.715 0 1 FKAF Cc1ccccc1-c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587515243 MIZQJSKYQCNQEL-QFIPXVFZSA-N 370.452 5.037 0 1 FKAF CC[C@@H](C)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525222 UBGKLFAUVLJXHI-QRQCRPRQSA-N 350.458 5.449 0 1 FKAF CCOC(=O)Cc1[nH]c2c(C)cc(Cl)cc2c1-c1ccccc1Cl 587623184 AAQSSHAPRHPQRO-UHFFFAOYSA-N 362.256 5.556 0 1 FKAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl 587698627 ZFVWYEWJCRIWMF-DYZYQPBXSA-N 368.677 5.174 0 1 FKAF C[C@@H](C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1 587817655 DHYIFFFDVXAZTO-OGHNNQOOSA-N 362.286 5.357 0 1 FKAF C/C(=C/c1ccccc1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821796 XTVFKNIAJYRVLV-CIYILRSASA-N 360.270 5.267 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCCCCCC2)N1 587823167 OQFPXLPXADHGFU-SGTLLEGYSA-N 354.307 5.524 0 1 FKAF Cc1nc(N[C@@H](C)c2ccc(F)cc2)cc(-c2ccc3ccn(C)c3c2)n1 653665976 UXYYPFAFCRAQQA-AWEZNQCLSA-N 360.436 5.256 0 1 FKAF CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2C=O)cc1 1772588424 PCFXPVFDNHYUOK-ZDUSSCGKSA-N 367.272 5.777 0 1 FKAF FC1(F)CCN(Cc2ccc3ccccc3n2)C[C@@H]1CCc1ccccc1 1772608238 ZANIVBLSRLIZLS-FQEVSTJZSA-N 366.455 5.325 0 1 FKAF CN(C)CCC[C@@]1(c2ccc(Cl)c(Cl)c2)OCc2ccccc21 1772656248 MQLHVOGYGMSPAT-IBGZPJMESA-N 350.289 5.109 0 1 FKAF c1ccc(CC2CCN(C[C@H]3CSC4(CCCCC4)S3)CC2)cc1 1911577596 NFYUFTSYYMYPCG-FQEVSTJZSA-N 361.620 5.450 0 1 FKAF CC(C)C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356495021 BKWBRNDZAJHCMT-XSLNCIIRSA-N 370.621 6.775 0 1 FKAF CCCCCC=CCC=CCCCCC[C@@H]1CC(=O)[C@H]2CCCC[C@H]2N1C 2356848299 PDIJVDGSENRHCD-TZRRMPRUSA-N 373.625 6.852 0 1 FKAF O[C@@H](c1cccc(Cl)c1)c1nc(-c2cnc3ccccc3c2)cs1 61906042 ALUWWDQBTSBBGA-SFHVURJKSA-N 352.846 5.093 0 3 FKAF Cc1cc(C)c(OC(=O)Nc2cccc3ccccc23)c(-c2ccccc2)c1 1854982 MBUINHZVXPNNPJ-UHFFFAOYSA-N 367.448 6.735 0 1 FKAF CC(C)CCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(C(C)C)cc1 2483823 DCUGUNIDWXCYSW-UHFFFAOYSA-N 356.510 5.538 0 1 FKAF C[C@@H]1CCC[C@@H](NC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)[C@@H]1C 4908630 MKXFCMDCSPFWIL-XHBSWPGZSA-N 356.853 5.189 0 1 FKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C3CCCC3)cc1OC2(C)C 13840300 KENIGRBQVUEUPI-RTBURBONSA-N 354.534 6.471 0 1 FKAF CCSCC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947024 WIBNXFJZSBZXAH-RPHTVSPISA-N 358.547 5.131 0 1 FKAF c1cc(NCCCCCCCCCCCCNc2ccncc2)ccn1 14947252 REGVEKPXUMXNPU-UHFFFAOYSA-N 354.542 5.902 0 1 FKAF CCN[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)OCC 26280305 NSDNBRPGVGPSKV-QHCPKHFHSA-N 360.419 5.302 0 1 FKAF O=c1[nH]c2cc(Cl)ccc2c(OCc2ccccc2)c1-c1ccccc1 26577970 WFXBBGYIFTWTGR-UHFFFAOYSA-N 361.828 5.428 0 1 FKAF C[C@H]([C@H](c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)N(C)C 28344021 ZZGVWUSRXVYCSC-VGOFRKELSA-N 365.521 5.001 0 1 FKAF CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1 28568132 KGGHNNBMUDVWMS-BPUDTRNYSA-N 351.534 5.403 0 1 FKAF CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(OCCC=C[C@@H]2C)c2ccccc21 66166211 BBKUPXVFOVUPDN-FGXWLSPUSA-N 365.517 5.534 0 1 FKAF CCCCOc1ccc(-c2nc(CN[C@@H]3C[C@@H](C)CC(C)(C)C3)co2)cc1 72181932 SELQFKLKFUYJGF-IEBWSBKVSA-N 370.537 5.825 0 1 FKAF Cc1ccc([C@@]2(N3CCCC3)OC(C)(C)c3cccc4cccc2c34)cc1 73351329 RGTNXPYETOQWBX-RUZDIDTESA-N 357.497 5.710 0 1 FKAF Fc1ccc(N(CCNCCCc2ccccc2)c2ccc(F)cc2)cc1 84759523 KCVDLYFIRMHDBH-UHFFFAOYSA-N 366.455 5.325 0 1 FKAF COc1cc2c(cc1[C@@H](C)NCCCCc1ccccc1)C=CC(C)(C)O2 96932057 WAZVBMRNWDQKGT-GOSISDBHSA-N 365.517 5.553 0 1 FKAF C[C@H]1[C@H]2Cc3ccc(NCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 100844458 BZXKIAFEGKPVMG-MUEKUWCCSA-N 360.545 5.233 0 1 FKAF C[C@H](N=O)c1ccc(Sc2cc([C@@]3(C)COC(C)(C)O3)cs2)cc1 169713708 KADXHSAARFZZMI-KPZWWZAWSA-N 363.504 5.725 0 1 FKAF Oc1nc(CCc2ccccc2)cc(Nc2ccccc2)c1Br 299820791 GZFCUKOOQJDEMM-UHFFFAOYSA-N 369.262 5.079 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](C1CCCC1)C3 586991824 WWRMWOGZELYIHX-CQSZACIVSA-N 355.437 5.057 0 1 FKAF Fc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c(F)c1F 587083830 OBDQKQPPCMYKSD-UHFFFAOYSA-N 359.738 5.363 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4cc(Cl)c(F)c(F)c4[nH]3)C2)c1 587131579 OUTDCQHEHMHRCI-UHFFFAOYSA-N 354.734 5.376 0 1 FKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cccc(Cl)c3[nH]2)cc1F 587149426 HAGSCXHQLWYJMS-IBGZPJMESA-N 370.786 5.663 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cccc(Br)c3[nH]2)c1 587150394 OSRDCLFDSXOFEV-UHFFFAOYSA-N 367.221 5.799 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587160350 BNBQHNNVNOTQMH-VHSXEESVSA-N 367.168 5.014 0 1 FKAF O=NCc1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1 587189697 FGYPLGHZHZRLNK-UHFFFAOYSA-N 355.703 5.048 0 1 FKAF Cc1nc(Nc2ccc(F)cc2)sc1-c1cc2c3c(cccc3n1)CC2 587212907 MFQGBHRDTCRTRD-UHFFFAOYSA-N 361.445 5.648 0 1 FKAF Cc1ccc2c(c1)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348675 DTQAZGFFFFRJNT-UPVQGACJSA-N 374.411 5.040 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cc(Cl)ccc3n1)CC2=O 587460115 FZCQGQIRPNWKFX-HXUWFJFHSA-N 367.832 5.253 0 1 FKAF O=C1C[C@H](c2cc3cc(Cl)cnc3o2)Oc2c1ccc1c2CCCC1 587498444 INTXVTQTYOJTAB-GOSISDBHSA-N 353.805 5.067 0 1 FKAF COc1ccc([C@@H](C)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524222 KPTWLFGVLGTNCP-CMJOXMDJSA-N 350.458 5.102 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C)cc3)c2c1 587642631 UBXPGQIKQBDJHX-CYBMUJFWSA-N 359.391 6.240 0 1 FKAF Cc1oc2ccccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587827577 KTCVWSHGXBBRRO-DGIBIBHMSA-N 374.253 5.266 0 1 FKAF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)oc2ccccc12 587828482 NQVTVVPOWBMRGV-XTZNXHDOSA-N 374.253 5.266 0 1 FKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc([C@H]3CCOC3)n2)cc1 587922920 ICQVSHWMNGPFGU-AWEZNQCLSA-N 364.445 5.601 0 1 FKAF Fc1c(Br)ccc2nc(/C=C/c3cccc4ccccc34)[nH]c12 587970174 ZJSIITBPFUARHG-DHZHZOJOSA-N 367.221 5.788 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]12CCc1cc(Cl)c(Cl)cc12 963236895 GTBRVCCFCUEIML-SZNDQCEHSA-N 360.328 5.840 0 1 FKAF FC(F)(F)Oc1cccc(-c2n[nH]c3ccnc(-c4ccsc4)c23)c1 1857598809 NOYSCBDWACNTLX-UHFFFAOYSA-N 361.348 5.252 0 1 FKAF CCCCCCOc1ccc(C(=O)CC[N@]2C[C@@H]2C)c(Cl)c1Cl 1857742129 QPYPZIGCECYCFX-YEJXKQKISA-N 358.309 5.229 0 1 FKAF CC1=C2C[C@@]3(C[N@]4C[C@]45CC[C@H](CCCO)C5)CC[C@@H](C)[C@@]2(CC1)C3(C)C 2356501343 WGPUEWMIWBAADN-YGWWIXQMSA-N 371.609 5.556 0 1 FKAF CCCCc1c(-c2ccccc2OC)ncn1Cc1cccc(F)c1F 198626834 HDBULGGAEDAGQU-UHFFFAOYSA-N 356.416 5.228 0 3 FKAF CCN(c1ccccc1)c1nc(Nc2ccccc2C)nc2ccccc12 13742289 DJLUXYBZWMQKTE-UHFFFAOYSA-N 354.457 5.840 0 1 FKAF O[C@H]1CCCc2nc3cc(Cl)ccc3c(NCc3ccc(F)cc3)c21 14946524 WUNJSFUQRGEAEJ-SFHVURJKSA-N 356.828 5.009 0 1 FKAF COc1cccc2c1-c1ccc3c(c1[C@@H]([C@H]1C=CCC1)O2)C(C)=CC(C)(C)N3 29409621 BDZQBRNZPXXVRN-UPCLLVRISA-N 373.496 6.369 0 1 FKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)c1sccc1-2 33827337 BQUDFNSJTOYURU-HUUCEWRRSA-N 358.547 7.068 0 1 FKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(-c3cccc4ccccc34)cc1OC2(C)C 36294580 FRSKJNRWKGKNPJ-FGZHOGPDSA-N 370.492 6.823 0 1 FKAF Cc1cc2c(cc1C(=O)c1ccc(C(=O)O)c(F)c1)C(C)(C)CCC2(C)C 45285296 MBYJFBOWWUYWJI-UHFFFAOYSA-N 368.448 5.412 0 1 FKAF CCc1cnc(-c2cnc(NC3CCCC3)nc2-c2ccccc2)s1 82219599 WYSIKTXBPGGZSL-UHFFFAOYSA-N 350.491 5.184 0 1 FKAF CCCCCOc1cc(NC(=O)N[C@@H](C)c2ccccc2)ccc1OC 95561964 XKRHVQZIBBCTOO-INIZCTEOSA-N 356.466 5.147 0 1 FKAF CCOc1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 167763222 RQBHMJRYNQOYTR-UHFFFAOYSA-N 364.426 5.290 0 1 FKAF Cc1ccc(CSCCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 586971451 SBTNSCAZVDHZGD-UHFFFAOYSA-N 374.509 6.140 0 1 FKAF FC(F)(F)Sc1ccc2nc(CNc3ccccc3Cl)[nH]c2c1 587061711 IKYZNDZXOIDTSV-UHFFFAOYSA-N 357.788 5.440 0 1 FKAF Cc1ccc2c3c(c([C@@H](C)C(=O)OC(C)(C)C)cnc13)-c1ccccc1C2=O 587097513 PYIBIOPUXULLFD-CQSZACIVSA-N 373.452 5.200 0 1 FKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1C 587107091 NWUFFJJLXHPHGB-UHFFFAOYSA-N 351.405 5.430 0 1 FKAF Cc1nccc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 587112590 WLVFBXDHCWGFDF-UHFFFAOYSA-N 373.300 5.089 0 1 FKAF CCC[C@H]1CC[C@H](CC[C@H]2CCc3nc4cccc5c4c(c3C2)CC5)CC1 587215855 WFAXBHCMMFEZMJ-UFYCRDLUSA-N 361.573 6.825 0 1 FKAF CCCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515671 NXALUUCCSCYYSO-DEOSSOPVSA-N 373.496 6.027 0 1 FKAF CCOc1ccc2[nH]cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587522221 DVWBGDGLTDFBLO-JOCHJYFZSA-N 361.441 5.152 0 1 FKAF CCCc1ccc([C@@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526873 XJYCFVWIQVWLIP-VWLOTQADSA-N 362.513 6.035 0 1 FKAF CC(C)(C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 587604025 UAWKYTNAXHCUGF-SFTDATJTSA-N 374.436 5.090 0 1 FKAF Cc1cc(Cl)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587699607 SWHSYUJRDVEXLU-BMLIUANNSA-N 368.677 5.174 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cnc4ccccc4c3[nH]2)c1 587780112 LOKVARZWZQRHPT-UHFFFAOYSA-N 365.436 5.844 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2CCC2)N1 587820992 SBYRZNNLRSPILG-RNODOKPDSA-N 374.297 5.166 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2c2ccccc2)N1 587824849 ZFWQBCIWADHDQW-AUJRIZCKSA-N 374.297 5.285 0 1 FKAF Oc1ccc(-c2cc(-c3cccs3)cc(-c3ccc(Cl)cc3)n2)cc1 653731188 BIISGTUPAMCTTD-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF Cc1ccc([C@]2(c3cccs3)NCCc3cc(C)c(F)cc32)cc1C 962094046 RCXCMCQWXKRVES-QFIPXVFZSA-N 351.490 5.250 0 1 FKAF Cc1ccc(N(C)c2ccc([C@@H]3NCCc4c3sc(C)c4C)cc2)cc1 963012295 PZXRESMSTZYAQT-QFIPXVFZSA-N 362.542 5.676 0 1 FKAF Fc1ccc(C[n+]2ccc(Cn3c4ccccc4c4ccccc43)cc2)cc1 1857537607 KYGCSLVFRRPCMO-UHFFFAOYSA-N 367.447 5.318 0 1 FKAF CC(=CCC[C@@]1(C)CCc2cc(O)cc(C)c2O1)CCC[C@@H](C)C(=O)O 2356588621 BYBSVSPLZOCDCC-ZHRRBRCNSA-N 360.494 5.402 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5COC(=O)[C@@H]54)C3=CC[C@H]12 2356796011 MSEJIVNGRHWOTL-RHEDTODXSA-N 354.534 5.685 0 1 FKAF COc1cc(-n2cccc2-c2cc3ccccc3s2)cc(OC)c1OC 2382250864 CJNHENTUFYUCBG-UHFFFAOYSA-N 365.454 5.385 0 1 FKAF CSCCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 14947027 NXBZLFOYWHWZLN-GPHNJDIKSA-N 358.547 5.131 0 1 FKAF Cc1cc2nc(-c3ccc(/C=C\C(=O)NC4CCCCC4)cc3)[nH]c2cc1C 51028151 XKMJVUSQCZZTBH-RAXLEYEMSA-N 373.500 5.309 0 1 FKAF O=C(c1ccc(NCc2ccco2)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 64549916 XLXCXSXSOSKIKT-PMACEKPBSA-N 351.833 5.532 0 1 FKAF COc1cccc([C@H](C)Nc2cc(-c3cccc4[nH]ccc34)nc(C)n2)c1 141925237 ZUIUJSCGGJLCLH-AWEZNQCLSA-N 358.445 5.115 0 1 FKAF O=C(Nc1ccc(F)cc1)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 164852607 UAYHXADQHWNHSZ-UHFFFAOYSA-N 364.355 5.152 0 1 FKAF CC[C@@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169359279 DAXMFHJYAYLAJM-UYOVWSHUSA-N 373.581 5.081 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCC(C)(C)C(=O)NC(C)C 169362294 APMHRGDNLGREMG-OEOXXNNKSA-N 373.625 7.293 0 1 FKAF Cc1cc(/C=C2/SC(=O)NC2=O)ccc1OCCCC1CCCCC1 215023134 XQGPPYFBVOHDNJ-QGOAFFKASA-N 359.491 5.058 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2Cc1ccccn1 253634257 LYEZZXKWQAOTRN-QBYMRDTHSA-N 363.545 5.484 0 1 FKAF Cc1nc([C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)co1 261136323 MCSQKDICBVZIBS-XRXSLLSESA-N 355.522 5.390 0 1 FKAF Fc1ccc(CCCc2sc3ncccc3c2-c2ccc(F)cc2)cc1 299829895 SUYUARMLZNLUMT-UHFFFAOYSA-N 365.448 6.417 0 1 FKAF CCO[C@H](C)c1nc(C)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)s1 587015169 ZIFKXTXQKPEHQO-SECBINFHSA-N 355.385 5.111 0 1 FKAF Cc1cccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c12 587069925 FZXSGCVRHHQJID-FXUSHXQNSA-N 371.311 6.544 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(C(C)(C)C)c2[nH]1 587070095 PRYBNPAEACETTR-ZDUSSCGKSA-N 354.881 5.890 0 1 FKAF Fc1cc(Cl)cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587083700 GVYKQKGQFJHLOO-UHFFFAOYSA-N 358.203 5.738 0 1 FKAF Cc1ccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1C(F)(F)F 587095040 NVOJWGQYSWQQCV-UHFFFAOYSA-N 360.166 5.183 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(Cl)ccc1CC3 587104239 QNRIYOFBZOKFNK-UHFFFAOYSA-N 367.835 5.865 0 1 FKAF COc1c(F)ccc(F)c1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587132715 KEZWMVZJWDJZHW-UHFFFAOYSA-N 360.307 5.129 0 1 FKAF CCc1c(-c2ccc3c(c2)nc(S)n3CC)nc2cccc3c2c1CC3 587217086 TUSMRPQFOWJYAU-UHFFFAOYSA-N 359.498 5.221 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1 587235138 LZUQLCAYJZJSFM-UHFFFAOYSA-N 367.374 5.957 0 1 FKAF O=C(c1c(C(F)(F)F)cnc(Cl)c1Cl)c1coc2ccccc12 587280883 GGXIEATZYUMOKR-UHFFFAOYSA-N 360.118 5.384 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C)[C@H](C)C3)c1 587366974 PEEPOKPPPMOZHN-HUUCEWRRSA-N 357.453 6.027 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(SC(C)C)cc1)CC2=O 587489642 CVXVXQDWNYOOIX-FQEVSTJZSA-N 356.487 5.552 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccsc3)s1)CC2=O 587493388 GPIISNOELSYEQF-QGZVFWFLSA-N 370.495 5.841 0 1 FKAF CC[C@@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501464 BVIXNPUVNAJOSQ-QFIPXVFZSA-N 372.411 5.438 0 1 FKAF CC(C)(C)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587533965 SXNBWTLJSFHGPJ-HXUWFJFHSA-N 350.458 5.275 0 1 FKAF COc1ccccc1C(=O)c1c(C(F)F)[nH]c2cc(Cl)c(F)cc12 587629694 XPTBCOYCRPYHGC-UHFFFAOYSA-N 353.727 5.138 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C)s3)c2c1 587642388 RKKFRSVPDNYFBA-SNVBAGLBSA-N 365.420 6.301 0 1 FKAF Clc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c(Cl)n1 587955436 JCCQMMLYGDXJOY-HNNXBMFYSA-N 368.267 5.639 0 1 FKAF COc1ccc(-c2c(Nc3ccc(F)cc3)c3ccccc3oc2=O)cc1 1772604851 HAKSGLFIIOAXOQ-UHFFFAOYSA-N 361.372 5.351 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(F)cc3)nc3c2Cc2cccc(O)c2-3)cc1 1857555211 KLRAAZJEXBREHR-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF C[C@@H]1C[C@H](C(=O)Nc2nc3c(F)c(F)c(F)cc3s2)CC(C)(C)C1 1857764899 JAEMOXLUSZYPQQ-BDAKNGLRSA-N 356.413 5.115 0 1 FKAF C[C@H](CCCN(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 6036366 LJQDDVJEZIEHNY-FHNVJLOUSA-N 373.669 7.013 0 1 FKAF in-vitro CCC[C@H](C)n1c(CC)nc2c(-c3ccc([C@@H](C)O)cc3Cl)ccnc21 13479621 JXYKNBFFDJBIFG-UONOGXRCSA-N 371.912 5.729 0 1 FKAF CCCC1CCC(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1 13553192 XUNGUUJFDMFAKR-UHFFFAOYSA-N 369.471 5.348 0 1 FKAF CCCCCCN(C)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12 13833111 WRSQKPUDJVYVLQ-UHFFFAOYSA-N 366.480 5.555 0 1 FKAF CC(C)(C)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 27722923 DNCBGXXIJMEXST-UHFFFAOYSA-N 370.471 6.847 0 1 FKAF NC[C@@H](O[C@H](c1ccccc1)c1ccc(Cl)cc1Cl)c1ccccc1 45358833 LOIQBFGRVRSEIL-NHCUHLMSSA-N 372.295 5.799 0 1 FKAF Fc1ccc(-c2nn3c(OC4CCCC4)cccc3c2-c2ccncc2)cc1 45498222 MNPBHRLZOFHULS-UHFFFAOYSA-N 373.431 5.524 0 1 FKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1cccc(Cl)c1 96940151 IPMCYMMTHCXUCZ-UHFFFAOYSA-N 360.840 6.397 0 1 FKAF NCCCCCCCCCCCCNc1ccnc2cc(Cl)ccc12 137849833 JGNGALFRHHMDPE-UHFFFAOYSA-N 361.961 6.160 0 1 FKAF Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c1 148615878 QOUFOUKZPOFDSA-UHFFFAOYSA-N 364.832 5.153 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4COCCC[C@]34C)[C@@H]1CC=C2c1cccnc1 169209389 IKGAOVKRBWWORL-VJLLXTKPSA-N 351.534 5.744 0 1 FKAF COC(=O)/C=C(C)/C=C\C(F)=C(C)/C=C/c1c(C)cc(OC)c(C)c1C 169317427 WAGPMOVHOFWZBB-XJEIZCAFSA-N 358.453 5.553 0 1 FKAF CO[C@@H]1CCC[C@H](c2cc(O)c3c(c2)OC(C)(C)C2=C3C[C@H](C)CC2)C1 299849201 XGSFJDGYMAHCQS-HLLBOEOZSA-N 356.506 5.809 0 1 FKAF Cc1c(Cl)ccnc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586993359 KXFMKLJPDQGRKD-UHFFFAOYSA-N 370.839 5.778 0 1 FKAF Cc1cc(F)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 587063182 HFGQYUZALUAALR-UHFFFAOYSA-N 366.823 5.910 0 1 FKAF CSc1ccc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587112029 CVSMZMGKCRZMIO-NSHDSACASA-N 350.409 5.650 0 1 FKAF Cc1ccc2c(ccc3[nH]c(C(=O)c4c(Cl)ccc(F)c4Cl)nc32)n1 587132944 LFOSPUPPODIFGR-UHFFFAOYSA-N 374.202 5.096 0 1 FKAF CC(=O)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587162388 AJJKSFRAUFMNPK-BOPFTXTBSA-N 362.429 5.555 0 1 FKAF CCCc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)s1 587207085 AZMQHUUABWWGCN-UHFFFAOYSA-N 355.462 6.127 0 1 FKAF C[C@@H]1CC(C)(C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587358441 YFOKAYNGHKFPEJ-ZTWLPKFNSA-N 368.448 5.475 0 1 FKAF CC[C@H]1CCc2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C1 587364743 CGOGETGLUNGSEU-HNNXBMFYSA-N 357.453 6.172 0 1 FKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(C(C)C)CC2=O 587460059 FIUPYSUPRPGZKH-QFIPXVFZSA-N 372.892 5.601 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(Cl)cc2C[C@@H]1C 587461392 KDDOPPFDHXQLML-LAJNKCICSA-N 356.849 5.051 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1cc3ccccc3o1)(C1CC1)CC2=O 587486116 XAVWQJDNJJTPTJ-QHCPKHFHSA-N 362.425 5.362 0 1 FKAF O=C1C[C@H](c2ccccc2-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587508589 PZQLPTCBFGSVPI-XMMPIXPASA-N 372.439 6.078 0 1 FKAF CCc1ccc(-c2[nH]c3ccc([C@H](C)CC)cc3c2C(=O)C(F)(F)F)cc1 587639779 COXNRQQGONNHGX-CYBMUJFWSA-N 373.418 6.656 0 1 FKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 587927845 VDRQGNIDZQYARO-GFCCVEGCSA-N 364.367 5.141 0 1 FKAF Cc1cc(Br)c2[nH]c(/C=C/c3cccc4ccccc34)nc2c1 587969015 PITDQRXFOIWMDE-MDZDMXLPSA-N 363.258 5.957 0 1 FKAF O[C@H](c1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12 1857541555 AVKNIBNCWWDXAR-JOCHJYFZSA-N 365.835 5.564 0 1 FKAF CC(C)=CCCC(C)=CCC[C@]1(C)Oc2cc(C)c(C=O)c(O)c2C[C@@H]1O 2356325542 YKPVOJYAYMWOJZ-GMAHTHKFSA-N 372.505 5.041 0 1 FKAF COc1cc2[nH]c3c(CC=C(C)CCC=C(C)C)c(O)ccc3c2cc1C 2356678745 RTEIBQDXHHQYRJ-UHFFFAOYSA-N 363.501 6.579 0 1 FKAF CC(=O)c1ccc2c(c1)N(Cc1ccc3ccccc3c1)C(=O)[C@@H](C)S2 61908975 OFQPTKFOLGOMDM-OAHLLOKOSA-N 361.466 5.070 0 3 FKAF CC12Oc3ccc4ccccc4c3CC1Cc1c(ccc3ccccc13)O2 1616842 BXZCDVKPNGPGTC-UHFFFAOYSA-N 352.433 5.895 0 1 FKAF Brc1ccc2[nH]cc(-c3csc(-c4ccccn4)n3)c2c1 1863773 KOYYFXGVZHRNHN-UHFFFAOYSA-N 356.248 5.116 0 1 FKAF CC(=O)O[C@@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)CCC[C@H]32)C1 3850071 PISMGMNRZZPIQZ-WBIUVFFSSA-N 360.538 5.310 0 1 FKAF biogenic CC(C)c1c(Cl)cc2c(c1Cl)CC[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 13302838 RKQWIQSTFSBVMQ-CWFSZBLJSA-N 369.332 6.212 0 1 FKAF biogenic CCNc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(Cl)c1 13835096 VMXIDNOKAXEMAW-UHFFFAOYSA-N 363.288 5.408 0 1 FKAF CCOC(=O)c1ccc(/C=C(C)/C=C/C2=C(C)CCCC2(C)C)c(OC)c1 28755759 YPMZUGMKTDSWBF-WFKIQOLASA-N 368.517 6.358 0 1 FKAF CC(=C/C(=O)O)/C=C/[C@H]1C[C@]1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C 34008853 HMDVFKHLXNHBGR-TXXFPOLCSA-N 366.545 6.209 0 1 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@H]([C@@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1 34136400 MYTBMURTERFGRG-DKPSIXJISA-N 358.614 5.104 0 1 FKAF biogenic CN(C)C1CCC(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)CC1 34806265 WNDQUNBYWXFFGU-UHFFFAOYSA-N 366.534 5.255 0 1 FKAF C[C@@H](N[C@H](C)c1ccn(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 45317053 VRVCXHIFTPXAPT-HUUCEWRRSA-N 359.395 5.303 0 1 FKAF CCCCCOc1ccc([C@](C)(O)/C=C/C2=C(C)CCCC2(C)C)cc1 49066761 UMXWKOMHOPORAF-VUNQTZOZSA-N 356.550 6.546 0 1 FKAF CCC(CC)n1ccc2c(Cc3c(C)cc(C)cc3C)nc3ccnn3c21 72120098 STZUQSKHHQPAIP-UHFFFAOYSA-N 360.505 5.561 0 1 FKAF COc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(F)cc2)cc1 84715028 GOUBWDQQZZXKBX-UHFFFAOYSA-N 373.431 5.299 0 1 FKAF Fc1ccc([C@@H]2C[C@@H]3CC[C@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1 101388807 LSHLQBBAJNMIOH-GPHNJDIKSA-N 365.473 6.016 0 1 FKAF CCOc1cc([C@@H]2Nc3ccccc3N=C3CCCC(O)=C32)ccc1O 103921528 MMBHGWAFBKOCBC-NRFANRHFSA-N 350.418 5.026 0 1 FKAF O=NC=C1C=CN(CCCCCCCCCN2C=CC(=CN=O)C=C2)C=C1 162062985 BJUXJFCPBGTJRD-UHFFFAOYSA-N 368.481 5.704 0 1 FKAF CCCCN(CCCC)C[C@H](O)c1ccnc2cc(C(F)(F)F)ccc12 169334891 JJZNAEOTHHNZCR-IBGZPJMESA-N 368.443 5.189 0 1 FKAF Clc1cccc(O[C@H](CC2CNC2)c2ccc(Cl)c(Cl)c2)c1 299840552 XZQIYFJCZFNASH-QGZVFWFLSA-N 356.680 5.376 0 1 FKAF COc1cccc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c12 586882468 USEWZGNVKKIUDL-UHFFFAOYSA-N 356.425 5.086 0 1 FKAF COc1ccccc1-c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586991324 JJBNJYWEFUOXRJ-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF Oc1nncc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587049200 INOLEUWMDXRWPP-UHFFFAOYSA-N 372.815 5.199 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(OC)c(Cl)cc2[nH]1 587062773 VUVJGXSYQPHURR-CQSZACIVSA-N 351.233 5.408 0 1 FKAF Clc1ccccc1-c1nc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)co1 587063109 OWIGKAPREGDDQJ-UHFFFAOYSA-N 365.607 5.240 0 1 FKAF Cc1c(CC(=O)c2ccc(C(F)(F)F)cc2)nc2cccc3c2c1CC3 587210375 QJJNNLPCSQDCHT-UHFFFAOYSA-N 355.359 5.086 0 1 FKAF C=C=C[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349338 BPLLGNORAYHWIQ-SIKLNZKXSA-N 352.405 5.016 0 1 FKAF COc1cccc(-c2c(C)c([C@H]3CCCNC3)nc3c2oc2ccccc23)c1 587363718 UFFVBBUOMANWBF-KRWDZBQOSA-N 372.468 5.432 0 1 FKAF CCCC[C@]1(c2ncccc2C)CC(=O)c2ccc(O)c(CCC)c2O1 587484832 GOCDJCXMKCINQK-JOCHJYFZSA-N 353.462 5.099 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(CC/C=C(\C)CCC=C(C)C)CC2=O 587489106 LZEDMSNOACSJLW-IRUWDQCASA-N 370.533 6.542 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccn3)cc1)CC2=O 587493087 ZOINFARIFUJHNW-QFIPXVFZSA-N 359.425 5.113 0 1 FKAF O=C1C[C@H](c2cc(-c3cccnc3)ccc2O)Oc2c1ccc1c2CCCC1 587516361 WKQQKURSJWQBHD-HSZRJFAPSA-N 371.436 5.040 0 1 FKAF Cc1cc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)oc2cc1C 587533215 OYSRTSKFEJWPGE-XMMPIXPASA-N 360.453 5.809 0 1 FKAF CCc1c(-c2ccc(Br)c(C)c2)[nH]c2ccc([C@H](C)CC)cc12 587638948 KNGKFGYROWWERR-CYBMUJFWSA-N 370.334 6.982 0 1 FKAF CC[C@H](C)c1ccc2[nH]c([C@@H](C)NC(=O)OC(C)(C)C)c(CCOC)c2c1 587641901 IJDFTUVDPIKECW-LSDHHAIUSA-N 374.525 5.456 0 1 FKAF CC/C=C/CCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817492 CPPGGYVVUCDNLB-RMLGOWPTSA-N 368.334 6.080 0 1 FKAF CC[C@]1(C)C=C[C@@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587819251 USUFJBGVSRGJMB-RZAIGCCYSA-N 352.291 5.084 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C)CC2CCCCC2)N1 587820014 NQIUDEHVMUWAJY-VLXJIEOASA-N 368.334 5.770 0 1 FKAF C[C@H](C[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)CC(C)(C)C 587821793 XQSPHNACGPRWJB-TYNCELHUSA-N 356.323 5.626 0 1 FKAF FC(F)(F)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955629 KBQBSERIRDMEIQ-GOSISDBHSA-N 366.386 5.956 0 1 FKAF COc1ccc2c(c1)[C@]1(CCCC2)NCCc2cc(-c3ccccc3)ccc21 962666326 JXSFQBDEPDHGCU-AREMUKBSSA-N 369.508 5.478 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CCSc2ccccc2)N1 962950631 RXUQCXTZNSUWHH-OPAMFIHVSA-N 350.531 5.490 0 1 FKAF Cc1ccccc1[C@@]1(c2cccs2)c2c(F)cccc2C[C@@H]2CCCN21 963097788 HKZVVRJMERMUDY-FDDCHVKYSA-N 363.501 5.508 0 1 FKAF S=C(Sn1ccc2ccccc21)N1CCC(Cc2ccccc2)CC1 1857563305 KRBNAUOYEREKTL-UHFFFAOYSA-N 366.555 5.377 0 1 FKAF O=C(Nc1cccc(-c2ccccc2)c1)Nc1cccc(-c2ccccc2)c1 1857642046 HLLYKFRFUCJBRJ-UHFFFAOYSA-N 364.448 6.665 0 1 FKAF Nc1sc2ccc(-c3ccccc3)cc2c1Nc1ccc(F)c(Cl)c1 1857774916 XLNOMARZACAGFE-UHFFFAOYSA-N 368.864 6.687 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 2356453885 PISAKMAGVQHRRZ-PFUHKCGDSA-N 370.621 6.775 0 1 FKAF COc1ccc(-c2ccc(C(=O)NC3CCCCC3)c3occc23)c(C)c1 61897714 SNHCRORFSCLZAJ-UHFFFAOYSA-N 363.457 5.479 0 3 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)c(F)c3)c(CC(=O)O)c2c1 3746125 QUBVMCHKRBCSRQ-GFCCVEGCSA-N 355.409 5.123 0 1 FKAF Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)cc2)n2ccnc2)cc1 5974193 DBDGQVVQYMKPAS-FQEVSTJZSA-N 368.267 5.823 0 1 FKAF CN(Cc1ccc(/C=C/c2ccccc2)cc1)Cc1cccc2ccccc12 6437544 HQMGVVPNLBMWSO-CCEZHUSRSA-N 363.504 6.642 0 1 FKAF CCCCC/N=c1\ccn(-c2ccc3ccccc3c2)c2cc(Cl)ccc12 29552376 JPBDDULRFYNDQM-WNAAXNPUSA-N 374.915 6.528 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 33820896 SYFCKVBOAHVZLE-YUHXZNIQSA-N 374.565 5.715 0 1 FKAF CC/C=C\C/C=C\C/C=C\CCCCCCCCCc1ccc(C=O)[nH]1 49021775 VEOUIFWXVMDSPJ-PDBXOOCHSA-N 355.566 7.349 0 1 FKAF Clc1ccccc1CN[C@H]1CCCC[C@@H]1NCc1ccccc1Cl 66099967 XDBJAXHEOYTFTA-PMACEKPBSA-N 363.332 5.184 0 1 FKAF Clc1ccc(Cl)c(-c2nc3ccccn3c2NC2CCCCC2)c1 72177857 NCBSLAAFKZNRJH-UHFFFAOYSA-N 360.288 6.053 0 1 FKAF CCOc1ccccc1CNCc1coc(-c2cccc3ccccc23)n1 72183954 DUCRPQMTENYTRT-UHFFFAOYSA-N 358.441 5.183 0 1 FKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@@H]1c1cccc(F)c1 84759428 RLSQHBPQCFEAPR-IBGZPJMESA-N 352.434 5.067 0 1 FKAF CC[C@H]1CCC[C@@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)C1 96175017 JAINFWWOGRETLN-FUHWJXTLSA-N 372.472 5.292 0 1 FKAF Clc1ccc(C2=NO[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 103291892 VBGJUHJPZFPSSP-JOCHJYFZSA-N 363.844 5.785 0 1 FKAF Cc1ccccc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 117413280 XKCPTMMOWPCFIC-UHFFFAOYSA-N 357.457 5.188 0 1 FKAF O=C(O)c1ccncc1NC[C@@H]1CCCc2cc(Oc3ccccc3)ccc21 221405324 RUIDTLFWDJICDV-KRWDZBQOSA-N 374.440 5.104 0 1 FKAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586912423 OMUZJEXRCZCYHT-KSSFIOAISA-N 363.486 5.512 0 1 FKAF Cc1ccc(-n2ccnc2SCc2nc3c(C)ccc(C)c3[nH]2)c(C)c1 586966357 KVXLQMNPDZQZQC-UHFFFAOYSA-N 362.502 5.275 0 1 FKAF CCc1ccc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2c1 586976997 LPTNPVFNKPBFST-RMKNXTFCSA-N 357.251 5.067 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(Cl)cc4O)nc13)-c1ccccc1C2=O 586992529 GTZYNDWBVHLLGO-UHFFFAOYSA-N 371.823 5.781 0 1 FKAF Oc1ccc2scc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2c1 587031483 HPRYMZMMNKFEPJ-UHFFFAOYSA-N 374.490 6.301 0 1 FKAF Cc1ccnc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c12 587056945 QLIMNKVJJIUSDI-UHFFFAOYSA-N 374.227 5.412 0 1 FKAF Cc1c(Br)ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587085305 RSTPKGVSNMARNW-UHFFFAOYSA-N 372.653 5.502 0 1 FKAF Cc1cc2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2c(C)n1 587094797 HUKAMPACOXRLBQ-UHFFFAOYSA-N 359.273 5.279 0 1 FKAF COc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1C 587163796 LCYZAPMKWPDGTE-LFIBNONCSA-N 364.445 5.669 0 1 FKAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587164415 VCPZWDCJZOVXSQ-OAQYLSRUSA-N 361.420 5.145 0 1 FKAF Cc1c(Cl)ccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c12 587198277 WNADDYQLIPGOMM-OAHLLOKOSA-N 351.878 5.089 0 1 FKAF C[C@]1([C@H]2C[C@H]3CC[C@@H]2C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357480 UMTBLFHGFCGMSR-QFDMSYBCSA-N 366.432 5.085 0 1 FKAF COc1cccc(-c2cc(CCC(C)(C)C)nc3c2oc2ccccc23)c1 587366178 TZQNZJOMAVPSDB-UHFFFAOYSA-N 359.469 6.635 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC(C)C)c1)CC2=O 587480555 LBSOIRBACYCASJ-NRFANRHFSA-N 354.446 5.086 0 1 FKAF CCCc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587527116 VEMBILQYGHYJCR-JOCHJYFZSA-N 350.458 5.233 0 1 FKAF Cc1c(Cl)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546455 QVVCVEANPNXECF-RXVVDRJESA-N 366.800 5.057 0 1 FKAF COc1ccc2nc(C)c(Cc3c(C)[nH]c4cccc(F)c34)c(Cl)c2c1 587634270 XELBUDSWXYXWPF-UHFFFAOYSA-N 368.839 5.725 0 1 FKAF Clc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783555 CFTSALCITADXKJ-JYRVWZFOSA-N 360.844 5.966 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(Cl)cc(Cl)c1 587871355 UQMSYXUPJOXIRH-UHFFFAOYSA-N 351.208 5.384 0 1 FKAF Oc1ccc(-c2ccc(-c3nc(-c4cccc(Cl)c4)cs3)cc2)cc1 587920048 BPTYDTOFOGZPSW-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF CC(C)=C1NCCc2ccc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)cc21 963106786 LLRSQVKKGVMGQR-NRFANRHFSA-N 373.327 5.125 0 1 FKAF CCCc1nn(C)c2c(Nc3cccc(C)c3)nc(/C=C/c3ccco3)nc12 1857549863 CBEFUEKWQGEJSH-VAWYXSNFSA-N 373.460 5.131 0 1 FKAF O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2n[nH]cc2c1 1911577802 HQPYTCSGVUTVMA-UHFFFAOYSA-N 363.804 5.325 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@H](C(=O)O)P(=O)(O)O 1887054 ZGQGOYOQFWFRGW-ANFLJRJNSA-N 372.442 5.207 0 1 FKAF CCN(CC)[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21 26579029 FIJOQRLYVALYIU-UZLBHIALSA-N 364.316 5.921 0 1 FKAF O=C(O)c1c2c(nc3ccc(F)cc13)-c1cc(-c3ccccc3)ccc1CC2 26838234 FBWJCDJWYZBUMT-UHFFFAOYSA-N 369.395 5.505 0 1 FKAF Cc1ccc(-c2cc([C@@H](O)[C@H]3CCCCN3)c3cc(C)cc(C)c3n2)cc1 27524268 VOPRLSQHNFTEJF-ZJSXRUAMSA-N 360.501 5.003 0 1 FKAF CC(C)Nc1nc2ccc(-c3ccnn3-c3cccc(F)c3)cc2s1 29041788 NEWIJCZCYYJYHH-UHFFFAOYSA-N 352.438 5.108 0 1 FKAF CC[C@@H](c1ccc(O)c(C(C)=O)c1)[C@@H](CC)c1ccc(O)c(C(C)=O)c1 40641099 MVIKFXGQAYNGMW-ROUUACIJSA-N 354.446 5.190 0 1 FKAF CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C=C[C@H]1c1ccccc1 52566340 LACDEMZVQFKJDD-IBGZPJMESA-N 353.849 5.295 0 1 FKAF CN(c1ccc(/C=C/C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C 95582422 SXAYPHIBQQHRSK-MDWZMJQESA-N 363.501 5.901 0 1 FKAF CC(C)C[C@@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1CC[C@@H]1C[C@@H]2CC[C@@H]1C2 101218260 SGIBUXSDRUUCRC-OKKOYFSCSA-N 371.613 5.164 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3O)cc(-c3ccccc3O)n2)c1 299834736 ZGEZGPHHASVKTH-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)CC1 586881075 QDPQBFUJJXNLEZ-SHTZXODSSA-N 368.912 6.089 0 1 FKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 586885806 DHZDGHOOVOGOPH-OPAMFIHVSA-N 374.509 5.860 0 1 FKAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(Br)c(C)c3[nH]2)cs1 587020485 AKDAXQGVLOGPBA-UHFFFAOYSA-N 373.279 5.061 0 1 FKAF CCCCCC[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358493 YRKFSCZQNAGTTI-GMAHTHKFSA-N 370.464 6.009 0 1 FKAF CCCCCCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587440928 IOHCMMUZBXDVMJ-XXBNENTESA-N 366.457 5.143 0 1 FKAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCCCc3ccccc31)CC2=O 587476785 BICOWTNYBUUOPX-JTSKRJEESA-N 350.458 5.189 0 1 FKAF O=C1C[C@H](c2ccn(-c3ccccc3F)c2)Oc2c1ccc1c2CCCC1 587503014 KGIYADGYIJQPHR-JOCHJYFZSA-N 361.416 5.202 0 1 FKAF O=C1C[C@@H](c2ccc(F)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587504031 DTBVDHLNIYQXOM-SFHVURJKSA-N 364.338 5.430 0 1 FKAF C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587524486 NSOYAABHSHGHLP-SANMLTNESA-N 368.476 6.113 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(CC(=O)OC)c2c1 587641145 KPTYOFUGNNUOCU-ZDUSSCGKSA-N 355.865 5.717 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc(Cl)c(C)c4[nH]3)c2)cc1O 587787903 ZIMCSBDKIZZCSK-UHFFFAOYSA-N 364.832 5.573 0 1 FKAF CC[C@@H]1CC[C@H](C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824068 TWFSNDHCFBRHRN-NXKACYDGSA-N 354.307 5.164 0 1 FKAF CC1=C([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CC=C1 587824177 VBGOJQSJMPBMNR-KZULUSFZSA-N 364.302 5.466 0 1 FKAF CC[C@]1(Cc2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587853728 RETAESSJKUZMOL-APPDUMDISA-N 368.315 5.032 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(Cl)c1 587861531 SKDRGBBRKVQTLG-UHFFFAOYSA-N 352.743 5.220 0 1 FKAF COc1cccc([C@@H](C)Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587930122 HCHOEEFRKDQHQU-KRWDZBQOSA-N 372.468 5.497 0 1 FKAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(C)c(Br)cc2[nH]1 587931356 SDWKKRGSGGKUJH-YJYMSZOUSA-N 371.278 5.088 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)cc1 587934969 JPOBXCIQQYTIIQ-UHFFFAOYSA-N 350.421 6.059 0 1 FKAF Cc1cc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2cc1Br 587964930 JTURTJMAEZCXNN-UHFFFAOYSA-N 357.295 5.473 0 1 FKAF COc1ccc2c(c1)[C@](CC1CC1)(c1ccc(Cl)cc1)N[C@@H]1CC[C@H]21 962997687 SANUINUROFFKFS-FCEUIQTBSA-N 353.893 5.242 0 1 FKAF Cc1ccc([C@@]2(c3ccc(C)cn3)c3ccc(F)cc3C[C@H]3CCCN32)cc1 963092881 AUMXVXNURORWJC-RDGATRHJSA-N 372.487 5.150 0 1 FKAF CCN(CC)C(=O)Oc1ccc2cccnc2c1-c1cccc2ccccc12 1857582313 YRQVGPJFZGBCAP-UHFFFAOYSA-N 370.452 5.896 0 1 FKAF Cc1ccccc1-c1nc(NC(C)C)nc2cc(-c3ccccc3)sc12 61926105 LUEIHROZUFXMTI-UHFFFAOYSA-N 359.498 6.154 0 3 FKAF Clc1ccc(-c2cc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 2004820 XUJSRSRKGLTVPA-UHFFFAOYSA-N 365.263 6.718 0 1 FKAF O=C(O)CCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1 13448470 GLLJAQLYJDBGCC-UHFFFAOYSA-N 362.473 5.642 0 1 FKAF CN1Cc2ccccc2[C@@H](c2ccccc2)N=C1CCCc1ccccc1 13600217 NJDHGGUHDXWUQS-RUZDIDTESA-N 354.497 5.643 0 1 FKAF O[C@@H]1CCCc2nc3cc(C(F)(F)F)ccc3c(NCc3ccccc3)c21 14946529 XDFZZQNTAWSQRW-GOSISDBHSA-N 372.390 5.235 0 1 FKAF CCCCCc1ccc(-c2nnc(-c3ccccc3C(F)(F)F)n2C)cc1 29043260 QPXIWXDWBDJNOR-UHFFFAOYSA-N 373.422 5.901 0 1 FKAF CCN(c1cccc2ccccc12)[C@H]1CCCc2nc(Cl)cc(OC)c21 29052929 PFWXTNUVYDWTEH-IBGZPJMESA-N 366.892 5.801 0 1 FKAF Cc1[nH]c2ccc(Cl)cc2c1C1CCN(CC2CCCCCCC2)CC1 36221521 SQLQPFWDGFNBPE-UHFFFAOYSA-N 372.984 6.670 0 1 FKAF CC[C@@H]1[C@@H]2[C@H]3Cc4ccc(O)cc4[C@]2(CC[C@H]1C)CCN3CC1CCC1 40701179 LOXDVVJBFLMGGL-SBWAFVPDSA-N 353.550 5.133 0 1 FKAF Clc1ccccc1-c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1 40952711 GDPVFIUSHDFIKE-HSZRJFAPSA-N 363.888 5.581 0 1 FKAF Cc1cc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)ccc1Cl 72109858 BEOHGEYECJBQPN-QFIPXVFZSA-N 357.925 5.977 0 1 FKAF CCCCOc1cc(NC(=O)N2CCC[C@@H]2c2ccccc2)ccc1OC 95560374 IZLVKYNEGPGURX-LJQANCHMSA-N 368.477 5.243 0 1 FKAF O=C1c2ccc(Nc3ccc(F)cc3Cl)cc2CCc2ccc(O)cc21 95580510 QAHWKXPZHLMREU-UHFFFAOYSA-N 367.807 5.258 0 1 FKAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3[nH]nc(-c4ccccc4)c32)cc1 103535978 MVYVVUYJMWJEKW-LJQANCHMSA-N 371.440 5.299 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/[Si](C)(C)C 195469775 FZQCYVJJIFPIPP-IXUKSRSLSA-N 370.609 5.413 0 1 FKAF C[C@H](CCCO)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 261070979 ACKIMFUPMAASSZ-HCCPENSCSA-N 362.598 5.415 0 1 FKAF C/C(=C\c1c(C)c(O)cc2c1[nH]c1c(O)ccc(C=O)c12)CCC(C)C 299838142 LMGVNLIDLJZFGW-UKTHLTGXSA-N 351.446 5.693 0 1 FKAF COc1ccccc1-c1cc2c(N[C@H](C)c3cccs3)ncnc2s1 299867508 YDVIAGSHBLLFHC-GFCCVEGCSA-N 367.499 5.602 0 1 FKAF COc1cc(/C=C/c2ccc(Cl)cc2)c(C(=O)O)c(O)c1CC=C(C)C 473086091 GVTAWVYBBHISNM-VMPITWQZSA-N 372.848 5.432 0 1 FKAF CCCOc1cc2nc(-c3ccoc3C3CC3)[nH]c2cc1Br 586900911 GNFKLLKMIVGJQT-UHFFFAOYSA-N 361.239 5.252 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc3c(c2[nH]1)CCCC3 587010825 DDZQTMZCEUURKO-UHFFFAOYSA-N 359.498 5.464 0 1 FKAF FC(F)(F)c1cccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 587020856 BWXDDTWGSJTNIX-UHFFFAOYSA-N 359.376 5.296 0 1 FKAF Clc1cnc2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1Cl 587023132 FPUPWJRJIUTMQF-UHFFFAOYSA-N 353.259 5.117 0 1 FKAF FC(F)(F)c1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2cc1Cl 587044044 XXZMRDGVUSFUAT-AWEZNQCLSA-N 354.784 5.625 0 1 FKAF Fc1cnc(Cl)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc12 587051928 VIDXWOFJFCTZQF-NKWVEPMBSA-N 356.615 5.328 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cccc(Br)c2[nH]1 587066720 PYCHMCPVFOZEGL-SNVBAGLBSA-N 365.658 5.427 0 1 FKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(Cl)nc4[nH]3)c2)cc1 587068104 YSWOBPGVJMCBKS-UHFFFAOYSA-N 370.239 5.091 0 1 FKAF Clc1ccc(-c2cnccc2-c2nc3cc4ccccc4cc3[nH]2)cc1 587077205 UEIYUUBYRNDFKY-UHFFFAOYSA-N 355.828 6.099 0 1 FKAF Clc1ccc(C2=C[C@@H](c3nc4cc(Cl)cc(Cl)c4[nH]3)ON2)cc1 587077589 XKFDBUSEUPMWAD-AWEZNQCLSA-N 366.635 5.140 0 1 FKAF Fc1cc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1-c1ccccc1 587145961 XFUWFRRBJQLYLZ-UHFFFAOYSA-N 371.242 6.267 0 1 FKAF Fc1ccc2[nH]c(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c(Cl)c2c1 587173936 AWRYJOAWGQFAHP-UHFFFAOYSA-N 371.696 5.662 0 1 FKAF Cc1ccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2c1C 587197628 LCIMCOCEKMHFAM-FQEVSTJZSA-N 365.477 5.145 0 1 FKAF CC/C=C\CCCCCc1cnc2cccc3c2c1-c1ccccc1C3=O 587206640 FWFMPTBNNJDPOI-ARJAWSKDSA-N 355.481 6.515 0 1 FKAF CC(C)(C)c1cc(-c2cc3c4c(cccc4n2)CC3)cc(C(C)(C)C)c1O 587215149 BXWWJISHBIZKCG-UHFFFAOYSA-N 359.513 6.301 0 1 FKAF Cc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1Cl 587232389 SLNGLNMUGMPUJH-UHFFFAOYSA-N 351.837 5.075 0 1 FKAF CCC[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587367482 SFFMFRNGXLYVIW-MRXNPFEDSA-N 371.480 6.562 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1cccc4c1sc1ccccc14)[C@@H](C2)C3=O 587450084 DGNHYAUDORMZSU-JTSKRJEESA-N 372.445 5.552 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(SC4CCCCC4)o1)[C@@H](C2)C3=O 587451044 IQBNMXLZMZSRNZ-YCRPNKLZSA-N 370.470 5.202 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3ccsc13)CC2=O 587496734 TULIPHYXBZWBGM-NRFANRHFSA-N 352.455 5.440 0 1 FKAF Cc1cc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-n2cccn2)c1 587517842 WCMLKDKHHNLMFD-QFIPXVFZSA-N 372.468 5.074 0 1 FKAF Cc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3ccc(F)c(Cl)c23)cc1 587628821 QXCFMBGDEITCGT-UHFFFAOYSA-N 370.254 7.256 0 1 FKAF O=C(c1c(-c2ccc(F)cc2)[nH]c2cc(Cl)c(F)cc12)C(F)(F)F 587630282 XQVHACOMMVFZPH-UHFFFAOYSA-N 359.681 5.512 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2c1 587641885 KPHUHRKAGXWDGF-GFCCVEGCSA-N 374.406 6.261 0 1 FKAF CC[C@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814620 UZZPRIVUWADWHV-BFUOFWGJSA-N 362.286 5.084 0 1 FKAF CC(C)CC[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587815708 OZAXONWTFLEPAC-KZULUSFZSA-N 354.307 5.164 0 1 FKAF CC1=CC[C@H](C[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587817926 FOKRPMIZMMLKPW-WPKBUWHJSA-N 366.318 5.546 0 1 FKAF COc1cccc([C@H](C)Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587930985 LJBYCNVJBSXCEJ-LLVKDONJSA-N 366.408 5.530 0 1 FKAF Cc1cc2[nH]c([C@@H](O)CC(C)(C)C)c(-c3ccccc3)c2cc1C(=O)O 1772584214 YYLLXGRWARESIP-SFHVURJKSA-N 351.446 5.311 0 1 FKAF Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccc(F)cc2)ccc1N 1857591667 QXRSKXLQPUZRLD-UHFFFAOYSA-N 354.812 5.289 0 1 FKAF CC[C@@H](c1ccc(Cl)cc1)N1CCC(n2c(O)nc3ccccc32)CC1 1857754811 VQNHHZBHKDMASW-IBGZPJMESA-N 369.896 5.184 0 1 FKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@]3(OC)CC[C@@]21C)C(C)C 2356397517 OHBIKPTYAYDBKX-KYPQIDAOSA-N 362.554 5.737 0 1 FKAF CCCCC[C@@H]1O[C@H](CCCCCCCCCCC(=O)OC)[C@H](C)[C@@H]1C 2356428399 KIBWZJMHKVHAES-LNRXMEIDSA-N 368.602 6.680 0 1 FKAF Cc1ccc2nc(C3CCCCC3)c(Cc3ccccc3C(F)(F)F)n2c1 72140749 LASZMKAXTIXODW-UHFFFAOYSA-N 372.434 6.300 0 3 FKAF CC(C)Oc1ccc(Nc2cc3[nH]c(-c4cccc(F)c4)cc3cn2)cc1 74372953 VCWHBMUSVOXJQX-UHFFFAOYSA-N 361.420 5.900 0 3 FKAF C=CC[C@]1(C#N)C(=S)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccccc1 783185 WFWLVRWYFJLEGN-GHTZIAJQSA-N 350.487 5.270 0 1 FKAF c1ccc(-c2ccccc2Nc2nnc(SCC3CCCCC3)[nH]2)cc1 1550757 NAUIOAAAANZLAH-UHFFFAOYSA-N 364.518 5.888 0 1 FKAF Oc1ccc2ccccc2c1-c1c(Nc2ccccc2)ccc2ccccc12 1860727 JFWFADDJQPNTMY-UHFFFAOYSA-N 361.444 7.109 0 1 FKAF O=[S@](Cc1[nH]c2ccccc2c1Sc1ccccc1)c1ccccc1 6581729 WEJMICDBYIOXOH-VWLOTQADSA-N 363.507 5.627 0 1 FKAF CC1(C)OC(=S)Nc2ccc(-c3cc(F)cc(C(F)(F)F)c3)cc21 13488853 KWEKPTTVUMVEHM-UHFFFAOYSA-N 355.356 5.474 0 1 FKAF O[C@@H](CC1CCN(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 13729972 CPZOJVSRXNVCFS-FQEVSTJZSA-N 363.423 5.041 0 1 FKAF C[C@@H](c1ccccc1)n1c2ccccc2c2c(N)nc(-c3ccccc3)nc21 13756616 VBCKEAQWAHLODG-INIZCTEOSA-N 364.452 5.443 0 1 FKAF CCCCCc1cc2c(c(O)c1C(=O)OC)[C@H]1C=C(C)CC[C@H]1C(C)(C)O2 14722848 PZGQMCZVNQZFFP-DLBZAZTESA-N 372.505 5.522 0 1 FKAF biogenic COc1ccc(CCCc2ccc(SCCCCCC(=O)O)cc2)cc1 26948605 QTAFBJDISJFAFP-UHFFFAOYSA-N 372.530 5.608 0 1 FKAF Cc1ccc(Oc2ccc(C3CCCCC3)cc2Cl)c(CC(=O)O)c1 28766912 KNJMHFSGGBDWKM-UHFFFAOYSA-N 358.865 6.116 0 1 FKAF Cc1[nH]c2cc(NC(=O)N(C)c3ccccc3)ccc2c1-c1ccncc1 36338551 OSWKKNRDEUPZPK-UHFFFAOYSA-N 356.429 5.207 0 1 FKAF CC(C)CNc1nc(CCc2ccccc2)cc(CCc2ccccc2)n1 40429613 RWLTXMADNVDBBW-UHFFFAOYSA-N 359.517 5.115 0 1 FKAF CNc1ccc(/C=C/c2ccc(OCCCCCCCCF)cc2)cc1 45244977 LZGBYOJNDHEIIK-CMDGGOBGSA-N 355.497 6.588 0 1 FKAF CCCCOc1ccccc1-c1cc(-c2ccccc2)sc1C(=O)O 58494108 SSFISIVJEKEAAG-UHFFFAOYSA-N 352.455 5.959 0 1 FKAF Clc1ccc2c(NCCNCc3ccc4ccccc4c3)ccnc2c1 64453942 MWLKKSMXZYIZEO-UHFFFAOYSA-N 361.876 5.243 0 1 FKAF O=C(O)COc1ccc(C(F)(F)F)cc1-c1ccccc1-c1ccccc1 71332014 UVPKNLYZFYMWGO-UHFFFAOYSA-N 372.342 5.503 0 1 FKAF COc1ccccc1CNc1cc(-c2cccc(-c3ccccc3)c2)ncn1 82160881 AFXHWBLLXSPJKG-UHFFFAOYSA-N 367.452 5.431 0 1 FKAF CCOc1cc(-c2c(C)noc2C)cc([C@@H](O)c2ccc(Cl)cc2)c1 95586481 XTVVTHPHTBWLMF-FQEVSTJZSA-N 357.837 5.092 0 1 FKAF Cc1cc(OCCCc2c(C(=O)O)[nH]c3ccccc23)cc(C)c1Cl 95594146 FQKXEZIKGBCCDX-UHFFFAOYSA-N 357.837 5.148 0 1 FKAF COc1ccccc1-c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144733684 JSSFHVAQAUCJSQ-HXUWFJFHSA-N 356.343 5.141 0 1 FKAF CC(C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 257512290 PISAKMAGVQHRRZ-FZUVAPGZSA-N 370.621 6.775 0 1 FKAF endogenous,in-man Cc1cccc(C)c1[C@@H]1CC(O)=C(Sc2ccccc2Cl)C(=O)O1 299823432 DQVFBDGSVMHVRZ-HNNXBMFYSA-N 360.862 5.507 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(Cl)cc2[nH]1 587013946 DHPRWMSQCYCYSF-UHFFFAOYSA-N 360.269 5.969 0 1 FKAF COc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1O 587098978 WLJMEPFSZGEROV-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF CC(C)=CCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353509 LDFACUAZDONTJA-UNMCSNQZSA-N 354.421 5.395 0 1 FKAF CC[C@H](C)[C@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587365167 FIZTYSJYEYBTRJ-DOTOQJQBSA-N 371.480 6.418 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccc(O)c(C)c3)cc1)O2 587402671 BEEHDEOUQKYAJX-XMMPIXPASA-N 373.452 5.139 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1csc3ccc(Cl)cc13)CC2=O 587493880 HCCVETKXGFQKSI-GOSISDBHSA-N 372.873 5.919 0 1 FKAF C[C@]1(c2cc(F)c(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506840 PXSVJXORMIAGNY-HXUWFJFHSA-N 362.803 5.378 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CC2CCCCCC2)N1 587818201 GPUWGCPZRHANHV-SGTLLEGYSA-N 354.307 5.524 0 1 FKAF CC[C@@H](OC(=O)c1ccccc1)c1nc(-c2cccc(Cl)c2)cs1 587920345 ICVADQAJDTURHE-QGZVFWFLSA-N 357.862 5.772 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(Cc1ccccc1)c1ccccn1 963232425 SIAMLNSSRFUSDO-CPJSRVTESA-N 356.513 5.225 0 1 FKAF CCc1ccccc1-c1cccc2sc(CNCCCCC(=O)O)cc12 1772616590 YXAAIEGNYITBQQ-UHFFFAOYSA-N 367.514 5.475 0 1 FKAF CCCOc1cccc(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)c1 1772624734 YVIAOFRDMYQIBB-LJQANCHMSA-N 367.470 5.206 0 1 FKAF FC1(F)CCN(Cc2cccc3cc[nH]c23)C[C@H]1CCc1ccccc1 1772636187 YFIHOXPEZFETCV-HXUWFJFHSA-N 354.444 5.258 0 1 FKAF Cc1ccc(-c2c(O)ccc3c2CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)cc1 1772647864 YQSKWVLBXVSLDA-KNPBPUNLSA-N 360.497 5.793 0 1 FKAF CCOc1cccc(-c2cn3c(-c4ccc5ncccc5c4)cnc3cn2)c1 1857598193 UUKBEQDSDPAHBD-UHFFFAOYSA-N 366.424 5.010 0 1 FKAF Cc1nc(N(C)c2ccc3c(c2)c2ccccc2n3C)c2ccccc2n1 1857617208 XNXRBSIGAJPDMZ-UHFFFAOYSA-N 352.441 5.351 0 1 FKAF CC(=O)c1c(O)cc(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c1O 2356610522 NUSMNXVXTBPRRY-UHFFFAOYSA-N 372.505 5.968 0 1 FKAF Cc1ccc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)cs2)nc1 13141320 RCJAJSZMQNUKGW-UHFFFAOYSA-N 351.353 5.156 0 1 FKAF CN1[C@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccc(C(C)(C)C)cc1)C2 13743600 IGNVGOLMZFBAMQ-UZLDWMDBSA-N 363.545 5.715 0 1 FKAF CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)CC[C@@H]3c1ccccc1 26280437 MWMIYAJDAPUMAJ-HOYKHHGWSA-N 361.485 5.779 0 1 FKAF COc1ccc(-n2cc(-c3ccccc3)c3c(=O)oc4ccccc4c32)cc1 26648997 GAHULDWRTHIQSW-UHFFFAOYSA-N 367.404 5.413 0 1 FKAF Cc1ccc2ccc(-c3nnc(-c4ccccc4C(F)(F)F)n3C)cc2c1 29042895 JLMJCFIWLFXNCR-UHFFFAOYSA-N 367.374 5.630 0 1 FKAF CCc1ccc([C@H](Nc2cc(F)c(F)c(F)c2)[C@H]2CCCCC2=O)cc1 66262510 GDZPAIJJZDKKON-KKSFZXQISA-N 361.407 5.579 0 1 FKAF COc1cccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)c1 72109093 QSKNBTZVHISSAC-UHFFFAOYSA-N 356.443 5.117 0 1 FKAF C[C@@H](CCc1ccccc1)Nc1cc(Oc2cccc3cccnc23)ncn1 82067663 WQOCLMBGFBHFKI-KRWDZBQOSA-N 370.456 5.250 0 1 FKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4)cc3F)c12 95583414 LLRBJGIWBASCTG-UHFFFAOYSA-N 374.419 5.177 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cccc(C(F)(F)F)c2[nH]1 586879961 VNSYEJZJAUAETR-UHFFFAOYSA-N 352.359 6.224 0 1 FKAF c1ccc(COc2cccc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c23)cc1 586892909 YBOOFCHYLHTJSD-NLFFAJNJSA-N 366.464 5.513 0 1 FKAF Cc1c(-c2ccccc2Cl)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586994380 ZOKJYWSQORZXJV-UHFFFAOYSA-N 369.851 6.383 0 1 FKAF Cc1cc(Cl)cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587005993 DFZWAQCWLIQEPR-UHFFFAOYSA-N 360.642 5.207 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncc(F)cc4[nH]3)c21 587030883 MBPSSVMVZSRRPH-NSHDSACASA-N 352.438 5.056 0 1 FKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cnc4ccccc4c3[nH]2)c1 587049168 PSSPWQDBEAGXRH-UHFFFAOYSA-N 364.836 5.026 0 1 FKAF Fc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1F 587062172 DHOFBTDDPKOINL-UHFFFAOYSA-N 354.787 5.752 0 1 FKAF Cc1nc2c(C)ccc3c2c(c1Cc1ccc(O)cc1)-c1ccccc1C3=O 587101908 RGQXLEMOTZNRAV-UHFFFAOYSA-N 365.432 5.359 0 1 FKAF O=C1c2ccccc2-c2cc(CCc3ccccc3F)nc3cccc1c23 587104038 QBQJVVRVHDIGCV-UHFFFAOYSA-N 353.396 5.371 0 1 FKAF Fc1ccc(/C=C/c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(F)c1 587149096 LSEMPMFEONGVLD-DUXPYHPUSA-N 374.696 5.564 0 1 FKAF Fc1ccc(/C=C(/c2nc3cc4cn[nH]c4cc3[nH]2)c2cccs2)cc1 587163082 GJNDNDRQKXYQKB-OVCLIPMQSA-N 360.417 5.229 0 1 FKAF CC(C)(C)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354871 RWEFWBPFANEGTE-AGGMIZPZSA-N 354.421 5.085 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(Cl)c1Cl)CC2=O 587467356 TYHIHBJDGZMQFX-OAHLLOKOSA-N 369.219 5.497 0 1 FKAF O=C1C[C@@](c2ccccc2)(c2ccccc2O)Oc2c1ccc1c2CCCC1 587531912 IWWZUMQCWLSLAS-RUZDIDTESA-N 370.448 5.180 0 1 FKAF O=C1C[C@@H](c2cccnc2-c2ccsc2)Oc2c1ccc1c2CCCC1 587535349 KJDSSPAYIFVWSC-FQEVSTJZSA-N 361.466 5.395 0 1 FKAF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccc(F)cc2)cc1 587630621 MWQGWTNKTTYFGE-UHFFFAOYSA-N 357.762 6.573 0 1 FKAF CC(C)(C)c1[nH]c2cc(F)ccc2c1Cc1ccccc1Br 587633179 ZVBIISVZODGBGV-UHFFFAOYSA-N 360.270 5.958 0 1 FKAF Cc1c(-c2ccc(Br)cc2C(F)(F)F)[nH]c2cc(F)ccc12 587633917 OOYFBWICWJXONV-UHFFFAOYSA-N 372.159 6.064 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)Nc3ccccc3)c2c1 587640713 IRMCNHDIZRFSDR-LBPRGKRZSA-N 360.379 5.953 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CCCC[C@@H]3C2)N1 587818043 PBTJUWXDCMOKDP-FCIKYMEBSA-N 366.318 5.308 0 1 FKAF C[C@H](C[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)CC(C)(C)C 587818546 IMSDJIYLPAKCPB-BWACUDIHSA-N 356.323 5.626 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCCCCCCC2)N1 587819671 WJBBFJHDDDPKTR-ZDUSSCGKSA-N 354.307 5.452 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C)c(C)c1 587859803 JDXBRDSVPACEDD-UHFFFAOYSA-N 361.272 5.862 0 1 FKAF Clc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1Cl 587958849 KSOYUGXJGNXERW-UHFFFAOYSA-N 353.252 6.128 0 1 FKAF NC(=O)c1cc(Cl)cc2c1Nc1ccc(Cl)cc1C21CCCCC1 621486017 ZICINMKPAGBIIH-UHFFFAOYSA-N 361.272 5.400 0 1 FKAF COc1cccc([C@H]2Oc3cc(OC)ccc3[C@H]2c2ccc(F)c(F)c2)c1 1857749795 YDPAEXNXOLTAEC-FGZHOGPDSA-N 368.379 5.248 0 1 FKAF CCCCC/C=C\[C@H](C)/C=C\C/C=C/C/C=C\CCCC(=O)NC1CC1 1857758912 QWOSQZCKUTULAW-PMGUHBDASA-N 357.582 6.657 0 1 FKAF C[C@@H]1CC=C[C@](C)([C@@H]2CCC[C@H](Cc3cc(O)cc(CCCO)c3)C2)C1 2356469211 DVJZTXYZOKNCCM-FSNSLZAISA-N 356.550 5.658 0 1 FKAF CC[C@@H]1Oc2c(-c3ccc(O)cc3)cnc(O)c2[C@@H]2[C@H](C)C[C@H](C)C[C@@]12C 2356734252 ZUJBUMRATOLVJT-OQWZIBDDSA-N 367.489 5.487 0 1 FKAF COc1c2ccoc2c(OC/C=C(\C)CCC=C(C)C)c2oc(=O)ccc12 5158590 CTPXXQMJFXTTQZ-XNTDXEJSSA-N 368.429 5.619 0 1 FKAF biogenic,in-vitro CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 11616276 RSEPBGGWRJCQGY-DXGJXXFVSA-N 356.506 5.350 0 1 FKAF CCC1(CC)N[C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21 13863920 DXRCEZLHQFJEED-HXUWFJFHSA-N 370.500 5.460 0 1 FKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc([C@@H](C)[C@@H](C)C3CCCC3)cc1OC2(C)C 26674066 USDMFBBEDJJVQK-HRQSHJORSA-N 368.561 6.933 0 1 FKAF CCCCCCc1ccccc1C[C@H](Oc1ccc(Cl)cc1)C(=O)O 40897305 BUHAJXUQBFAUIZ-FQEVSTJZSA-N 360.881 5.538 0 1 FKAF CC(C)Oc1ccc(-c2nc(CN[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)co2)cc1 72181561 QUKYDYWBOBWGLN-ZHFAOOELSA-N 368.521 5.289 0 1 FKAF Cc1cccc(CNc2cc(-c3cccc(-c4ccccc4)c3)ncn2)c1 82160895 DNOCOKNQNJIXMG-UHFFFAOYSA-N 351.453 5.731 0 1 FKAF Cc1ccc(NC(=O)Nc2ccc(C)c(NC(=O)c3ccccc3)c2)cc1C 95560726 BLZMIUWBDQHFPX-UHFFFAOYSA-N 373.456 5.508 0 1 FKAF CCCCn1cc(C(=O)c2cccc3ccccc23)c2cc(OC)ccc21 96906000 XKMGCVOCXYAUIR-UHFFFAOYSA-N 357.453 5.834 0 1 FKAF c1ccc(C2=Nc3ccccc3[C@@H]2C2CCN(c3ccccc3)CC2)cc1 101640655 SKANGXDRVLBYBV-DEOSSOPVSA-N 352.481 5.821 0 1 FKAF Cc1cccc(-c2ccccc2)c1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 586880101 YMFFCHXIGZWUDO-UHFFFAOYSA-N 354.787 6.137 0 1 FKAF Cc1ccccc1[C@@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991343 UBXMQDLXLYHQPJ-KRWDZBQOSA-N 363.416 5.148 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc(C4CC4)c3F)nc3cccc1c23 587103627 LZFMCXLLVDXILX-UHFFFAOYSA-N 365.407 6.130 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587113276 VDRHUGPWEGQBOR-UHFFFAOYSA-N 369.390 6.094 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cccc2c1[C@@H]3CCC2 587208681 XUJWWXHCXLYQGY-KRWDZBQOSA-N 359.428 5.895 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCCCCCCCCC3 587208697 YAGKVUNSBRKIES-UHFFFAOYSA-N 369.508 6.666 0 1 FKAF CC[C@]1(c2ccc(F)cc2C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 587381218 HSCFEPSYSZLZKU-GOSISDBHSA-N 367.342 5.006 0 1 FKAF CCCOc1ccc(Cl)cc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587458806 ADOLNERMBOWSCI-HXUWFJFHSA-N 374.864 5.493 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(O)cc(C)c(Cl)c1C)CC2=O 587460605 NTWWCYDMQGYEGT-KRWDZBQOSA-N 360.837 5.027 0 1 FKAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCC[C@@H](C(F)(F)F)C1)CC2=O 587463994 FVERMHOCPMCTMK-QFSBIZTOSA-N 356.384 5.047 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccccc3)s1)CC2=O 587493278 CZHFBTSYSASHHI-SFHVURJKSA-N 365.454 5.175 0 1 FKAF C[C@@]1(c2cc3c(s2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587535156 IPZCIWNMTQJPRZ-QFIPXVFZSA-N 352.499 5.386 0 1 FKAF O=C(Nc1ccccc1)c1c(-c2ccccc2)[nH]c2ccc(F)c(Cl)c12 587631604 QHXHMWPKGMLYSN-UHFFFAOYSA-N 364.807 5.880 0 1 FKAF CC(C)(C)OC(=O)Nc1c(C2CCOCC2)[nH]c2ccc(F)c(Cl)c12 587631835 WSJNFIREEIMZAH-UHFFFAOYSA-N 368.836 5.201 0 1 FKAF O=C(c1ccc(OC(F)F)cc1)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 587634035 UBCPNFCJMQXUEM-UHFFFAOYSA-N 373.252 5.158 0 1 FKAF Cc1cccc(C2CC3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 587816702 BTYKDEKFWPZORW-CZTOGXCSSA-N 374.297 5.204 0 1 FKAF CC[C@H](C)[C@@H]1CC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587820352 ZWIPDMYWUCHFGV-LFPKGMGHSA-N 354.307 5.164 0 1 FKAF CC[C@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356484479 WIVPAKVRSDHFJL-XFAMWPGFSA-N 360.538 5.166 0 1 FKAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356585638 WWWDIYZWGZOIBA-CVGDDBFFSA-N 371.565 5.001 0 1 FKAF CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCCCCC 2356797416 NXBMFRGWYUJDHD-UHFFFAOYSA-N 366.633 9.211 0 1 FKAF C[C@@H]1[C@H]2CCCC[C@H]2CN(C(=O)OC(C)(C)C)[C@@H]1CC(=O)c1ccccc1 61959004 OKOKNRRZUNJYJG-GSEOLPGOSA-N 371.521 5.321 0 3 FKAF Cc1csc(-c2nc3ccccc3n2[C@H](C)c2nc3ccccc3[nH]2)c1 95566686 VJDYFAGVYPBENP-CQSZACIVSA-N 358.470 5.559 0 3 FKAF CCN(CC)CCC[C@H](C)Nc1cc(-c2ccccc2)nc2ccccc12 1687501 JHXAMHYEYLEFAG-IBGZPJMESA-N 361.533 5.824 0 1 FKAF C[C@@]12C=C(/C=C/CCc3ccco3)[C@@](C)(C1)[C@H](CCc1ccco1)CC2=O 7992417 HSYVZZKTEPXIFY-VZHOBLSTSA-N 364.485 5.926 0 1 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](Cc1ccccc1)Oc1ccccc1-3 13781697 DVHGADYDUXNLKV-HSZRJFAPSA-N 367.492 6.637 0 1 FKAF C[C@]12CCC(=O)C[C@H]1CC[C@@H]1C3=CC[C@H](c4ccc(=O)oc4)[C@@]3(C)CC[C@@H]12 27633827 VKYZAIOQMTVXEU-PZALPBMUSA-N 366.501 5.255 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CCC4=C(SCF)C(=O)CC[C@@]43C)[C@H]1CCC2=O 36289297 NJRKOHLHHUDPLF-FZIGSOAOSA-N 350.499 5.075 0 1 FKAF CC(C)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cc1 73165551 FYAJGCMQMPPNTF-UHFFFAOYSA-N 374.362 5.736 0 1 FKAF Clc1cccc(Nc2ccnc3[nH]c4ccc(Br)cc4c23)c1 103297331 HRBOFBDIESILOZ-UHFFFAOYSA-N 372.653 5.876 0 1 FKAF CCCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1ccco1 103921635 MVJFYEVUBPLBLY-NRFANRHFSA-N 350.418 5.236 0 1 FKAF CSc1cccc(N=c2[nH]c(-c3ccc(C(F)(F)F)cc3)cs2)c1 473083621 OTXSPPRMHXHKBQ-UHFFFAOYSA-N 366.433 5.716 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC1(CCCCC1)C3 586991440 UXLPMEMBSHVDRE-UHFFFAOYSA-N 369.464 5.591 0 1 FKAF CCn1ncc(Cl)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586994392 ZWSLQOOJNFRKHK-UHFFFAOYSA-N 373.843 5.291 0 1 FKAF CC(C)(C)c1cccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587006530 FPJXVFXIYHWTIT-UHFFFAOYSA-N 369.266 5.166 0 1 FKAF Nc1ccnc2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc12 587048886 ZYBHIKBZYOFIDP-UHFFFAOYSA-N 355.228 5.181 0 1 FKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4c(Cl)cncc4[nH]3)o2)c1 587050412 JYUBRVUJVHNKJX-UHFFFAOYSA-N 364.619 5.845 0 1 FKAF Cc1coc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358262 WFZXNSPKXXSVJD-UNMCSNQZSA-N 366.388 5.015 0 1 FKAF CC[C@H]1CC[C@@H](C)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587365934 JRFQAIZYXCILSP-CVEARBPZSA-N 371.480 7.048 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1sc4ccccc4c1Cl)[C@@H](C2)C3=O 587452428 MXEGXFOHPAHZPC-KPZWWZAWSA-N 356.830 5.052 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C)c(Cl)c1Cl)CC2=O 587460018 KQDRQIJAFGUHAP-INIZCTEOSA-N 365.256 5.666 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(C(C)(C)C)c1)CC2=O 587482088 RQVHSAWJFYPZOD-NRFANRHFSA-N 368.473 5.357 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC(C)(C)C)cc1)CC2=O 587482763 JFUDDZHEAWYZRS-HSZRJFAPSA-N 368.473 5.403 0 1 FKAF CCCc1c(O)ccc2c1OC1(CCC(C3CCCCC3)CC1)CC2=O 587484464 SFBULACMEIEVPI-UHFFFAOYSA-N 356.506 5.819 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccccc13)(C1CC1)CC2=O 587487835 XDMWPCICZDEWGM-QHCPKHFHSA-N 361.441 5.097 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(C)(C)C)c1O)CC2=O 587488956 LLDAROJQVAMSOI-LJQANCHMSA-N 354.446 5.054 0 1 FKAF O=C1C[C@@]2(CCCC[C@H]2N2CCCCCC2)Oc2c1ccc1c2CCCC1 587514885 QCAYLUFLIKTHIG-ISKFKSNPSA-N 367.533 5.088 0 1 FKAF CCCCCC[C@H](C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600850 CMQKSMUAOUKOBN-WQFQCULDSA-N 354.446 5.329 0 1 FKAF Cc1c(-c2cc(Br)ccc2O)[nH]c2ccc(F)c(Cl)c12 587628190 JNKPIAMSWKYZMC-UHFFFAOYSA-N 354.606 5.404 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(Cl)cc3OC)c2c1 587641227 LKYLOVYWDGBBCU-LBPRGKRZSA-N 370.880 5.904 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(Cl)cc3)c2c1 587642759 VGLRTDRBDKLOON-GFCCVEGCSA-N 369.848 5.352 0 1 FKAF CCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587810878 DLTKDNQPRNRLDA-BFUOFWGJSA-N 362.286 5.166 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C3CC3)c2)N1 587814908 JCWMVJOFCANAFH-FKIZINRSSA-N 374.297 5.263 0 1 FKAF C/C=C(\c1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817966 FTYQJUYEGUQBHN-WHTUFOJTSA-N 360.270 5.267 0 1 FKAF CC1=CC[C@H](C[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587821996 ZDKVXCUAPQUFNM-JGGQBBKZSA-N 366.318 5.546 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c2)cc1 587934508 BOJYYTULVNHTMO-UHFFFAOYSA-N 357.457 5.598 0 1 FKAF FC1(F)Oc2cc3nc(Cc4cccc(-c5ccccc5)c4)[nH]c3cc2O1 587962163 UBZKMLBXWGJQGX-UHFFFAOYSA-N 364.351 5.142 0 1 FKAF CCSc1cccc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961321393 JKKFECKLHRBWMD-SFHVURJKSA-N 374.347 5.329 0 1 FKAF COc1ccc2c(c1)[C@](C)(CSc1ccc(Cl)cc1)N[C@H]1CC[C@@H]21 962995277 MQRDAEARWAZCBB-IHPCNDPISA-N 359.922 5.205 0 1 FKAF CCc1ccccc1-c1cccc2sc(CNCCCC(=O)O)cc12 1772592431 RKGSRYRHSHQAIK-UHFFFAOYSA-N 353.487 5.085 0 1 FKAF Brc1ccc(Cn2c(CC3CCCC3)nc3ccccc32)cc1 1857599730 RJESFINKABJEPB-UHFFFAOYSA-N 369.306 5.580 0 1 FKAF COc1ccc(NCC2(c3ccnc(-c4ccccc4Cl)c3)CC2)cc1 1857606545 PZJBXKCMTWSRJB-UHFFFAOYSA-N 364.876 5.554 0 1 FKAF CCC(=O)CCCCC[C@H](Oc1ccc2ccccc2c1)c1ncc[nH]1 1911582754 VCLJNQCUZZVUPP-NRFANRHFSA-N 350.462 5.613 0 1 FKAF C[C@@H]1CC[C@@H]2CC[C@@H]3C(=C[C@@]4(C)[C@@H]3[C@H]3C(C)(C)CC[C@@]3(CO)C[C@H]4O)[C@]12C 2356452370 NCEYLDMAYOKQNV-LEZFKYLZSA-N 372.593 5.191 0 1 FKAF CC(C)Oc1ccc(Nc2nccc3c2cc(-c2ccccc2)n3C)cc1 74386985 FKKHPTAYWXMBHX-UHFFFAOYSA-N 357.457 5.771 0 3 FKAF CS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3Cl)CCC2)cc1 3814640 KSFMAASFLCWROX-UHFFFAOYSA-N 367.297 5.492 0 1 FKAF O=C(NCC=C(c1ccccc1)c1ccccc1)c1cnc2ccccc2c1 13451901 WNAVVKGPUNISIK-UHFFFAOYSA-N 364.448 5.097 0 1 FKAF COc1c(CCCCCCCCCCC[C@H](C)O)[nH]c2ccccc2c1=O 14511128 OSAYGIDOEMCDEU-SFHVURJKSA-N 373.537 5.361 0 1 FKAF biogenic CCCCCCOc1ccccc1-c1nnc(NNC2CCCC2)s1 26380202 SQMKHPYFCWHRQE-UHFFFAOYSA-N 360.527 5.023 0 1 FKAF C[C@H](O[C@H]1CCCN[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1 26746217 UQTRGKPOVUCKIC-AGRHKRQWSA-N 350.289 5.564 0 1 FKAF CN1[C@H]2CC[C@@H]1CC(Oc1cccc(C(F)(F)F)c1)(c1ccccc1)C2 28875971 HVXACPWJXGWCGY-UFRUDQCGSA-N 361.407 5.236 0 1 FKAF CCCCSCC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1 29394630 CBOPMPFPBQTJAP-VXKWHMMOSA-N 358.547 6.299 0 1 FKAF Cc1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1C 38224650 NIGDIPSNADAWNH-UHFFFAOYSA-N 368.484 5.978 0 1 FKAF CC(C)c1cc(C(C)C)n(C[C@@H](OC(=O)Nc2ccsc2)C(C)C)n1 40401166 GOPDHXJUOMJCBB-GOSISDBHSA-N 363.527 5.465 0 1 FKAF CN(CCc1ccccc1)Cc1coc(-c2ccc(Cl)cc2Cl)n1 72103441 VUONMAJFSTXPNR-UHFFFAOYSA-N 361.272 5.323 0 1 FKAF CCO[P@@](=O)(Nc1ccc(C)cc1Cl)Oc1ccc(C)cc1Cl 72125228 PZPJVWJTJDMKIC-QHCPKHFHSA-N 374.204 6.246 0 1 FKAF CCN(C)c1ncc(-c2ncc(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 82177019 AACRKJMWBDBJSX-UHFFFAOYSA-N 370.456 5.230 0 1 FKAF c1ccc(CCCNCCSC(c2ccccc2)c2ccccc2)cc1 103246757 RQIJEINZTIJVAW-UHFFFAOYSA-N 361.554 5.732 0 1 FKAF CCCCCCc1cc2cc(Cl)ccc2n1C(=O)C[C@@H](C)CC(=O)O 103270851 LDXKYWAZGKIBOG-CQSZACIVSA-N 363.885 5.559 0 1 FKAF CCCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccco1 103921641 MVJFYEVUBPLBLY-OAQYLSRUSA-N 350.418 5.236 0 1 FKAF CCCCCCCCCCCCCCCCCCNC(=O)[C@@H](N)[C@@H](C)O 143355090 QKQQPSLGYFFXKK-RTWAWAEBSA-N 370.622 5.072 0 1 FKAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)c3ccc(F)cc3)ncc2c1 144326210 FHMBGYHZSQYXCT-UHFFFAOYSA-N 374.390 5.741 0 1 FKAF CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)cc3)cs2)CC1 145680597 USQWFUBNUUBQHB-UHFFFAOYSA-N 362.470 5.064 0 1 FKAF COc1cccc(N(C(=O)c2ccc(-c3cccc(C)c3)s2)C2CC2)c1 169351574 LTYCIIGPQIAAPX-UHFFFAOYSA-N 363.482 5.541 0 1 FKAF Cc1nn(-c2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)c(C)c1Cl 587064512 CESREVSPURPJNC-UHFFFAOYSA-N 373.847 5.234 0 1 FKAF Cc1ccc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)c(C)c1 587100054 ZGNDCGDAOGTJAW-UHFFFAOYSA-N 363.460 6.347 0 1 FKAF Cc1c(-c2ccc(Cl)c(N)c2)nc2cccc3c2c1-c1ccccc1C3=O 587104310 RDIJNPAXVDRHLN-UHFFFAOYSA-N 370.839 5.657 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1[nH]c2ccccc2c1CC3 587105694 DYTNVDZBLAXEAC-UHFFFAOYSA-N 372.427 5.693 0 1 FKAF CCc1ccc(OC)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587107386 RUUBZWRBHOGYIC-UHFFFAOYSA-N 365.432 5.684 0 1 FKAF O=C(c1nc2c(F)cc(Cl)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132597 FDHULAOIGDOBEE-UHFFFAOYSA-N 361.562 5.032 0 1 FKAF Fc1ccc(/C=C(\c2nc3cc4cn[nH]c4cc3[nH]2)c2cccs2)cc1 587163074 GJNDNDRQKXYQKB-NVNXTCNLSA-N 360.417 5.229 0 1 FKAF COc1cccc(-c2cc(-c3nccn3C)nc3c2oc2ccccc23)c1 587362651 ITPMLETWIJTPAE-UHFFFAOYSA-N 355.397 5.057 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC3CCCC3)cc1)CC2=O 587489971 QFGDUXCEWADAAV-JOCHJYFZSA-N 366.457 5.373 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(C(C)(C)C)cc1N)CC2=O 587493793 HYKSNTWSXLDJGF-NRFANRHFSA-N 373.518 5.167 0 1 FKAF COc1c(C)cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587499405 SPEFDHQIGGFWBF-QFIPXVFZSA-N 370.876 5.416 0 1 FKAF CC(C)(C)c1ccc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520925 BHSAAZPXVJQHFF-HXUWFJFHSA-N 362.513 5.830 0 1 FKAF C[C@]1(c2cccc(-c3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522495 IGBYYCOGRPLAQO-AREMUKBSSA-N 368.476 6.113 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3cc(OC)c(Cl)cc3[nH]2)cc1 587565112 WPERCFPPCOIQEB-UHFFFAOYSA-N 358.869 5.492 0 1 FKAF Cc1c(-c2ccccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 587622136 YNXGCHFZLBWTRK-UHFFFAOYSA-N 360.642 5.436 0 1 FKAF CCOC(=O)Cc1[nH]c2ccc([C@H](C)CC)cc2c1-c1cccc(F)c1 587643579 VSPKJKXRVSGMND-CQSZACIVSA-N 353.437 5.593 0 1 FKAF Cc1cccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 587801211 DRSVKEVLGRLPMX-JEOXALJRSA-N 373.269 5.002 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC2CCCC2)N1 587813232 NLJMZVMFVAENOA-KPZWWZAWSA-N 354.307 5.308 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccccc3c2)N1 587824773 YLAARMYGBZYLOK-FKIZINRSSA-N 370.265 5.365 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Cl)cc1 587864442 HNPIMHNETHRMQP-UHFFFAOYSA-N 366.770 5.610 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 587965257 QNXFEXZOVCEBRQ-UHFFFAOYSA-N 366.814 6.075 0 1 FKAF CCc1cc(CC)c([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c(CC)c1 962665061 JWJVSJBNMFKPEW-HHHXNRCGSA-N 369.552 6.276 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2OC)(C(C)(C)C)N1 962946300 LEDPTWUEYKWQFO-FYSMJZIKSA-N 362.517 5.391 0 1 FKAF CCC(C)(C)[C@@]1(c2ccccc2OC)c2c(F)cccc2C[C@@H]2CCCN21 963119078 YZWSCTOQXLVPOM-MHECFPHRSA-N 367.508 5.535 0 1 FKAF CC(C)c1ccc(NC(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)cc1 2382261349 PCRCEFXLDHXCPZ-OAQYLSRUSA-N 352.478 5.023 0 1 FKAF CCCn1c([C@@H](C)Nc2nc(C)cs2)nc2cc(Cl)c(Cl)cc21 15935262 JBOPGHRZHLXDOH-SNVBAGLBSA-N 369.321 5.691 0 3 FKAF CC1(C)CCC(C)(C)c2cc(C(C)(C)c3ccc(C(=O)O)cc3)ccc21 13743075 ZCZMPOGOLHRKMD-UHFFFAOYSA-N 350.502 6.060 0 1 FKAF COc1cc(OC)c2c(c1CC=C(C)C)O[C@](OC)(c1ccccc1)CC2 14721589 FNZKAXPXZXWCFJ-QHCPKHFHSA-N 368.473 5.037 0 1 FKAF biogenic CCCCCCC1=C(c2ccccc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1 14978552 ZYOSSUMBVGPRRB-BVAGGSTKSA-N 359.557 7.465 0 1 FKAF CC1=CC[C@@H]2[C@H](C1)c1c(O)cc([C@H](C)[C@H](C)C3CCCC3)cc1OC2(C)C 26719500 USDMFBBEDJJVQK-KJNZLNQQSA-N 368.561 6.933 0 1 FKAF Oc1cccc(Nc2c(Cl)cnc3cc(-c4cncs4)ccc23)c1 28823949 WRJDUUVOTWLITM-UHFFFAOYSA-N 353.834 5.461 0 1 FKAF Cc1ccccc1[C@@](O)(CCCN1[C@@H](C)CCC[C@H]1C)c1ccccc1 29551108 CSEFBNLLZLOJNN-ZFGGDYGUSA-N 351.534 5.274 0 1 FKAF CC[C@]1(c2cccc(Br)c2)ON=C(c2ccccc2Cl)O1 40423457 MUOCNOMTTQYUAH-MRXNPFEDSA-N 366.642 5.074 0 1 FKAF CCC(NC(=O)Nc1cc(C)c(C)c(C)c1)(C(F)(F)F)C(F)(F)F 68573290 SMADVFSLNVERKJ-UHFFFAOYSA-N 356.310 5.007 0 1 FKAF biogenic O=C(Nc1cc(Cl)ccc1Cl)C(Cl)(C(F)(F)F)C(F)(F)F 68574238 MGPKUQJPKVBQNU-UHFFFAOYSA-N 374.495 5.034 0 1 FKAF biogenic O=C(c1cc2ccccc2o1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 71318351 BLXNZXIHYBBFMU-NRFANRHFSA-N 366.420 5.424 0 1 FKAF Cc1ccc(C[C@]2(/C=C/c3ccccc3)CCc3ccccc3[C@@H]2O)cc1 71342079 GOQBRVPIIFWKRS-UMJAWYJHSA-N 354.493 5.917 0 1 FKAF CCN1CCN(c2cc3c(c(-c4ccc(F)cc4)c2)CCCCCC3)CC1 71789454 CPAVYKKIVKBTGX-UHFFFAOYSA-N 366.524 5.294 0 1 FKAF Cc1ccccc1C(=O)Nc1ccc([C@H]2CC[C@@H](N3CCC[C@@H]3C)C2)cc1 147079537 VNNYIOGBDPHRBQ-RCZSKKKRSA-N 362.517 5.368 0 1 FKAF C=C/C=C/c1c(COCc2ccccc2)cnc(C)c1OCc1ccccc1 169336792 BFZUHIWERIBNPH-SYZQJQIISA-N 371.480 5.885 0 1 FKAF Cc1c(C)c(O)c(/C(=C/CCCCC(=O)O)c2ccc(F)cc2)c(C)c1O 169712296 PNAWNARTQXIDDI-CNHKJKLMSA-N 372.436 5.239 0 1 FKAF O=C(Nc1ncccc1OCc1ccccc1Cl)NC1CCCCCC1 206993007 JKGGFJLWYSMZKF-UHFFFAOYSA-N 373.884 5.158 0 1 FKAF O=C1[C@H](c2ccccc2)[C@H](c2ccccc2)[C@H]2[C@H]3CC[C@@H](C3)[C@@]12N1CCCC1 299849680 RGRHFPAVKJNGTG-CXBWMIOTSA-N 371.524 5.017 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(OC(C)C)cc4[nH]3)c2)cc1 586879624 HPVXKIVPMMLUOG-UHFFFAOYSA-N 370.452 5.887 0 1 FKAF C[C@H]1CCc2sc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)cc2C1 587033769 MKNBVWPNXBACGA-VIFPVBQESA-N 352.381 5.315 0 1 FKAF FC(F)(F)Oc1cc2[nH]c(-c3cc4c(s3)CCC4)nc2cc1Cl 587034338 SMYRQKYBZSKXHS-UHFFFAOYSA-N 358.772 5.332 0 1 FKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(C(C)(C)C)ccc2[nH]1 587065893 CJKKYHXBOOVULD-UHFFFAOYSA-N 363.892 6.280 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068146 ILAXGDDCMJKIGJ-UHFFFAOYSA-N 350.853 5.571 0 1 FKAF Cc1ccc2c3c(cc([C@@H](C)Cc4ccccc4)nc13)-c1ccccc1C2=O 587099645 QJNSORAFYNZJCY-KRWDZBQOSA-N 363.460 6.101 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@@H](C(C)C)C4)-c1ccccc1C2=O 587100358 HNPDPLFDQBTJGL-HNAYVOBHSA-N 355.481 5.762 0 1 FKAF Cc1nc2cccc3c2c(c1Cc1c(F)cccc1F)-c1ccccc1C3=O 587102658 CNWYTBCAYLQZNE-UHFFFAOYSA-N 371.386 5.624 0 1 FKAF CC(C)(C)c1cccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c12 587113116 KDTVGUAWDMMXIL-HNNXBMFYSA-N 361.411 5.122 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4c(Cl)c(Cl)cnc4[nH]3)C2)c1 587131837 VEUMAAVPOMSMNX-UHFFFAOYSA-N 354.187 5.146 0 1 FKAF Cc1cc(Br)c(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1F 587138125 WWMXUDZYAOSEHF-UHFFFAOYSA-N 362.246 5.132 0 1 FKAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Cl)cc(F)c2[nH]1)C1CCCC1 587226835 URPCIQOULGMVLG-CQSZACIVSA-N 367.852 5.111 0 1 FKAF CC[C@@H]1C[C@H](C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349675 COJZHFQBBSCSCT-DXKRGGPESA-N 368.448 5.475 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc4oc5ccccc5c4c1)[C@@H](C2)C3=O 587452100 DEJNNPYQNNQPFK-SBUREZEXSA-N 356.377 5.083 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)ccc1OCC)CC2=O 587460923 HUEVHCARHGCHJZ-NRFANRHFSA-N 374.864 5.277 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(Cl)cc3)c2c1 587640063 BLLGPMUDZXZEKR-NSHDSACASA-N 361.819 6.503 0 1 FKAF CC[C@@H]1C[C@H](C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587818217 CWERCOIRHQXQIG-AZGFTEDZSA-N 354.307 5.164 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(c3ccccc3)C2)N1 587819500 IJRJHEBRZOURPB-JYMLRBTQSA-N 374.297 5.069 0 1 FKAF COc1ccc2c(c1OC)[C@H]([C@H](CC(C)C)c1ccccc1)N(C)[C@@H](C)C2 962616763 AODUIBNRHSWRTN-WGGBDISSSA-N 367.533 5.451 0 1 FKAF Fc1ccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1Cl 962712264 QUIFQMBVEMLDQE-BFUOFWGJSA-N 365.876 5.071 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(OC)c3ccccc23)N1 962950507 NIHGVTSMZODSIN-WNSKOXEYSA-N 356.469 5.343 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCc3c2ccc(Cl)c3Cl)N1 962959863 QYVBZEYEUYNLGZ-XUSGNXJCSA-N 371.311 5.589 0 1 FKAF COc1cccc(-c2ccc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cc2)c1 963096961 DZRADTJJNKESOH-WIOPSUGQSA-N 373.471 5.611 0 1 FKAF CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(OCCN)c(C)c1 1857630186 CDGZEJUQQJTSQX-UHFFFAOYSA-N 355.522 5.233 0 1 FKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CCC(C)=CC(=O)O)C(C)=CC[C@H]2C1(C)C 2356600364 JAOSZJFNMXPMLX-VQQMMKBISA-N 362.510 5.138 0 1 FKAF COc1c(-c2cccc(C(F)(F)F)c2)c2ccnc3cc[nH]c(c1OC)c32 2382224296 MCVLGIUCDQMHLI-UHFFFAOYSA-N 372.346 5.419 0 1 FKAF CCC(CC)c1nc2cc(NC(=O)c3ccc(C)cc3)c(N(C)C)cc2[nH]1 2382231319 JWDLFQNXXCQUBI-UHFFFAOYSA-N 364.493 5.093 0 1 FKAF CC(C)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1 774855 OSADSIDZGGJBFO-UHFFFAOYSA-N 354.837 5.048 0 1 FKAF CC(=O)O[C@@H](C/C(C)=C/CCc1ccoc1)C[C@@H](C)CCCc1ccoc1 15222724 FTIFGDQWFHYSPU-YLLZQLGKSA-N 372.505 6.122 0 1 FKAF Clc1cc(Cl)cc(-c2nc[nH]c2-c2cc(Cl)cc(Cl)c2)c1 25977922 SKLDETUXSSHYRZ-UHFFFAOYSA-N 358.055 6.357 0 1 FKAF CN(CC(=O)N(C)[C@H](c1ccccc1)C1CCCCC1)C1CCCCC1 26391268 YKWFFOSGPBJYAA-HSZRJFAPSA-N 356.554 5.031 0 1 FKAF CCCS[C@H]1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 27076116 KXZQVMAYYXKOIF-OAQYLSRUSA-N 351.515 6.495 0 1 FKAF CC(C)C[C@@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1CC1CCC(C)CC1 27209379 YUFCTXRFOLKQOF-SLMMIHQXSA-N 359.602 5.164 0 1 FKAF COc1c(C/C=C/c2ccccc2)ccc(O)c1C/C=C/c1ccccc1 28712283 PTERTXDJORBYGU-VOMDNODZSA-N 356.465 5.913 0 1 FKAF O=C(O)c1cccc2c3c(n(Cc4cccc(C(F)(F)F)c4)c12)CCCC3 38699187 SSSQUPDZJXCKSM-UHFFFAOYSA-N 373.374 5.285 0 1 FKAF Cc1ccc(-c2cccc(C(=O)N3CCc4c([nH]c5ccccc45)C3)c2)cc1 40380059 OMVJBGDCEKAXSJ-UHFFFAOYSA-N 366.464 5.342 0 1 FKAF Oc1cccc(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)c1 40975527 GJRNUXBFTTXFHD-NRFANRHFSA-N 365.885 6.404 0 1 FKAF CCC[C@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(OC)cc1 45167396 IVIWWDXZJCJBJV-SFHVURJKSA-N 367.533 5.824 0 1 FKAF Oc1cccc(-c2ccc(-c3cn(CSc4ccccc4)nn3)cc2)c1 66114043 YUEWKJSWFAGEJD-UHFFFAOYSA-N 359.454 5.068 0 1 FKAF CC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1ccc(C(C)C)cc1 66252198 YCPSPZNZNFKNHY-UHFFFAOYSA-N 363.501 5.937 0 1 FKAF COc1ccc(-c2csc(Nc3ccccc3C(F)(F)F)n2)cc1 72118564 ZESLZNJNGXPTAA-UHFFFAOYSA-N 350.365 5.581 0 1 FKAF O[C@H](CCN1CC=C(Cc2ccccc2)CC1)c1cc2ccccc2s1 84669199 NBIWTPBSAFCSRX-OAQYLSRUSA-N 363.526 5.200 0 1 FKAF Fc1ccc([C@H]2C[C@@H]3CC[C@H](S3)[C@H]2c2cc(-c3ccccc3)no2)cc1 101388961 LSHLQBBAJNMIOH-GKJHBJHPSA-N 365.473 6.016 0 1 FKAF CC1=C(C)C[C@@H]2C(=O)N(c3cc(C(C)(C)C)ccc3C(C)(C)C)C(=O)[C@H]2C1 102938422 BLRBFXKWWFDGCB-ROUUACIJSA-N 367.533 5.517 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCC(=O)O 231934317 YLEARPUNMCCKMP-AVHBIOJASA-N 361.526 5.333 0 1 FKAF CCC[C@H]1CC[C@@H]([C@H]2CC[C@H](c3ccc(OCC)c(F)c3F)CC2)CC1 306120492 CFJCNWQXOICKIF-WAAHFUDESA-N 364.520 7.244 0 1 FKAF Fc1ccc(Cn2ccc3c4cccc(Br)c4nc-3c2)cc1 377816227 GQVNMSFKQAJZKR-UHFFFAOYSA-N 355.210 5.091 0 1 FKAF CCCCC[C@@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990337 CYZPLWBMDGBHNO-HNNXBMFYSA-N 373.452 5.405 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991371 UMVBIKVKVCKFQC-KGLIPLIRSA-N 357.453 5.789 0 1 FKAF CNc1cc(Cl)ccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587067062 ZVBRBSOAISJNCD-UHFFFAOYSA-N 365.889 6.076 0 1 FKAF FC(F)(F)c1cccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587074236 UGVRQRBVZYQMNJ-UHFFFAOYSA-N 373.765 5.964 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1ccccc1[C@@H](C)C4)-c1ccccc1C2=O 587099977 CAVHXABDGSCJOW-HNNXBMFYSA-N 361.444 6.081 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587162983 YSRLIFJVZVDWCH-MOPGFXCFSA-N 358.416 5.552 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587170929 VZJVKKMQMMDLFI-ZETCQYMHSA-N 358.335 5.154 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C)cc(C)c3[nH]2)c1 587195911 ODRVJCQAYZIWHK-UHFFFAOYSA-N 365.477 5.526 0 1 FKAF Clc1cc2c(c(-c3cc4c5c(cccc5n3)CC4)c1Cl)OCCO2 587209763 WRYOFQOPKALKNB-UHFFFAOYSA-N 358.224 5.078 0 1 FKAF COc1cc2c3c(c1)O[C@@H](C(C)(C)Sc1ccc(Cl)cc1)[C@@H](C2)C3=O 587448586 JWBQQCNDOUNOLM-HNAYVOBHSA-N 374.889 5.036 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1SC(C)C)[C@@H](C2)C3=O 587448934 NIRSEABQZAFUAO-RNODOKPDSA-N 374.889 5.338 0 1 FKAF O=C1C[C@](c2ccc(F)cc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587510768 WFZPAZFZFKABMD-DEOSSOPVSA-N 373.427 5.009 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC[C@@H](c1ccccc1)C2 587605366 ZENIPNCBUPPLNB-JKHABCDFSA-N 372.420 5.060 0 1 FKAF COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2-c2cccc(F)c2)cc1 587624362 HYRMFJHKCBPBBU-UHFFFAOYSA-N 365.835 6.611 0 1 FKAF CCc1c(-c2ccc(Br)c(C)c2)[nH]c2cc(Cl)c(F)cc12 587627690 IIADCEKKDXRAIP-UHFFFAOYSA-N 366.661 6.261 0 1 FKAF CCc1c(-c2ccc(Br)c(C)c2)[nH]c2c(C(=O)O)cccc12 587636705 DSSUYKLYIBILSM-UHFFFAOYSA-N 358.235 5.166 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2Cl)N1 587727716 PBLVGXVLKWJZPK-ZKANADHPSA-N 372.640 5.004 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2CCC2)N1 587819762 NGUXMSOVDAADFF-RBZFPXEDSA-N 374.297 5.166 0 1 FKAF CCCc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587821447 VCEBDVLQIDEUMH-BUXKBTBVSA-N 362.286 5.164 0 1 FKAF CC(C)C1CCC([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587822667 LVVXXSKESNKVFL-WGFJEIQISA-N 368.334 5.626 0 1 FKAF CC(C)c1ccc(-c2ccc3nnc(-c4ccc5nccnc5c4)n3c2)cc1 1857579538 FCEOOJDEQAHMSJ-UHFFFAOYSA-N 365.440 5.130 0 1 FKAF Cc1ccc(CN(CCCOc2cccc3[nH]ccc23)C(C)(C)C)cc1 2382236389 GNBXRIFHCWSOFT-UHFFFAOYSA-N 350.506 5.546 0 1 FKAF C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc2ccccc2c1 13662096 RBOGTOKHHDCLPU-DNQHQPOYSA-N 367.492 5.752 0 3 FKAF CN1Cc2ccccc2[C@@H](c2ccc(Cl)cc2)N=C1CCc1ccccc1 3779572 RXSABPFLFWYWBP-XMMPIXPASA-N 374.915 5.906 0 1 FKAF Fc1cccc(Cl)c1[C@@H]1SCc2nc3cc4ccccc4cc3n21 5580551 XFDWUSABMXHHMJ-IBGZPJMESA-N 354.837 5.776 0 1 FKAF COc1ccc([C@@H]2C[C@H](c3ccccc3)Oc3cc4c(cc32)OCO4)cc1 13829807 YQRRFKSPYWIJGA-AZUAARDMSA-N 360.409 5.080 0 1 FKAF CCCCC[C@H](O)CCC[C@H](CCCc1cccc(C(=O)O)c1)C(C)=O 27085989 IMGVNPALGBFDNS-FPOVZHCZSA-N 362.510 5.024 0 1 FKAF FC(F)c1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl 28897875 XCFGLAOPQDNJPH-UHFFFAOYSA-N 354.187 5.238 0 1 FKAF Clc1cccc(Nc2nccc(-c3cccc(N4CCCCC4)c3)n2)c1 29126190 VQHKIRHDFZUMCY-UHFFFAOYSA-N 364.880 5.531 0 1 FKAF CCCC[C@@H](CC)CC(=O)c1ccccc1C(=O)C[C@H](CC)CCCC 72187401 ZUUMDAOVLDVZID-WOJBJXKFSA-N 358.566 7.265 0 1 FKAF CCc1cnc(-c2cnc(N[C@H](C)CC)nc2-c2cccc(C)c2)s1 82173706 NGGCAOWFULFNFH-CQSZACIVSA-N 352.507 5.348 0 1 FKAF CCN[C@@H]1CC=C(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)CC1 84670444 BPVHTTZVPKXNPJ-OAHLLOKOSA-N 364.518 5.212 0 1 FKAF CCOC(=O)Nc1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1 84728038 HYFAMJWKJODANN-UHFFFAOYSA-N 350.205 5.105 0 1 FKAF O=C(CCCCc1ccc(-c2ccccc2)cc1)C(F)(F)C(F)(F)F 96915452 RXWDHXWQZBZTLT-UHFFFAOYSA-N 356.334 5.833 0 1 FKAF c1ccc(C2=N[C@H](c3c[nH]c4ccccc34)c3c(ccc4ccccc34)O2)cc1 98084479 XHFVRDGKNPHGGD-RUZDIDTESA-N 374.443 6.250 0 1 FKAF Cc1c(F)c(F)c(COC(=O)C[C@H]2[C@@H](/C=C/Cl)C2(C)C)c(F)c1F 103216084 DSXBTEQGTIWPKR-ZJRFNNFUSA-N 364.766 5.009 0 1 FKAF CC[C@@H](C)CCCCCCCCCCCCCCCCCCCCCO 146591079 JQPKCZJYNBKKDM-RUZDIDTESA-N 368.690 8.827 0 1 FKAF in-vitro Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 586885693 DBESZCYTXZHVHU-ZBEGNZNMSA-N 366.408 5.320 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(N)c(F)c4)nc13)-c1ccccc1C2=O 586996840 SWURQMFAZMDEPN-UHFFFAOYSA-N 354.384 5.143 0 1 FKAF FC(F)(F)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587033406 UNGIMJSKRFOJOW-UHFFFAOYSA-N 373.403 5.590 0 1 FKAF FC(F)(F)c1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1Cl 587084208 JHMFMCGNZDTPAJ-UHFFFAOYSA-N 372.177 5.363 0 1 FKAF CCCCCOC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098225 WDRHXKCXGWMETH-UHFFFAOYSA-N 373.452 5.031 0 1 FKAF O=C1c2ccccc2-c2cc(/C=C/c3ccc(F)cc3)nc3cccc1c23 587103770 IZRYWBNFCTUROF-JLHYYAGUSA-N 351.380 5.756 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(F)c(F)c3O)nc3cccc1c23 587104617 ZNGQJBWNWCSAOB-UHFFFAOYSA-N 359.331 5.097 0 1 FKAF Fc1cc(Br)c(Cl)cc1-c1nc2cccc(Cl)c2[nH]1 587136072 BHKKPCWAESHKQH-UHFFFAOYSA-N 360.013 5.438 0 1 FKAF Cc1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br 587150826 FLQQKLWNKPXAHC-WDEREUQCSA-N 363.205 5.183 0 1 FKAF COc1cccc(-c2c(C)c(-c3ccc(C)o3)nc3c2oc2ccccc23)c1 587367758 ZSHAEJADYUUCIB-UHFFFAOYSA-N 369.420 6.533 0 1 FKAF C[C@@]1(CCc2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505409 MXIHZRUOGFGGKR-JOCHJYFZSA-N 356.412 5.200 0 1 FKAF O=C1C[C@@H](C(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 587520935 BJCFXUOBIRMJLO-DEOSSOPVSA-N 368.476 5.731 0 1 FKAF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2OCC(F)(F)F)cc1 587629936 OGMZEOUWVWGWLE-UHFFFAOYSA-N 357.734 5.877 0 1 FKAF CC(C)=CCC[C@@H](C)C[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821018 SGPWAVAIHZAOOR-BIENJYKASA-N 368.334 5.936 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccccc2o1 587859767 IEGCVGKBRHQSIR-UHFFFAOYSA-N 374.227 5.386 0 1 FKAF C[C@@H]1CC=CC[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 587966360 DDYNQOUEWACRJR-RKDXNWHRSA-N 370.088 5.158 0 1 FKAF C/C(=C/c1nc2cc(Cl)cc(Br)c2[nH]1)C1CCCCC1 587969276 XPEJQRHYGIHNFV-YFHOEESVSA-N 353.691 5.962 0 1 FKAF C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1NCCc2cc(-c3ccccc3)ccc21 962657284 ALRBEGWHYYLYGY-CRICUBBOSA-N 371.480 5.148 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCC[C@H](c3ncccc3C)C2)N1 962942638 BQIKBYBHHYXURE-RHGYRFJNSA-N 359.517 5.349 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccccc3O)n2)cc1 1772620084 AWJIRXXSVSKOQI-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF CCCCCn1/c(=N/C(=O)c2cccc3ccccc23)sc2ccccc21 1857603381 WHCXRHXQUGBZJP-VHXPQNKSSA-N 374.509 5.787 0 1 FKAF O=C(c1ccccc1Cl)c1ncc2cccn2c1-c1cccc(Cl)c1 1857654148 XWXMRLQEWRBKJN-UHFFFAOYSA-N 367.235 5.539 0 1 FKAF CCCC[C@@H]1C[C@@H](CC)OC(=O)[C@@H]1CCCOC(=O)c1ccccc1C 2356851210 QFDPSZWFISIFKH-QWFCFKBJSA-N 360.494 5.080 0 1 FKAF CC(=O)O[C@]1(c2ccccc2)Sc2c(Cl)cccc2-n2cccc21 13651985 XKYTWYHHWUGWBX-LJQANCHMSA-N 355.846 5.001 0 1 FKAF COc1cc(C)c2c(c1)CC[C@@](C)(CC/C=C(\C)CC/C=C(/C)C(=O)O)O2 14691408 AABSZBMLGKTAOK-IYMLSCDFSA-N 372.505 5.625 0 1 FKAF Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCc2ccncc2)c1 26014956 AFOLPDIPZANTOF-UHFFFAOYSA-N 355.485 5.179 0 1 FKAF CC(/C=C/[C@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O 26467857 HOAYGRVRYIUNNV-HOMFKRFTSA-N 366.545 6.506 0 1 FKAF C[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]21CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1 27423349 QJVGPUYCCNEQKK-BCFYGZNGSA-N 369.549 5.534 0 1 FKAF c1ccc(CCCN[C@@H]2CCc3cccc(OCc4ccccc4)c3C2)cc1 28763270 MQCWBUREANIKNT-XMMPIXPASA-N 371.524 5.345 0 1 FKAF CC(C)c1ccc(/C(=C\C[C@@H](N)C(=O)O)c2ccc(C(C)(C)C)cc2)cc1 28769765 SBHYREVKOXXNLS-QJUACMODSA-N 365.517 5.341 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820801 PBEOKCZYNAQOKE-HBRDEYFMSA-N 374.565 5.427 0 1 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1 34136399 MYTBMURTERFGRG-LRBBLMIVSA-N 358.614 5.104 0 1 FKAF biogenic Cc1c2c(c(C[C@H](C)CC(C)(C)C)c3c1C(=O)OC3)Oc1ccccc1O2 35090771 YTZGGOROVWKIPY-ZDUSSCGKSA-N 366.457 6.178 0 1 FKAF Cc1nn(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C 45384536 FZOFYAKHPAXACJ-NQBQSDHDSA-N 368.480 5.508 0 1 FKAF Cc1ccc(Cc2cc(O[C@H]3CCCC[C@H]3C)c(C(C)C)c(=O)[nH]2)cc1 95587845 IEEKRCLQMYQEAW-XLIONFOSSA-N 353.506 5.355 0 1 FKAF CCCCn1c(=S)[nH]c2c(c1=N)[C@H](c1ccccc1)C1=C(CCCC1)N2 103164518 AQXSYPKTWVKWBE-QGZVFWFLSA-N 366.534 5.211 0 1 FKAF CCOC(=O)C(C)(C)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 163531435 NHZKOVKSBLMABI-UHFFFAOYSA-N 352.540 5.421 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)NCC(C)C 169369718 FZOGFFNFVAADJW-NKXWDUBDSA-N 374.613 6.697 0 1 FKAF CC[C@H](C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299819518 DAXMFHJYAYLAJM-UYDUATFGSA-N 373.581 5.081 0 1 FKAF CC(C)c1ccc(COc2ccccc2[C@@H]2CC(=O)c3ccccc3O2)cc1 299863635 LGYIQGCQPFOBMZ-VWLOTQADSA-N 372.464 6.096 0 1 FKAF Oc1ccc(C2(c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)CC2)cc1 586896047 HOJNWMOUFFTLRU-UHFFFAOYSA-N 352.743 5.021 0 1 FKAF Cc1cc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)n1 586987395 ABMCVVALGCDERN-UHFFFAOYSA-N 366.420 5.139 0 1 FKAF FC(F)(F)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(C(F)(F)F)c1 587094577 CDFHODZQMUDQBV-UHFFFAOYSA-N 364.676 5.921 0 1 FKAF C[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587354455 QRRSEIMGOPMLQO-FUEHQLCJSA-N 374.411 5.293 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1csc4ccc(Cl)cc14)[C@@H](C2)C3=O 587451112 ICEKZMWMFDYVEP-DJJJIMSYSA-N 356.830 5.052 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)c(C)cc1Cl)CC2=O 587460716 OXBAQYWDDBNIMM-OAQYLSRUSA-N 358.865 5.496 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)c1ccc(Cl)cc1)CC2=O 587463926 ZVMAYZZBOFTPQH-YEJXKQKISA-N 358.865 5.526 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N1CCCCC1)CC2=O 587478091 ZVENTMBTRPYMHM-JOCHJYFZSA-N 365.473 5.042 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(C(C)(C)C)cc1N)CC2=O 587493795 HYKSNTWSXLDJGF-OAQYLSRUSA-N 373.518 5.167 0 1 FKAF O=C1C[C@@]2(CCC[C@@H]2c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587498253 DLXFSYQRBHZCTA-NFBKMPQASA-N 366.888 5.891 0 1 FKAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1C(F)F 587509780 WHQSVEWNCVTSGZ-SFHVURJKSA-N 358.384 5.218 0 1 FKAF Fc1cc2[nH]c(Cc3ccccc3Oc3ccccc3)nc2cc1Cl 587950463 QZOFSADCKPFRHZ-UHFFFAOYSA-N 352.796 5.739 0 1 FKAF CCc1ccccc1[C@]1(c2cccc(Cl)c2)NCCc2ccc(O)cc21 963352123 JCEHTHLZIZTLSE-QHCPKHFHSA-N 363.888 5.046 0 1 FKAF Cc1nc(-c2ccccc2)oc1-c1csc(-c2ccc(Cl)cc2)n1 1772573622 BGCYNKUGCVNUMZ-UHFFFAOYSA-N 352.846 6.094 0 1 FKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CO)C1 1857636396 MLNXYAOGHDXVMY-SZCYIGQKSA-N 374.565 5.126 0 1 FKAF CN(c1ccccc1)c1cc2oc(-c3ccccc3)nc2c2ccccc12 1857643780 KZULGKTUUJKINR-UHFFFAOYSA-N 350.421 6.416 0 1 FKAF CC[P@@](=O)(OC)c1ccc2nc(-c3cccc(Cl)c3Cl)oc2c1 1911576889 YYFBHUWZZCHPQP-HSZRJFAPSA-N 370.172 5.371 0 1 FKAF CCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=S)[nH]c1C 598514 RGHSEODWAAUYRU-UHFFFAOYSA-N 367.301 5.848 0 1 FKAF COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(Cl)cc2)cc1 3814727 NXKGVHPWOYJYQL-UHFFFAOYSA-N 352.743 5.220 0 1 FKAF CN(C)CCCn1cc(-c2cncc(-c3ccsc3)c2)c2ccccc21 13538115 SJOOREQEKGMGLH-UHFFFAOYSA-N 361.514 5.384 0 1 FKAF CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNCCC[C@H](C)N 26175095 ZBINKVYSDZCYDZ-ZZQRAECTSA-N 370.625 5.537 0 1 FKAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CNCC)C[C@H]21 29227189 DXIOOQNKRUFXHA-RBUKOAKNSA-N 357.538 5.325 0 1 FKAF Fc1ccccc1Oc1cc(NCc2ccc(C(F)(F)F)cc2)ncn1 34044393 BFDQKQYNOCNQQK-UHFFFAOYSA-N 363.314 5.039 0 1 FKAF CC(C)c1ccccc1Sc1c(O)cc(-c2ccc(Cl)cc2)oc1=O 36124549 WLWNCMJSZYJCCF-UHFFFAOYSA-N 372.873 5.940 0 1 FKAF Cc1nccc2c3ccc(OCC(C)C)cc3n(CCCc3ccccc3)c12 95597067 NRKUESUIVNLFCS-UHFFFAOYSA-N 372.512 6.166 0 1 FKAF Cc1nc2ccccc2cc1-c1nnc(-c2ccc(F)c(C(F)(F)F)c2)o1 103273591 YWMJTWONCXUSHX-UHFFFAOYSA-N 373.309 5.418 0 1 FKAF C/C(=C\c1nsc(Nc2ccc(Cl)cc2)n1)NC1CCCCCC1 103947571 NPNFTATVNHDFQO-OUKQBFOZSA-N 362.930 5.608 0 1 FKAF C[C@]1(O)CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 141916803 NUQFLUNVPLSEAB-DCXKTVFBSA-N 363.545 5.789 0 1 FKAF C[C@@H](N[C@H]1CC[C@H](c2ccc(C(=O)O)cc2)C1)c1cccc2ccccc12 145541902 RVOJEPPTKATVSU-CZAAIQMYSA-N 359.469 5.525 0 1 FKAF COc1cc2cncc(Cc3ccc4oc5ccccc5c4c3)c2cc1OC 148607055 MUAKOSKOYNOYFI-UHFFFAOYSA-N 369.420 5.742 0 1 FKAF O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3ccc(Cl)cc3S[C@@H]12 169715414 OKJHKQXUWBHPHS-BBATYDOGSA-N 362.281 5.687 0 1 FKAF Cc1oc(-c2ccsc2)nc1Cc1nc2cccc(C(C)(C)C)c2[nH]1 587027241 SAIOBBYXKCPYML-UHFFFAOYSA-N 351.475 5.476 0 1 FKAF Cc1c(Cl)ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587085148 LWFUDGSJQHSVSN-UHFFFAOYSA-N 355.228 5.302 0 1 FKAF Cc1ccc2c3c(cc(/C=C\C4CCCCC4)nc13)-c1ccccc1C2=O 587099940 YLPOJIZCCHUHQW-SEYXRHQNSA-N 353.465 6.348 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H](C(C)C)CC[C@@H]4C)-c1ccccc1C2=O 587100636 MZGOBYKQAKUZHR-HOCLYGCPSA-N 355.481 6.392 0 1 FKAF CCCCCC[C@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100839 PMQBMYBFCVKXHT-KRWDZBQOSA-N 369.508 6.755 0 1 FKAF Cc1c(Br)ccc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c12 587150175 KXKQGBJTGHVNQB-SECBINFHSA-N 367.193 5.052 0 1 FKAF COc1cccc(-c2c(C(C)C)c(C(=O)O)nc3c2oc2ccccc23)c1 587365840 JDBOYKGWORRNST-UHFFFAOYSA-N 361.397 5.478 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(C)(C)c1c[nH]c3ccccc13)O2 587395992 HWVMBKBVYQXINR-QHCPKHFHSA-N 362.473 5.150 0 1 FKAF CCCCc1oc2ccccc2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587448089 BLSVRYPYUHXVPA-MWTRTKDXSA-N 362.425 5.273 0 1 FKAF CCCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1C 587476686 AEDOBLDCCJVSLD-NRFANRHFSA-N 354.446 5.148 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c4c(cccc14)CC3)CC2=O 587490186 RZLGQVWSUUTYGA-RUZDIDTESA-N 372.464 5.477 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(s1)CCCC3)CC2=O 587493336 DZRSSWREKWSWJU-NRFANRHFSA-N 356.487 5.166 0 1 FKAF C[C@@]1([C@@H]2C[C@H]2c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587530610 GDHFUKCXBWGZMI-ZOCZFRKYSA-N 372.917 5.808 0 1 FKAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 587547870 VEWSQLZMBWZINR-GHTZIAJQSA-N 366.800 5.057 0 1 FKAF CC(C)CC[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604097 QWQHNICJZJXBQP-ITSWEJNFSA-N 366.457 5.329 0 1 FKAF COc1cccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)c1 587628217 JFWPQIJBBIYOGG-UHFFFAOYSA-N 371.717 5.381 0 1 FKAF Cc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2cccc(F)c12 587632050 BWUZRYHHSFQOCE-UHFFFAOYSA-N 359.615 5.163 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c([C@@](O)(c3ccccc3)C(F)(F)F)c2c1 587641122 KAWPMDFSUODVJJ-XCLFUZPHSA-N 361.407 5.788 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C)c3ccccc32)N1 587816796 DJFZZHCZXBZJJG-VFGMZZLHSA-N 374.297 5.263 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2C(C)(C)C)N1 587824263 VUZQXKIWRBVTFQ-XFHNUULXSA-N 368.334 5.554 0 1 FKAF Fc1ccc2c(c1)-c1cc(n(C(=S)Nc3cccc4ccccc34)n1)O2 587876527 QJRJEHMVKSOESL-UHFFFAOYSA-N 361.401 5.193 0 1 FKAF CC[C@H](OC(=O)c1ccccc1)c1nc(-c2ccc(F)c(F)c2)cs1 587921910 BCOXFFKVMGUIDG-KRWDZBQOSA-N 359.397 5.396 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)c1 587932121 NIJHMXWMAXVNEI-UHFFFAOYSA-N 366.420 5.764 0 1 FKAF CCC[C@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(C)C 587954799 FYRNHGQZHUXZGS-JTQLQIEISA-N 363.221 5.884 0 1 FKAF C[C@](O)(C[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1NCCc2cccc(-c3ccccc3)c21 962667523 LRLSNPGGAANAOB-DDNPLQQISA-N 361.529 5.118 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1ccc(Cl)cc1C(F)(F)F 963096222 MNKAXGTXAKLLMH-RDTXWAMCSA-N 369.789 5.608 0 1 FKAF COc1ccc2c(c1)[C@]1(CC[C@@H]1C(C)C)N(Cc1ccc(F)cc1)CC2 963305375 XNBDCZRZTKNYMP-FYYLOGMGSA-N 353.481 5.154 0 1 FKAF O=C(Nc1cncc(-c2cc(-c3cccnc3)cs2)c1)c1ccccc1 1857774480 VCPMMWNIOJMAKT-UHFFFAOYSA-N 357.438 5.124 0 1 FKAF CC(C)=C[C@H](O)[C@H](O)[C@@H](C)CCCC(C)=CCc1c[nH]c2ccccc12 2356622595 JMJIEBPTDSDJNZ-OFAXGOBFSA-N 355.522 5.151 0 1 FKAF CCc1c(-c2cccc(Cl)c2)ncn1Cc1cccc(-c2ccccc2)c1 95565635 VOCJPULVMWUTBD-UHFFFAOYSA-N 372.899 6.481 0 3 FKAF COc1ccc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC 25985573 LNKCHSNGVJDNDN-MDZDMXLPSA-N 368.517 6.175 0 1 FKAF CCCCC[C@](C)(O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@@H]1C2 27556734 ZVXFCSQGGXYOEG-MXEDGPONSA-N 362.554 5.737 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3C=C[C@@]21C 33820765 AJPSTQMYBCEBQR-LVVAJZGHSA-N 358.566 6.312 0 1 FKAF Cc1c(Cc2ccccc2)nc(SCc2ccc3ccccc3c2)[nH]c1=O 49045447 DVISVCCWUQRDCF-UHFFFAOYSA-N 372.493 5.115 0 1 FKAF Cc1cc(/C=C/c2cccc(C(=O)Oc3ccc(F)cc3)c2)cc(C)c1O 58564064 YDSMVVNYVJZDET-VOTSOKGWSA-N 362.400 5.538 0 1 FKAF in-vitro CCCOc1ccc(C(=S)NCc2ccc(F)c(C(F)(F)F)c2)cc1 66129504 MWLWHGJTIWEBES-UHFFFAOYSA-N 371.399 5.099 0 1 FKAF c1ccc(Oc2ccc(-c3nnc4ccc(-c5ccccc5)nn34)cc2)cc1 82060442 LFOPGKSDCJZPMM-UHFFFAOYSA-N 364.408 5.251 0 1 FKAF COc1cccc(N(C)C(=O)c2ccc(-c3cccc(C)c3F)s2)c1 95581223 RXAOGMJZIIAPAS-UHFFFAOYSA-N 355.434 5.148 0 1 FKAF Cc1ccc2c3c(ccc2n1)N=C1CCCC(O)=C1[C@H]3c1ccccc1C 104106276 OFDLYOSMSUDKTC-QHCPKHFHSA-N 354.453 6.066 0 1 FKAF CCCCN(CC)c1ncnc(Nc2c(C)cc(C)cc2C)c1SCC 169310343 ZCCVBBJZYKUZGV-UHFFFAOYSA-N 372.582 5.884 0 1 FKAF Cc1ccc2c(c1)N[C@@H](c1c(F)cccc1Cl)[C@@H]1C(=O)CCCC1=N2 169722025 SWZGDUAWMLWJDS-PMACEKPBSA-N 356.828 5.396 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587067148 VQSXYPQCEKBWTM-UHFFFAOYSA-N 372.749 5.093 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccccc2[nH]1 587071758 MYUVBQDEEJSKNA-NXHOZURCSA-N 357.284 6.236 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](C1=CCCCC1)CCC3 587207565 NLUWZCFNTQQCCZ-KRWDZBQOSA-N 365.476 6.367 0 1 FKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(F)c(F)c2[nH]1 587247521 NLRNVJUYOIWIOY-UHFFFAOYSA-N 365.383 5.256 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](Cc1ccc(Cl)c(Cl)c1)CC2=O 587462554 OVKMBBGLOFZYOS-LBPRGKRZSA-N 365.256 5.228 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](C1CCC(c3ccccc3)CC1)CC2=O 587482553 OQOALDXFGBENTG-KXXGJQBSSA-N 364.485 5.653 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CSc1ccccc1)(C(C)C)CC2=O 587493638 UDERCGOLQJRYBC-QFIPXVFZSA-N 370.514 5.497 0 1 FKAF CC(C)(c1ccc(F)cc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587501901 AYZZYFZGJHEHJS-HSZRJFAPSA-N 352.449 5.406 0 1 FKAF O=C1CC2(CCC(c3ccc(F)cc3)CC2)Oc2c1ccc1c2CCCC1 587504506 HLLTYPDTLGBQBT-UHFFFAOYSA-N 364.460 5.766 0 1 FKAF CCc1ccc(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)cc1 587629273 HTPJRIVUSWSVNB-UHFFFAOYSA-N 351.755 5.691 0 1 FKAF CCCC[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587705509 MXDMVENJHFAHDG-LKFCYVNXSA-N 368.212 5.070 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(Cl)c2)N1 587720155 RJULBNHCZJJCLM-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CCCCCC2)N1 587817959 FTMWNVBOMFPIDP-SGTLLEGYSA-N 354.307 5.308 0 1 FKAF CC1=CC(C)(C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587819627 WFEBDPKAHDIUAX-KZULUSFZSA-N 352.291 5.084 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCC2CCCCC2)N1 587820784 RAWWZBYEWMXDCV-WBMJQRKESA-N 354.307 5.524 0 1 FKAF COc1cccc(-c2cccc(-n3c(O)cc(-c4ccccc4C)c3O)c2)c1 587937453 LRKRYSYKBSUXGH-UHFFFAOYSA-N 371.436 5.540 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587950906 GWKTZZNFCSDXPE-NSHDSACASA-N 368.339 5.178 0 1 FKAF FC(F)(F)Oc1cccc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587960220 YSPZVZQMLJPLSJ-UHFFFAOYSA-N 368.358 5.719 0 1 FKAF CCn1ccc2ccc([C@@H]3c4ccsc4CCN3Cc3ccco3)cc21 962715694 XKMGFGRCUBDDAO-JOCHJYFZSA-N 362.498 5.463 0 1 FKAF C[C@@H]1CC=C[C@]2(CCC[C@@H]3[C@H](Cc4cc(O)cc(CCO)c4)CCC[C@@H]32)C1 2356634410 HCZIZZTYUPOQQP-BDOCBTIHSA-N 368.561 5.658 0 1 FKAF C[C@@H](c1cc(=O)[nH]c(SC2CCCC2)n1)c1c(Cl)cccc1Cl 5890141 ZXIGCDPQJLENIW-JTQLQIEISA-N 369.317 5.263 0 1 FKAF CCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n1[C@H](C)C1CC1 13479582 AAARPHXZKXDSID-LLVKDONJSA-N 360.288 5.939 0 1 FKAF CCC/C=C(\C)CSC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28096500 OISADBQASBHBLJ-KPFILYAGSA-N 366.567 5.461 0 1 FKAF CCN(CC)CCCOc1ccc(/C=C/c2nc3ccccc3s2)cc1 29480280 WEAMLVVPKWTPNB-NTCAYCPXSA-N 366.530 5.577 0 1 FKAF CCCCc1ccc(-c2ccc3nc(-c4ccc(C(=O)O)cc4)[nH]c3c2)cc1 34963334 DXGGXFJKELTYAT-UHFFFAOYSA-N 370.452 5.938 0 1 FKAF CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc12 40943444 ICMUBHJJQVALPP-UHFFFAOYSA-N 365.816 5.524 0 1 FKAF Fc1ccccc1C[C@H](Cc1ccc(-c2ccccc2)cc1)n1ccnc1 45497016 FHSOIRBUWDZNNR-QHCPKHFHSA-N 356.444 5.716 0 1 FKAF Clc1ccccc1-c1ccc2nc(C3=NOC4(CCCCC4)C3)[nH]c2c1 66099331 BNJZZOAGJWNLDA-UHFFFAOYSA-N 365.864 5.711 0 1 FKAF COc1cccc(-c2nc(CNC(c3ccccc3)c3ccccc3)co2)c1 72185196 AHWPUZQSXZNVMN-UHFFFAOYSA-N 370.452 5.229 0 1 FKAF COc1cccc(Nc2nccc3[nH]c(-c4ccccc4Cl)nc23)c1 74386684 CXVCXPMKYXWBNE-UHFFFAOYSA-N 350.809 5.031 0 1 FKAF CCc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2ccc(F)cc2)s1 82164239 WNUMDCMHBJYUGQ-UHFFFAOYSA-N 370.497 5.061 0 1 FKAF Cc1ccc(OCc2csc(N)c2C(=O)c2ccc(Cl)cc2)cc1 96913270 AYQWMUQFBCYRRF-UHFFFAOYSA-N 357.862 5.102 0 1 FKAF O[C@@]1(C(F)(F)F)CCCc2c1[nH]c1c(Cl)cc(Cl)c(Cl)c21 118629066 ZMCLYZWHCWDGQL-LBPRGKRZSA-N 358.574 5.214 0 1 FKAF Fc1cc(Cl)ccc1CN1CCC(NC/C2=C\CCCCCC2)CC1 169292329 YJVLVRJBNDZAOW-FMQZQXMHSA-N 364.936 5.314 0 1 FKAF C=Cc1ccc(-c2nc3cc(Br)c(OCCCC)cc3[nH]2)cc1 586881438 LPURJIZAFYHXMH-UHFFFAOYSA-N 371.278 5.814 0 1 FKAF CC[C@@H](C)[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992169 YDKNMVJZTAQQBK-ZIAGYGMSSA-N 357.453 5.618 0 1 FKAF Cc1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2n1 587072283 QHKJERICPZOZDV-QIXNYHOWSA-N 372.299 5.939 0 1 FKAF Fc1ccc(/C=C/c2nc3cccc(OCc4ccccc4)c3[nH]2)c(F)c1 587150726 OQHAYQNWHPYPEZ-ZRDIBKRKSA-N 362.379 5.591 0 1 FKAF Clc1ccc(Oc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587209080 IVOPWNDKCXFGJQ-UHFFFAOYSA-N 357.840 6.446 0 1 FKAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 587244949 SNEHCQJSEJRJLH-UHFFFAOYSA-N 363.420 5.635 0 1 FKAF CC(C)[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353862 PGFVWNLBMBBHQQ-RRPUWOKSSA-N 368.448 5.475 0 1 FKAF COc1cccc(-c2cc(-c3occc3C)nc3c2oc2ccccc23)c1 587365257 FETCOSIZMWOSIG-UHFFFAOYSA-N 355.393 6.225 0 1 FKAF CCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587525201 TZNKSHPWKLLUPC-OAQYLSRUSA-N 366.457 5.069 0 1 FKAF FC(F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1 587622319 JTMONYNNXNOZED-UHFFFAOYSA-N 362.177 5.411 0 1 FKAF COc1ccc(Cl)cc1-c1[nH]c2ccc(F)c(Cl)c2c1C(C)C 587627891 FBRAOQVVTZKPEP-UHFFFAOYSA-N 352.236 6.413 0 1 FKAF Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2COc2ccccc2)cc1 587630831 QLOHGJGEKGHXEB-UHFFFAOYSA-N 369.798 6.346 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(Cl)ccc3O)c(CC(=O)O)c2c1 587642976 XYVNIKPKGFVOBN-LLVKDONJSA-N 357.837 5.335 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2c1 587643263 SLYWXCVPUFXUCE-OAHLLOKOSA-N 370.537 6.104 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C3CC3)c2)N1 587814912 JCWMVJOFCANAFH-ODXCJYRJSA-N 374.297 5.263 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 587930207 FDDGMXCKDMTZFL-UHFFFAOYSA-N 369.251 6.212 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2OC)(C(C)(C)C)N1 962946302 LEDPTWUEYKWQFO-UPCLLVRISA-N 362.517 5.391 0 1 FKAF COc1ccc(Cl)cc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772601892 ILOPXFFSYFBKQU-INIZCTEOSA-N 373.861 5.079 0 1 FKAF CCCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1C(=O)OC 2356563156 RSOBBJCWWQRAAM-UHFFFAOYSA-N 374.521 5.852 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]3Cc4ccc(O)cc4[C@@]3(C)CC[C@@H]12 2356750796 FUFDFVFIOVENBX-DILCGNMASA-N 366.589 6.865 0 1 FKAF Cc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCCC2)cc1 59955265 IOKJROFMMRNCJR-SFHVURJKSA-N 363.288 5.077 0 3 FKAF Clc1ccc(-c2c[nH]cc2[C@@H](c2ccccc2)n2ccnc2)c(Cl)c1 5974695 YVZNNBJVUUZYEA-HXUWFJFHSA-N 368.267 5.823 0 1 FKAF Clc1ccc2c(c1)Oc1ccccc1[C@@H]2SCCN1CCCCC1 25969475 JMUPGIFOBFKRCK-FQEVSTJZSA-N 359.922 5.754 0 1 FKAF CCC(=O)c1cc2c(o1)C[C@@H]1CC[C@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@H]34)[C@@]1(C)C2 40492085 BRNOSSNGWQHLRG-MIJDMXHDSA-N 370.533 5.191 0 1 FKAF CCN(C)c1ncc(-c2nc3ccccc3s2)c(-c2ccc(F)cc2)n1 82165179 XUJCIDYSQKRYOD-UHFFFAOYSA-N 364.449 5.016 0 1 FKAF CC1(C)[C@H]2C[C@H]1CC[C@@H]2CNc1cc(Oc2cccc(Cl)c2)ncn1 104930689 GDUAEVNDYXEOBP-CPUCHLNUSA-N 357.885 5.407 0 1 FKAF C(=C/c1n[nH]c2cc(-c3ccncc3)ccc12)\c1cccc(-c2ccccc2)c1 166997358 OTWHKJDIULRMBX-FMIVXFBMSA-N 373.459 6.462 0 1 FKAF COc1cc(/C=C/c2ccc(C)cc2)c(C(=O)O)c(O)c1CC=C(C)C 207999740 UKHOORBKELZCIZ-ZHACJKMWSA-N 352.430 5.087 0 1 FKAF Cc1cc(Br)ccc1OCc1nc2cc3ccccc3cc2[nH]1 586980564 AHRXJQQUYQFQMH-UHFFFAOYSA-N 367.246 5.366 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(CO)ccc4[nH]3)c21 587030671 ISLSEXUTBALEFM-CYBMUJFWSA-N 363.486 5.014 0 1 FKAF Clc1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587041242 LYYHIBUGFPQSLR-UHFFFAOYSA-N 362.907 5.274 0 1 FKAF Cc1cncc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587072509 YGUGBEBNVRDEEM-UHFFFAOYSA-N 355.228 5.302 0 1 FKAF C[C@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccccc1C(F)(F)F 587097579 LHXFXJLAMGVXGM-QMMMGPOBSA-N 359.178 6.040 0 1 FKAF CCc1c(-c2cccnc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097648 OYRQULVZBQJILQ-UHFFFAOYSA-N 350.421 5.379 0 1 FKAF Cc1nc2cccc3c2c(c1Cc1cccc(F)c1)-c1ccccc1C3=O 587104480 WKEDTNCYSVKTRB-UHFFFAOYSA-N 353.396 5.485 0 1 FKAF Cc1c(F)ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587125441 QJXNSXCZCGXCBL-WTKPLQERSA-N 352.356 5.793 0 1 FKAF Cc1c(Cl)ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 587144884 FNPVMSRKAGLKSH-UHFFFAOYSA-N 350.824 5.922 0 1 FKAF COc1cncc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c12 587145542 MGNFBAHLXIXJCG-UHFFFAOYSA-N 367.811 5.401 0 1 FKAF Fc1ccc(/C=C/c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(F)c1 587149633 OESXDAPBNVEERS-DUXPYHPUSA-N 358.697 5.684 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(Cl)cccc1Cl)(C(C)C)O2 587374700 JCEFSQWAENACNO-IBGZPJMESA-N 364.272 5.401 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3cc(Cl)ccc31)CC2=O 587463658 WOZVJFOUCTWFQU-NRFANRHFSA-N 372.848 5.031 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3[nH]c4ccccc4c31)CC2=O 587480549 DRBPURFMYPYPML-HSZRJFAPSA-N 361.441 5.023 0 1 FKAF CC[C@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501460 BVIXNPUVNAJOSQ-JOCHJYFZSA-N 372.411 5.438 0 1 FKAF CC(C)[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502234 CZMDISFUQBYMAZ-JOCHJYFZSA-N 356.412 5.360 0 1 FKAF O=C1C[C@]2(CCCC[C@@H]2Nc2ccccc2)Oc2c1ccc1c2CCCC1 587514881 XCTCFRQEZPCTAQ-UPVQGACJSA-N 361.485 5.324 0 1 FKAF CCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587520478 CPTFYWVFSXWSFW-QFIPXVFZSA-N 350.458 5.369 0 1 FKAF Cc1ccc([C@@]2(C3CCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524649 LUIJJJGJVBMIDL-VWLOTQADSA-N 360.497 5.925 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ccccc12 587600739 CBUVNINBFVCAKV-URXFXBBRSA-N 368.388 5.248 0 1 FKAF C/C(=C/c1ccccc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587815181 KKYFDESODJEERR-WRYGOPMOSA-N 374.297 5.441 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC2(C)C)N1 587818162 CIHYCNCRENWJLP-ADLMAVQZSA-N 354.307 5.164 0 1 FKAF CC1=CCC[C@H](C)[C@@H]1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587818465 DMHKDLVYBDVOHU-NYPXFFEGSA-N 352.291 5.156 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCC3(CC2)CC3)N1 587822184 JCKLWZSECZQEGX-PIGZYNQJSA-N 352.291 5.134 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCC[C@@H](c3ncccc3C)C2)N1 962942633 BQIKBYBHHYXURE-QZTZHPFYSA-N 359.517 5.349 0 1 FKAF Cc1nc(N(c2ccccc2)c2ccc3ccccc3c2)c(C)c(C)c1O 1772621689 MXWLMUQEZHUEDR-UHFFFAOYSA-N 354.453 6.335 0 1 FKAF COc1ccc(-c2cc3cc(-c4ccc(F)cc4)cc(C(C)=O)c3[nH]2)cc1 1857593012 BXMYUZXMJSZSKC-UHFFFAOYSA-N 359.400 5.852 0 1 FKAF CCCCCc1ccc(-c2cn(Cc3cc(-c4ccccc4)no3)nn2)cc1 1857768789 DUNQFOPKTVBQFP-UHFFFAOYSA-N 372.472 5.381 0 1 FKAF CC(=O)OCC(=CCc1cc(O)ccc1O)CCC=C(C)CCC=C(C)C 2356813269 CFEOWVOXMOQJKP-UHFFFAOYSA-N 372.505 5.603 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(Nc2ccc(F)cc2)c1 2382233499 DTQSIWVISQQENL-UHFFFAOYSA-N 355.800 5.867 0 1 FKAF COc1ccc(-c2n[nH]c(=S)c(-c3ccccc3)c2-c2ccccc2)cc1 5640216 VADJEQNYBHYQSU-UHFFFAOYSA-N 370.477 6.149 0 1 FKAF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 13298360 RPKLZQLYODPWTM-SIEBLWCLSA-N 360.582 6.536 0 1 FKAF O=C(NCc1ccccc1)c1cccnc1Oc1ccc(Cl)c(Cl)c1 13860722 QMICEZITCWWQRG-UHFFFAOYSA-N 373.239 5.111 0 1 FKAF CC1CCN(c2ccc(Nc3nccc(-c4cccs4)n3)cc2)CC1 26653730 CWDHKCVAEQLMJD-UHFFFAOYSA-N 350.491 5.185 0 1 FKAF FC(F)(F)c1cc(Cl)c(-n2cc3c(n2)C(F)(F)CC3)c(Cl)c1 28572531 KLDKXKALYGGCPV-UHFFFAOYSA-N 357.109 5.236 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2[C@H](C)CC1 33825570 MSUHGDQBGRIICK-BBWFWOEESA-N 356.550 7.067 0 1 FKAF Cc1cc(Cl)c(OCC(=O)COc2cc(C)c(C)cc2Cl)cc1C 33827065 YNGZQLJNLCNGOM-UHFFFAOYSA-N 367.272 5.254 0 1 FKAF C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)c1cccc2ccccc12 36476018 FXTOJHSXIAZEKY-NTUVXCKYSA-N 372.512 5.232 0 1 FKAF CCN[C@H]1CCC[C@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)C1 43205515 RDNPSSHSVPTCKN-GJZGRUSLSA-N 366.534 5.303 0 1 FKAF O=C(c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 72178329 JFOQHOOKGZPPQP-UHFFFAOYSA-N 366.247 6.373 0 1 FKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@H]1c1ccccc1Cl 84653310 RUVFWXBRYJFCTA-LJQANCHMSA-N 368.889 5.581 0 1 FKAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H]2C[C@H]1C2(C)C 100932307 PSDQYGKBECOLJX-OSYUHYCWSA-N 362.554 5.593 0 1 FKAF Cc1c(Cl)cccc1Oc1cccn2c(C[C@@H]3C[C@@H]4CC[C@@H]3C4)nnc12 101426894 JQYYWVQHGKKNJP-OAGGEKHMSA-N 367.880 5.462 0 1 FKAF FC(F)(F)c1c(CCCc2ccccc2)n2c3c(cccc13)SCC2 103256058 QIQQQLMUWGWFFL-UHFFFAOYSA-N 361.432 5.941 0 1 FKAF COC1=CC2=N/C1=C/c1ccc([nH]1)CCCC/C=C\CCCc1cccc2c1 169568098 GTTQOLVPKWSQNQ-ANFVYYHFSA-N 372.512 5.994 0 1 FKAF Cc1ccc(Cn2cc3[nH]c4ccccc4c(-c4ccccc4)c-3c2=O)cc1 169716881 KBJCYUWVKBJXMJ-UHFFFAOYSA-N 364.448 5.458 0 1 FKAF COc1cccc(-c2cc(N[C@H]3CCc4ccccc43)nc(C)n2)c1Cl 205832402 QBBKGVWWWJJXMW-KRWDZBQOSA-N 365.864 5.213 0 1 FKAF CC(C)=CCc1cccc2c([C@@H](C=C(C)C)[C@@H]3C=C=C=C=C=C[C@@H]3N)c[nH]c12 238741644 JCVMSAVEYTUMSJ-RSEQLOHWSA-N 368.524 5.860 0 1 FKAF CSc1ccc([C@H]2CN3CCC[C@H]3c3c(Br)cccc32)cc1 261138383 MPPAAPYUXHGYGD-AEFFLSMTSA-N 374.347 5.453 0 1 FKAF Oc1ccccc1C1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CC1 586897006 PDALYULLGBSJJH-UHFFFAOYSA-N 358.466 5.500 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1ccc(Cl)nc1C4)-c1ccccc1C2=O 586992433 FTWZPCKJXRGWJS-UHFFFAOYSA-N 368.823 5.374 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c(C)s2)cc1 587013545 PZCBKOQWSNVHDU-UHFFFAOYSA-N 374.296 6.277 0 1 FKAF CC(C)(C)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029131 IJORAVCZXODLCF-UHFFFAOYSA-N 363.486 5.563 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(F)ccc4[nH]3)c21 587031731 UPVHOKDGRYWQEM-GFCCVEGCSA-N 351.450 5.661 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(C(F)(F)F)cnc2[nH]1 587066104 IFYPGOBNMQQAHI-SECBINFHSA-N 355.747 5.079 0 1 FKAF CCOc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105591 AIUVMWDDAUKKAN-UHFFFAOYSA-N 351.405 5.512 0 1 FKAF COc1cccc(/C=C/c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587107473 TYXUSQAGWHMDFV-OUKQBFOZSA-N 363.416 5.625 0 1 FKAF Oc1nccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587111256 BSWGWJQZAUYNEI-UHFFFAOYSA-N 371.318 5.142 0 1 FKAF COc1cccc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c12 587139542 OGANXYRHYGUKHG-UHFFFAOYSA-N 360.388 5.247 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2c1 587152280 LCNWVDGRPFDXNI-VHSXEESVSA-N 356.269 5.270 0 1 FKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c1 587241676 FZWKQZMNDNYUKG-UHFFFAOYSA-N 364.493 5.297 0 1 FKAF CCCC[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587356645 QWCFDCJLTKJTKC-HNKPZJSLSA-N 368.448 5.619 0 1 FKAF COc1cccc(-c2cc(-c3ncccc3F)nc3c2oc2ccccc23)c1 587361073 VTBUYAWCQNBDMZ-UHFFFAOYSA-N 370.383 5.858 0 1 FKAF COc1cccc(-c2cc(-c3cncnc3)nc3c2oc2ccccc23)c1 587363618 RLIOQPWHBBBBGD-UHFFFAOYSA-N 353.381 5.114 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(C(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O 587441009 DNAVDGFGQMSWGN-CPJSRVTESA-N 370.448 5.033 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1C[C@@H]1c1ccccc1Cl)CC2=O 587463783 ZTTFGEFDMIWTIQ-JLHGSKIFSA-N 370.876 5.526 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(C(C)C)cc1)CC2=O 587489284 OHXOWSYVAXPQSU-QHCPKHFHSA-N 352.474 5.435 0 1 FKAF O=C1C[C@]2(CCCOc3c(Cl)cccc32)Oc2c1ccc1c2CCCC1 587497770 GPHASZMXIVGUDL-QFIPXVFZSA-N 368.860 5.252 0 1 FKAF CCCOc1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587520507 DIEOCFLXFZAOEC-JOCHJYFZSA-N 364.485 5.678 0 1 FKAF COc1ccc([C@@]2(C(C)(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525590 QPCWGOVTNOAWNY-XMMPIXPASA-N 364.485 5.481 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2Cl)N1 587723301 WQGKCGVLEUAJOI-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF Cc1c(F)ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587783527 BWRNCUVSHJHSOX-ZROIWOOFSA-N 358.416 5.760 0 1 FKAF CCc1cc(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587819703 MPLKDMFMEXZNJK-BUXKBTBVSA-N 362.286 5.083 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(CCc3c2ccc(Cl)c3Cl)N1 962959856 QYVBZEYEUYNLGZ-LAJNKCICSA-N 371.311 5.589 0 1 FKAF CCC(C)(C)[C@]1(c2ccc(F)cc2Cl)NCCc2c1sc(C)c2C 963021556 JSCQNACLAHWWFH-HXUWFJFHSA-N 365.945 5.983 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2C12CCC(OCc1ccccc1)CC2 963227540 JLWHALKGBUKXAA-LQRWPSFBSA-N 363.545 5.698 0 1 FKAF Fc1cccc(F)c1-c1c(Cl)nc(Cl)n1-c1ccccc1Cl 1772601229 MPNZCOREBQELHC-UHFFFAOYSA-N 359.590 5.778 0 1 FKAF CC=C(c1ccccc1OCc1ccc(Cl)c(Cl)c1)n1ccnc1 1857535581 RDBSEWJOKKJDSV-UHFFFAOYSA-N 359.256 5.678 0 1 FKAF O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)[C@H]1CCCC2(CC2)C1 1857649912 FPSRQAMOGQAEDV-JTQLQIEISA-N 354.397 5.224 0 1 FKAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cnc(NN)s1 1857748954 UFLIKFYLXKMWGD-UHFFFAOYSA-N 364.499 5.195 0 1 FKAF CCCC[C@@H]1Cc2cc(OC)ccc2-c2c(C=O)c3cc(OC)ccc3n21 13606363 IZQSEKJZYJBIBS-MRXNPFEDSA-N 363.457 5.425 0 1 FKAF CCCCCN1CC[C@@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3ccccc3c12 13741146 XPCLUWISULHCPB-DFBJGRDBSA-N 374.528 5.370 0 1 FKAF C/C(=C\Cc1c(O)cc(C)c(C=O)c1O)CC[C@]1(C)[C@H](C)C(=O)CC[C@H]1C 14856828 JSPPDMSCDGJJOM-UDWNXSLMSA-N 372.505 5.129 0 1 FKAF CC(C)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 26573241 CPLKJAOVKQRYLU-UHFFFAOYSA-N 357.432 6.068 0 1 FKAF CCc1cccc(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 36176967 BNFKHGHCITYDOT-UHFFFAOYSA-N 371.444 5.019 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CC[C@@H](C)C(=O)NCCO 38146665 POPPPMLPRVFFPI-VUXFYNJCSA-N 361.570 5.487 0 1 FKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(OCc3ccccc3)cc21 144775946 YKJPJDDFSVOLDE-HXUWFJFHSA-N 356.343 5.044 0 1 FKAF CC[C@@H]1CCC[C@]23CCN(CC4CCC4)[C@@H](Cc4ccc(OC)cc42)[C@H]13 195038384 KAOWEHFUQIEFQN-JMBSJVKXSA-N 353.550 5.190 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 586897978 CNGATWXSZJXDDS-UHFFFAOYSA-N 370.330 5.501 0 1 FKAF CCc1oc2ccccc2c1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 586903474 KFNQGQNUYZMHTI-UHFFFAOYSA-N 368.436 6.118 0 1 FKAF O=C1O/C(=C/c2nc3ccc(Oc4ccccc4)cc3[nH]2)c2ccccc21 586905798 CJHXVSCIFOMVFL-DEDYPNTBSA-N 354.365 5.024 0 1 FKAF CCC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353311 OPSZZYIRBVVVCV-HXYQTYRISA-N 354.421 5.229 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccn2CC3)c1 587363843 PCLVPNJVBRIDJJ-UHFFFAOYSA-N 366.420 5.681 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H]3CC(C)C)c1 587365136 FFANPYMWDJILFP-KRWDZBQOSA-N 371.480 6.733 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](OC)C3)c1 587366093 RGZDOPRXCKBGAM-MRXNPFEDSA-N 359.425 5.160 0 1 FKAF CCCC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 587466117 ITUDAHQNCQZRFU-JOCHJYFZSA-N 356.437 5.535 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cn(CC)c3ccccc13)CC2=O 587479116 YQSSZKXYIBSCJF-QHCPKHFHSA-N 363.457 5.200 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(OCC)cc1)CC2=O 587480097 NDNHJQGKIIPHLX-JOCHJYFZSA-N 354.446 5.014 0 1 FKAF Cc1[nH]c2ccc(Cl)cc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500369 OGRRYKOMAXYISM-HXUWFJFHSA-N 365.860 5.715 0 1 FKAF CCc1nc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2o1 587522241 DHYRMZYBMUJNFJ-HSZRJFAPSA-N 361.441 5.150 0 1 FKAF COc1ccc2[nH]c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)c2c1 587525746 PDPCJHLHDHROCO-OAQYLSRUSA-N 361.441 5.070 0 1 FKAF O=C1C[C@H](c2cc(-c3ccccc3)cs2)Oc2c1ccc1c2CCCC1 587530589 FWRTYMIIRMHGTE-OAQYLSRUSA-N 360.478 6.000 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2Cl)N1 587728432 SCFQHCAZJHVXHR-ZKANADHPSA-N 372.640 5.004 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2C2CC2)N1 587819055 KRMFOFLRECLEON-WYRIXSBYSA-N 360.270 5.089 0 1 FKAF Cc1ccc2ncccc2c1[C@@H]1c2ccsc2CCN1Cc1ccco1 962706204 LKADJFXLYLBRGD-QFIPXVFZSA-N 360.482 5.345 0 1 FKAF Cc1ccc([C@@]2(C(F)(F)F)c3ccc(F)cc3C[C@H]3CCCN32)cc1C 963102675 NECUJXNRDSOTLC-QUCCMNQESA-N 363.398 5.269 0 1 FKAF Clc1cc(Cl)c2c(c1)[C@@H](c1cc(Cl)sc1Cl)NCC2 963120531 JHFMIKMXLPXSNF-LBPRGKRZSA-N 353.101 5.597 0 1 FKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc(O)oc12 1857548585 LQIJEZPZTNFSMI-YVUMSICPSA-N 355.478 5.580 0 1 FKAF Cc1ccc(C(=O)O)cc1NCc1ccc(OCc2ccc(F)cc2)cc1 1857604484 NJWJLUIYVUZLRR-UHFFFAOYSA-N 365.404 5.023 0 1 FKAF COc1ccc(CNc2ccc(Cl)cc2)cc1-c1cccc(Cl)c1 1857609017 VTFCEJJGCZIBSG-UHFFFAOYSA-N 358.268 6.281 0 1 FKAF COc1ccc2c(c1)SCc1cnc(Nc3cccc(Cl)c3)nc1-2 1857767753 JPQNKBYYKVCKCO-UHFFFAOYSA-N 355.850 5.155 0 1 FKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](C)C(C)(C)C 2382259874 SZIKLZQOULICIS-WMKMHZEVSA-N 363.630 7.351 0 1 FKAF Cc1cccc(-c2nc3c(Nc4cccc(C(F)(F)F)c4)nccc3[nH]2)c1 205206508 NNMJUQTVJYZZLQ-UHFFFAOYSA-N 368.362 5.696 0 3 FKAF CN(C)C[C@@H]1C[C@@H]2c3ccccc3Cc3ccc(-c4ccccc4)cc3N2O1 13437223 RUWZQSJWDUNAEU-WIOPSUGQSA-N 370.496 5.071 0 1 FKAF O=C(O)c1ccccc1NCc1ccc(Oc2ccc3ccccc3c2)cc1 27408350 LJMBTXATZHNAFX-UHFFFAOYSA-N 369.420 5.942 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCOCC2)C(C)(C)CCC1 35996520 XHPKRVYZMVFULC-SFZCRTJJSA-N 369.549 5.377 0 1 FKAF Cc1cccc(Cl)c1Nc1nc2ccccc2n2c(CC(C)C)cnc12 40836605 CLULLEVIXSTIND-UHFFFAOYSA-N 364.880 5.786 0 1 FKAF Cc1cccc2[nH]c(-c3ccc(-c4ccc(CNCC(C)C)cc4)cc3)nc12 45201322 ATGPWJDPLMQUGE-UHFFFAOYSA-N 369.512 5.951 0 1 FKAF Cc1ccc(Sc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1 64540301 ADCIMTWTMXLMQC-UHFFFAOYSA-N 366.326 5.458 0 1 FKAF FC(F)(F)c1cc(NCc2nc3ccccc3[nH]2)cc(C(F)(F)F)c1 96922183 VMAVKZJVSNFDTR-UHFFFAOYSA-N 359.273 5.213 0 1 FKAF O=C(/C=C\CCCCCC/C=C\c1ccc2c(c1)OCO2)N1CCCCC1 214846359 CHOLQJRIMZGPNC-JMVBYTIWSA-N 369.505 5.338 0 1 FKAF Clc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Cl 587048238 GNAQAYWQTBANMU-HTQZYQBOSA-N 372.082 6.448 0 1 FKAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587059052 MFNDCFIOQCFKKF-SFHVURJKSA-N 363.848 5.251 0 1 FKAF FC(F)(F)c1cccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 587068802 ZCNRBRLPXRJWQH-UHFFFAOYSA-N 362.742 5.292 0 1 FKAF Cc1cc(C)c2nc(-c3noc(C)c3COc3ccc(Cl)cc3)[nH]c2c1 587075280 FQEQHMYEWNHTQD-UHFFFAOYSA-N 367.836 5.376 0 1 FKAF Cc1c(-c2nc3cc(Cl)c(F)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075959 PCTPEIPNWHIGQY-UHFFFAOYSA-N 361.207 5.170 0 1 FKAF Cc1c(-c2ccccc2Cl)nc2cccc3c2c1-c1ccccc1C3=O 587104722 WOQXRMKOVYJWPT-UHFFFAOYSA-N 355.824 6.075 0 1 FKAF Fc1cc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2cc1Cl 587124274 KMYSBHCJQKSAJY-UTCJRWHESA-N 372.774 6.138 0 1 FKAF CC[C@]1(c2c(Cl)cccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587375317 LBJRLJMKNWQHKC-GOSISDBHSA-N 350.245 5.155 0 1 FKAF CC[C@@]1(CSc2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 587409585 MRTWSMREOBYVSU-IBGZPJMESA-N 361.894 5.137 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)c(Cl)cc1F)CC2=O 587465753 KELZTVKDGSPQFJ-LJQANCHMSA-N 366.791 5.157 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccccc3)o1)CC2=O 587479808 JIWZQRBJNZJWEC-HSZRJFAPSA-N 362.425 5.485 0 1 FKAF Nc1ccccc1[C@]1(C2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587511804 RXJMLMPGRAILSF-XMMPIXPASA-N 361.485 5.199 0 1 FKAF CCOc1ccc2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520934 BUZOELFACXKHED-HSZRJFAPSA-N 372.464 5.824 0 1 FKAF CC[C@@H](C)c1ccc([C@@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522564 IYKXVPZWXAQYEO-CRICUBBOSA-N 362.513 6.350 0 1 FKAF CC(C)(C)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587533962 SXNBWTLJSFHGPJ-FQEVSTJZSA-N 350.458 5.275 0 1 FKAF Cc1c(-c2ccc(Cl)c(Br)c2)[nH]c2cc(Cl)c(F)cc12 587627695 IPKWVXAYBHGESO-UHFFFAOYSA-N 373.052 6.352 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)c3ccc(Br)cc3)c2c1 587638731 JGORXUWEPWDQJF-LBPRGKRZSA-N 370.290 5.983 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3cnn(CC)c3C)c2c1 587642718 PTQLPXLSKKPGGJ-NSHDSACASA-N 359.420 5.375 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Cl)c2)N1 587698252 IXQLYMHJJPBLOG-BMLIUANNSA-N 368.677 5.039 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](C)c2ccccc2)N1 587810994 FKEBCWYZQVHWAS-VLXJIEOASA-N 362.286 5.141 0 1 FKAF Cc1cccc2c1[C@H](C)C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587816613 BHDQGKONUHSNLM-IZDJOXEWSA-N 374.297 5.182 0 1 FKAF CC[C@@H]1CCC[C@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C1 587823746 RGPGLNKOPQPNPW-QDTBLXIISA-N 354.307 5.380 0 1 FKAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c2)c1 587933625 TUSDRCXDHSPSOL-UHFFFAOYSA-N 372.468 5.909 0 1 FKAF COc1cncc(-c2cc(Nc3ccc(Oc4ccccc4)cc3)ncn2)c1 1857601203 FDQRMBTZHNPSPQ-UHFFFAOYSA-N 370.412 5.083 0 1 FKAF COc1ccc2c(c1)C=C1CCCCC3=Cc4cc(OC)ccc4OC13O2 1911585393 JWVJFDABCJYTPG-UHFFFAOYSA-N 362.425 5.226 0 1 FKAF FC(F)(F)c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1 2178320297 YFVUFZJKHUXDTE-UHFFFAOYSA-N 356.265 6.651 0 1 FKAF C=CC(C)=CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]2OC(C)(C)O[C@H]2[C@@]1(C)O 2356684540 UKAWDTYXZVAWRD-FAALNCNKSA-N 362.554 5.242 0 1 FKAF COc1ccc2oc([C@@H](c3ccccc3)c3[nH]c4ccccc4c3C)cc2c1 2382255951 PAPVUHNBMXTFLM-XMMPIXPASA-N 367.448 6.411 0 1 FKAF O[C@@](c1ccccc1)(c1nc(-c2ccc(Cl)cc2)cs1)C(F)(F)F 61930819 XRSSWDIQHUNZKS-INIZCTEOSA-N 369.795 5.262 0 3 FKAF Cc1cc2c(c(O)c1C(=O)O)C[C@@H]1[C@](C)(CC[C@@H]3C(C)(C)CCC[C@@]13C)O2 2004550 NGQPPHRBPAZXBM-RZRCNZQPSA-N 372.505 5.335 0 1 FKAF biogenic c1ccc(-c2nc(SC[C@H]3CCCCO3)[nH]c2-c2ccccc2)cc1 3801249 DPAOUJHABZIQSZ-GOSISDBHSA-N 350.487 5.405 0 1 FKAF c1ccc2cc(COc3ccc4c(c3)[C@H](c3nccs3)CC4)ccc2c1 13733412 SVXSUNCGECYUEH-OAQYLSRUSA-N 357.478 5.953 0 1 FKAF Cc1ccc(/C=C/C2=C[C@]3(C)C[C@@]2(C)[C@@H](c2ccc(C)cc2)CC3=O)cc1 13783092 VNDABGLWEBDVEO-YZEDYCNHSA-N 356.509 6.416 0 1 FKAF CCN(CC)CCC[C@@H](C)Nc1ccnc2ccc(C(F)(F)F)cc12 28132214 ZVXOVWGOGZJMNM-CQSZACIVSA-N 353.432 5.176 0 1 FKAF COc1ccc2[nH]c(-c3ccc(-c4c[nH]c5ccc(OC)cc45)s3)cc2c1 28884993 DNDKUTYTOQVLFB-UHFFFAOYSA-N 374.465 6.062 0 1 FKAF CC(=O)c1ccc(Nc2c3ccccc3nc3c2c(C(C)C)nn3C)cc1 29037862 OAHFERNWKYAAOH-UHFFFAOYSA-N 358.445 5.191 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cncc1Cl 45374991 JZEKBJTTZQWMAX-CVEARBPZSA-N 373.349 5.998 0 1 FKAF Cc1ccc(Nc2cnc(-c3cccc(Cl)c3)c(C)c2)c(C(=O)O)c1 59022664 MFOQTMYYVDBCFB-UHFFFAOYSA-N 352.821 5.461 0 1 FKAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N2CCCCC2)C(C)(C)CCC1 72107287 OEDUHIFYGOKQTJ-COIZJCGZSA-N 367.577 6.531 0 1 FKAF Cc1ccc2cc([C@@H]3CC(c4sccc4Cl)=NN3)c(Cl)nc2c1 103212267 YXLWPRMAXINOTF-AWEZNQCLSA-N 362.285 5.350 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccncc2)C[C@@H](c2ccccc2)C1 103915673 MEUMSALDYVXAIJ-KOSHJBKYSA-N 367.452 5.711 0 1 FKAF Oc1ccc(Cl)cc1Nc1ccc(Br)c(C(F)(F)F)c1 224742550 CEBVEAJCHMYEPV-UHFFFAOYSA-N 366.564 5.571 0 1 FKAF C[C@@H]1[C@@H](NCc2coc(-c3ccccc3Br)n2)CCC[C@H]1C 299810734 YTDJPRCFNNVFHH-IGCXYCKISA-N 363.299 5.018 0 1 FKAF OCCCCCCCCCCCc1nc2c(Cl)c(Cl)cnc2[nH]1 586894357 APVGQAKEZKTABN-UHFFFAOYSA-N 358.313 5.310 0 1 FKAF Cc1c(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905532 SKBJNULBYAVMBU-LJQANCHMSA-N 374.440 5.080 0 1 FKAF CC(C)[C@@H]1CCc2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O 586991670 VJCXQCILRHVXFV-AWEZNQCLSA-N 357.453 5.303 0 1 FKAF Cc1nc(Cl)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586992118 DDPZXFABVGEUOK-UHFFFAOYSA-N 370.839 5.778 0 1 FKAF COc1cccc(-c2ccc(-c3nc4cccc(O)c4[nH]3)c(Cl)c2)c1 587052602 XTHYXWDHTVWHQD-UHFFFAOYSA-N 350.805 5.265 0 1 FKAF Cc1cccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587072073 TUWBGUNUIYEXCJ-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF CC[C@H](C)[C@@H]1CC(=O)Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587101871 WWOWAGGOGUCEGZ-DJJJIMSYSA-N 369.464 5.400 0 1 FKAF Fc1c(F)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c(F)c1S 587133741 BCLIAKMCLALKGS-UHFFFAOYSA-N 367.154 5.382 0 1 FKAF CCC(C)(C)[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587208187 RAUBWTLCJWRKHZ-OAHLLOKOSA-N 355.481 5.987 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2cnc3ccccc3c2[nH]1 587241010 UYQCSYUYEKTHLU-UHFFFAOYSA-N 366.424 5.530 0 1 FKAF CC(C)C[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355522 VGLVTDQUNVZKJN-XFEAKLGESA-N 368.448 5.475 0 1 FKAF CCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[C@H](C)CC 587400103 NFGTXIYYNVOIOQ-QRQCRPRQSA-N 367.489 5.586 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1ccc(C)c(C)c1)O2 587404232 VKDUASWMBAUSPQ-VWLOTQADSA-N 371.480 5.297 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1c1ccc(F)cc1)CC2=O 587471642 LSWKJPJGWNJJTC-PGRDOPGGSA-N 354.421 5.156 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H](C1CCCC1)C2 587605018 WSXKYVZULXEMHE-ITSWEJNFSA-N 364.441 5.083 0 1 FKAF CC[C@H](C)c1ccc(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)cc1 587626937 KOLBQFNSGWDXIN-LBPRGKRZSA-N 354.881 6.204 0 1 FKAF Cc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587704808 VUBIXAXGVBHISN-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF CC(C)Oc1ccc(OC(C)C)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587943521 GTSVURFFRMIZMB-UHFFFAOYSA-N 371.427 5.997 0 1 FKAF COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1C=O 1772580488 LBHSZMDJAJVFFE-UHFFFAOYSA-N 362.425 5.071 0 1 FKAF CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)NC1CCCC1 1857765030 WNBLTGRWTVJCPS-UHFFFAOYSA-N 353.466 5.236 0 1 FKAF CC1=CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@@H](OC(=O)C=Cc3ccccc3)[C@H]12 2356570605 PJJFRVBMYOIECO-BMRYZAIJSA-N 368.517 5.011 0 1 FKAF O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C2CCC2)CC1 11772522 XIMOTQULAZLLBI-UHFFFAOYSA-N 368.908 5.210 0 3 FKAF COc1cccc2c(N(C)c3ccccc3)nc(N(C)c3ccccc3)nc12 13742288 KASCIINVXOKSMA-UHFFFAOYSA-N 370.456 5.174 0 1 FKAF c1ccc(-c2cccc(CN3CCN(c4cccc5ccoc45)CC3)c2)cc1 26401658 KVZSNZYKLPCLCR-UHFFFAOYSA-N 368.480 5.422 0 1 FKAF CCOC[C@@H](Cc1ccc(F)cc1)Nc1nc2cc(C(C)C)ccc2o1 28005859 ROZMFFTUCCNEFB-GOSISDBHSA-N 356.441 5.150 0 1 FKAF Fc1ccc(-c2nccc(Sc3ccc(Cl)c(Cl)c3)n2)nc1 38156548 WIVNCNFPFSEZJX-UHFFFAOYSA-N 352.221 5.136 0 1 FKAF CCC/C=C(\CCC)[C@H](NC(=O)c1ccco1)c1ccc(C(=O)OC)cc1 38179200 VCRLEIBLXCVAPW-ZYEUVFMNSA-N 369.461 5.064 0 1 FKAF COCc1ccc(Nc2ncc(Cc3c(Cl)cccc3Cl)o2)cc1 49073137 HRJNUCBPFXJTJU-UHFFFAOYSA-N 363.244 5.462 0 1 FKAF Cn1c(C(F)(F)F)nc2ccc(Oc3cccc(Cl)c3Cl)cc21 53230421 KXHZVFGSDNOWES-UHFFFAOYSA-N 361.150 5.691 0 1 FKAF COC(=O)CC[C@]12C3=CCC[C@@H]3CC[C@@H]3C=N[C@@H]1[C@@H](C(C)C)CC[C@@]32C 101977522 CPDMKDOXBXJZGN-QNWULWIJSA-N 357.538 5.198 0 1 FKAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3[nH]nc(-c4ccccc4)c32)cc1 103535972 MVYVVUYJMWJEKW-IBGZPJMESA-N 371.440 5.299 0 1 FKAF Cc1cccc(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)c1Cl 221078652 DZFREUGVFUDNIJ-MRXNPFEDSA-N 357.862 5.379 0 1 FKAF C1=Nc2ccccc2OCCCOc2ccccc2N=Cc2ccccc21 253673106 COFXJALIKPUDAR-UHFFFAOYSA-N 356.425 5.349 0 1 FKAF Clc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1 473111409 AYJWEYGACPJTGR-UHFFFAOYSA-N 370.843 5.736 0 1 FKAF CCCCC1CCC(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CC1 586884944 SHKOHGISBPKWGY-UHFFFAOYSA-N 362.517 6.606 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4nc(C)c(Br)cc4[nH]3)cc2)o1 586902500 FNQQGSIDKDCUNH-UHFFFAOYSA-N 368.234 5.264 0 1 FKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 586918379 XSJOMXVAWNKDSS-UZUQRXQVSA-N 362.473 5.077 0 1 FKAF Fc1c(Cl)cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1F 587050034 OCVGGBSRUQSZGN-NKWVEPMBSA-N 373.617 6.072 0 1 FKAF Fc1cnc(Cl)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc12 587051929 VIDXWOFJFCTZQF-RNFRBKRXSA-N 356.615 5.328 0 1 FKAF Nc1c(F)c(F)cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1F 587137325 ZPQZPQIFIWXEPA-UHFFFAOYSA-N 355.319 5.022 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCCCCCC3)c1 587365200 FPKWJWXZPSRMGE-UHFFFAOYSA-N 371.480 6.706 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C)C[C@H](C)C3)c1 587367829 XLEFYQXAJRAGMS-LSDHHAIUSA-N 357.453 6.342 0 1 FKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(F)cc1)(C(C)C)CC2=O 587469207 XZTCNEBUUIRMKK-QFIPXVFZSA-N 356.437 5.087 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccsc3)n1)CC2=O 587495083 NFACUBVCSVCOJH-FQEVSTJZSA-N 365.454 5.175 0 1 FKAF COc1ccc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587522810 HUYDMFLAJKCIMM-RUZDIDTESA-N 372.464 5.608 0 1 FKAF CC(C)=CCC/C(C)=C\CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526527 VNDVSQGBFXNWMT-NDCWXWKDSA-N 366.545 6.762 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3F)c(C(F)(F)F)c2c1 587641632 NUFRRIPLCLMWKJ-SNVBAGLBSA-N 353.334 6.645 0 1 FKAF Cc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587814107 FXFLUZGQLFFRRL-HXPMCKFVSA-N 362.286 5.003 0 1 FKAF COc1cccc(C(=O)c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)c1 587933258 WSDCQQQILGHWMR-UHFFFAOYSA-N 356.425 5.086 0 1 FKAF Cc1cccc(C)c1[C@@]1(CCc2ccccc2)NCCc2ccc(F)c(C)c21 962146421 OAKYQZFLNDUYEE-AREMUKBSSA-N 373.515 5.773 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2OC)(C2CCCC2)N1 962942567 FWLOVRDAGHKZHS-AVRWGWEMSA-N 374.528 5.535 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(CCSc2ccccc2)N1 962950634 RXUQCXTZNSUWHH-ZHRRBRCNSA-N 350.531 5.490 0 1 FKAF CC(C)N(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1cccc2cc[nH]c12 1772607952 UODPQZBVVMZWMJ-SNAWJCMRSA-N 372.434 6.111 0 1 FKAF Cc1ccc(Nc2nc(-c3ccccc3)nc3sc4c(c23)CCCC4)cc1 1772647025 OWRZPOAESCCSTD-UHFFFAOYSA-N 371.509 6.289 0 1 FKAF Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3cc(Cl)ccc3n2)cc1 2382251193 UGNFBAYUYNMVFS-UHFFFAOYSA-N 373.843 5.511 0 1 FKAF Brc1ccc2nc(-c3ccccc3)c(Cc3ccccc3)n2c1 72137868 XILFQYKBLVHIKY-UHFFFAOYSA-N 363.258 5.355 0 3 FKAF COc1ccc(/C=C/[C@H](Cc2cccc(C(C)=O)c2)c2ccc(C)cc2)cc1 203471934 XPAIVNVLUJDROE-FFODHNNBSA-N 370.492 6.246 0 3 FKAF C[C@@H](Cc1cccc(OCc2ccc3ccccc3n2)c1)C[C@@H](C)C(=O)O 13917915 JVBGKXGXUZCESP-IAGOWNOFSA-N 363.457 5.103 0 1 FKAF O[C@@H]1CCCc2nc3ccccc3c(NCc3cccc(C(F)(F)F)c3)c21 14946513 BCLCATIAJDFAPY-GOSISDBHSA-N 372.390 5.235 0 1 FKAF COC(=O)/C=C(C)/C=C/C(F)=C(C)/C=C/c1c(C)cc(OC)c(C)c1C 27851241 WAGPMOVHOFWZBB-CIMLEUKYSA-N 358.453 5.553 0 1 FKAF COc1cc2nc(-c3cccs3)c(-c3cccs3)nc2cc1OC 28472540 QECWNBHGOWRVDA-UHFFFAOYSA-N 354.456 5.104 0 1 FKAF COc1ccc(-c2cc(C)c3c(c2Cl)[C@H](C)CC(C)(C)N3)c2[nH]ccc12 29043483 NZGNOGXYEWYRJB-CYBMUJFWSA-N 368.908 6.503 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cncc1Cl 45374995 JZEKBJTTZQWMAX-JKSUJKDBSA-N 373.349 5.998 0 1 FKAF Cc1nc2c(C)cccc2c(Nc2ccc(N3CCN(C)[C@H](C)C3)cc2)c1C 52961981 ONMSNZLMBSAGLW-QGZVFWFLSA-N 374.532 5.044 0 1 FKAF COc1cc(O)cc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 66252445 OJUPXBANMHPKAX-CMDGGOBGSA-N 354.490 5.872 0 1 FKAF CCc1ccc(C(=O)NC(CC)(CC)C(=O)c2cc(C)cc(C)c2)cc1 103183416 NOPSQZLYKMXQNR-UHFFFAOYSA-N 351.490 5.037 0 1 FKAF CC(C)CCCCCCCCCCC(=O)N1CCC[C@H]1c1cccnc1 196210573 LCCYAZMUOOTPDR-QFIPXVFZSA-N 358.570 6.302 0 1 FKAF CCC/C=C(\C)CSC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253638121 OISADBQASBHBLJ-AJXIRXIBSA-N 366.567 5.461 0 1 FKAF O[C@@H](c1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299863315 KXUHEQWGJVXJTG-IPABLOIBSA-N 369.508 5.784 0 1 FKAF Cc1ccc2c(ccc3nc(CCCCCCCCCCCO)[nH]c32)n1 586894750 SWULENGGTITHRB-UHFFFAOYSA-N 353.510 5.465 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3cccc(Br)c3[nH]2)cc1 586899447 XGFJHHJSACYFSP-UHFFFAOYSA-N 365.230 5.365 0 1 FKAF C[C@H]1CCc2sc(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)cc2C1 587033190 GWFANOPUXKFHNH-QMMMGPOBSA-N 370.827 6.088 0 1 FKAF Clc1ccc(C2(c3nc4cc(Cl)nc(Cl)c4[nH]3)CCC2)cc1 587075323 HQACARDXFBKXGV-UHFFFAOYSA-N 352.652 5.388 0 1 FKAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587164343 STMLFMXEOUOAPK-OAHLLOKOSA-N 371.765 5.025 0 1 FKAF Cc1cc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2cc1C 587247781 TXPAFCHOCJKHLI-UHFFFAOYSA-N 357.457 5.594 0 1 FKAF CC[C@@H](c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587402905 IYPJJBXUCOGODS-SQJMNOBHSA-N 371.480 5.632 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Sc1ccccc1)O2 587410045 KNHIMTHTEIORJE-HXUWFJFHSA-N 361.466 5.435 0 1 FKAF O=C1C[C@H](c2ccc(-c3cccnc3)cc2)Oc2c1ccc1c2CCCC1 587514181 HFOKXQAPZNVLAV-HSZRJFAPSA-N 355.437 5.334 0 1 FKAF O=C1C[C@](c2ccccn2)(C2CCCCC2)Oc2c1ccc1c2CCCC1 587516585 YJKBHNGUUWOIGU-XMMPIXPASA-N 361.485 5.401 0 1 FKAF O=C1C[C@@]2(CCCC[C@@H](c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587526200 RRMXNTNRJAPQKU-NLFFAJNJSA-N 360.497 6.017 0 1 FKAF O=C1C[C@](c2ccccc2)(c2cccc(O)c2)Oc2c1ccc1c2CCCC1 587533315 PHXICMIWQQGYNB-VWLOTQADSA-N 370.448 5.180 0 1 FKAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3cc(Cl)c(F)cc23)cc1C 587629316 KDPGWCGFSFIHCU-UHFFFAOYSA-N 351.755 5.746 0 1 FKAF Oc1ccccc1-c1cc(-c2cccs2)cc(-c2cccc(Cl)c2)n1 653721768 RKMOCXFDKSHSCR-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF COc1ccc2c(c1OC)[C@](C)(CC(C)(C)C1CCCCC1)N(C)[C@H](C)C2 962615907 AOGYAXGBOKZCFS-OSPHWJPCSA-N 373.581 5.792 0 1 FKAF Fc1ccc(CN2CCC(F)(F)[C@@H](CCc3ccccc3)C2)c(Cl)c1 1772643972 QZQHGHZZPFFAFY-KRWDZBQOSA-N 367.842 5.569 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3O)nc3c2oc2cc(O)ccc23)c1 1857647176 GECMRKPYJQYYII-UHFFFAOYSA-N 369.376 5.432 0 1 FKAF CC[P@](=O)(OC)c1ccc2nc(-c3cccc(Cl)c3Cl)oc2c1 1911576890 YYFBHUWZZCHPQP-QHCPKHFHSA-N 370.172 5.371 0 1 FKAF CCC=C1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356472238 PCFLWNUQAQQXOU-WQCLFZALSA-N 358.566 6.297 0 1 FKAF CC1(C)OC[C@H]([C@]2(C)CC[C@]3(C)[C@H](CC=C4[C@@H]3CCC[C@]4(C)CO)C2)O1 2356745242 NHRGVCNVNSXKEO-BUKYVQLSSA-N 362.554 5.079 0 1 FKAF CC(=C/CN1CCOCC1)/C=C/C=C(C)/C=C/[C@H]1[C@H](C)CCCC1(C)C 25986195 JGEUGBGGYLQOTH-VIAYYNNESA-N 357.582 5.786 0 1 FKAF CSc1ccc([C@@H]2CN3CCC[C@@H]3c3c(Br)cccc32)cc1 26672947 MPPAAPYUXHGYGD-FUHWJXTLSA-N 374.347 5.453 0 1 FKAF Cc1c(OCCCCSc2ccccn2)ccc(C(=O)CC(C)C)c1O 28361224 XFBJZQIVKIQSON-UHFFFAOYSA-N 373.518 5.276 0 1 FKAF CCc1c(-c2ccc(O)cc2)nc(-c2ccccc2)n1-c1ccc(O)cc1 33982942 GMQYHNIONYVFCX-UHFFFAOYSA-N 356.425 5.180 0 1 FKAF CNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12 84634549 IXPYOFCXANNZML-UHFFFAOYSA-N 367.861 5.206 0 1 FKAF Cc1cc(C2=C(c3ccc(Cl)c(Cl)c3)C[C@H]3CC[C@H]2S3)on1 101389023 UCZOFGRNAPWDMW-BDJLRTHQSA-N 352.286 5.869 0 1 FKAF CSc1nnc(Cc2ccc(Cl)cc2Oc2ccccc2Cl)[nH]1 103263267 YGLYEKHIIZVGJS-UHFFFAOYSA-N 366.273 5.217 0 1 FKAF CN[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 141011907 NJOZMXPYSSAWEY-WBJZGETLSA-N 364.577 5.706 0 1 FKAF CC(C)N(CC[C@@H](O)c1ccc2ccccc2c1)Cc1cc(F)cc(F)c1 200626897 ZVTPWGRFMFEXGM-HSZRJFAPSA-N 369.455 5.452 0 1 FKAF C[C@H](CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)OC=O)CC(=O)O 504693149 RJTQRENDRIOHRF-JPDLMGPVSA-N 352.515 5.052 0 1 FKAF biogenic CCCC[C@H]1CC[C@H](c2ccc(-c3nc4nccc(Cl)c4[nH]3)cc2)CC1 586880030 KIJKXUSGTDFKRB-WKILWMFISA-N 367.924 6.742 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3ccc(F)c(Br)c3[nH]2)c1F 587152240 KWYLSEPMEZPDGX-RKDXNWHRSA-N 367.168 5.014 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587161922 TUXUADKZKBGMQI-UXHICEINSA-N 358.416 5.552 0 1 FKAF Fc1ccc(/C=C(\c2nc3cc(Cl)cnc3[nH]2)c2cccs2)cc1 587163464 JETVIALYLMCUMS-ZSOIEALJSA-N 355.825 5.401 0 1 FKAF CCc1c(-c2ccc(Br)c(C)c2)nc2cccc3c2c1CC3 587207479 FNIPGWQMIMDHIS-UHFFFAOYSA-N 352.275 5.634 0 1 FKAF CCOC1=Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587363047 PAFHQOJTSOIVBA-UHFFFAOYSA-N 357.409 5.590 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(Cl)c3)cc1)O2 587376434 CLOJVQSWTRYZPH-OAQYLSRUSA-N 363.844 5.604 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccc(Cl)cc3)c1)O2 587379271 HCYQCFSXSRGTTI-NRFANRHFSA-N 363.844 5.604 0 1 FKAF CC(C)=CCC/C(C)=C\C[C@@]1(C2CCC2)CC(=O)c2cc(C)cc(N)c2O1 587405313 KKRFVZJQUNZQRF-AOAINSGISA-N 367.533 6.164 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(SC3CCCCC3)o1)O2 587409712 JEGWTKYPTWCQQD-SFHVURJKSA-N 357.475 5.302 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2ccc(F)cc21 587470088 CVNUVGLUTCATRM-XMMPIXPASA-N 374.411 5.373 0 1 FKAF Cc1cc([C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1F 587507752 SCZVOHBHRLIEMB-QHCPKHFHSA-N 350.433 5.284 0 1 FKAF CC(C)c1nn(C(C)(C)C)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516970 YLRIESVSZSBOQU-FQEVSTJZSA-N 366.505 5.347 0 1 FKAF CC[C@]1(CCCC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598586 BRBJVWBVOLESJY-SIKLNZKXSA-N 354.446 5.329 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]1CCCC[C@@H]12 587601676 FIMPKSFVDKCJSB-MJISLDTMSA-N 364.441 5.083 0 1 FKAF Cc1ccccc1-c1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O 587925370 GORVMDNUJMMAEH-UHFFFAOYSA-N 357.409 5.237 0 1 FKAF COc1ccc(/C=C/Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c(OC)c1 587929012 JQCMHNZNKBCPMN-ONEGZZNKSA-N 363.244 5.143 0 1 FKAF COc1c(C)[nH]c2c(c1=O)[C@@H](CCCCCc1ccccc1)CC[C@H]2OC 653850059 HDTZPKLRJBGXSO-RBUKOAKNSA-N 369.505 5.060 0 1 FKAF Cc1oc2ccccc2c1[C@H]1NC2(CC2)Cc2ccc(Br)cc21 961613223 HCNOQCYCVOJOHS-IBGZPJMESA-N 368.274 5.271 0 1 FKAF Cc1cc(Cl)ccc1[C@@H]1c2ccsc2CCN1Cc1cccn1C 962378830 UTKHZZDIAFNMMS-HXUWFJFHSA-N 356.922 5.196 0 1 FKAF CCCCC(CCCC)[C@@]1(C)c2cccc(Br)c2CCN1C 963288716 FKQAOKDAWQANOK-FQEVSTJZSA-N 366.387 6.149 0 1 FKAF CC(=O)O[C@@H]1CC[C@@H]2C(C(C)C)=CC[C@]2(C)[C@@H]2C=C(C(=O)O)CCC2=C1C 2356307067 WVPBFHHEHAREER-FQOCKNPQSA-N 372.505 5.058 0 1 FKAF CC(=O)[C@@H]1CC[C@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@H]4CC3)CC[C@@]12C 2356324615 KRGINONPUAFUGF-CVKIWWORSA-N 368.517 5.316 0 1 FKAF CC[C@H](O)[C@@H](C)CCCC(C)=CC[C@H](O)C(C)=Cc1csc(C)n1 2356539502 QLPPQPNJLHXPOV-YSSFQJQWSA-N 351.556 5.129 0 1 FKAF CC1=CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@@H](OC(=O)C=Cc3ccccc3)[C@@H]12 2356570608 PJJFRVBMYOIECO-XVWAWNKYSA-N 368.517 5.011 0 1 FKAF COc1cc(C=Cc2ccc3c(c2)C=CC(C)(C)O3)cc(OC)c1OC 2356572794 ONDYGGPSUYANQW-UHFFFAOYSA-N 352.430 5.067 0 1 FKAF CCCCCCN[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 61946522 JCVJZIOPZNIDLZ-YQHCMSGASA-N 373.625 5.849 0 3 FKAF COc1ccc(Nc2nccc3[nH]c(-c4ccccc4Cl)nc23)cc1 74386374 OIXTZRWWJRYUTR-UHFFFAOYSA-N 350.809 5.031 0 3 FKAF CCCCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccccc21 13678296 PSVQDQDTYIMIFS-UHFFFAOYSA-N 370.452 5.207 0 1 FKAF O=C(CCCCCCOc1cccc(-c2ccccc2)c1)C(F)(F)F 13860581 OFSLRFDWUPANFG-UHFFFAOYSA-N 350.380 5.814 0 1 FKAF in-vivo CC(C)c1ccc2oc(N[C@H](CN3CCCCC3)c3ccccc3)nc2c1 28001795 HGTFHVUDPKQOSQ-OAQYLSRUSA-N 363.505 5.590 0 1 FKAF CCN(c1cccc2ccccc12)[C@@H]1CCCc2nc(Cl)cc(OC)c21 29052926 PFWXTNUVYDWTEH-LJQANCHMSA-N 366.892 5.801 0 1 FKAF Cc1ccc2c(C(=O)O)c(O)c(-c3ccc(-c4ccccc4)cc3)nc2c1C 35087017 CWZIVRQRQIXFOG-UHFFFAOYSA-N 369.420 5.589 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)C(F)(F)F 40873739 CBXPMQIDUGPEPO-DOFZRALJSA-N 370.499 7.654 0 1 FKAF COc1ccc2cc(CNCc3ccccc3)c(-c3ccsc3)nc2c1 64539598 XMKMXRAPYUXWLB-UHFFFAOYSA-N 360.482 5.262 0 1 FKAF CSc1ccc(-c2cc([C@@H](C)C(=O)O)ccc2C[C@@H]2CCCC2=O)cc1 72104566 DTRGKAXVIJTRPB-KDOFPFPSSA-N 368.498 5.175 0 1 FKAF Cc1ccccc1SC[C@@H](O)COc1ccc(-c2ccccc2)cc1 84690151 WUQYGCVNHMUFAV-FQEVSTJZSA-N 350.483 5.194 0 1 FKAF CCCCCSc1nc2n(n1)[C@H](c1cccs1)C1=C(O)CCCC1=N2 103950274 APTUZCYKGFGWLT-MRXNPFEDSA-N 374.535 5.293 0 1 FKAF CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccc(F)cc21 148923146 JBIOFRITBMPVGQ-UHFFFAOYSA-N 359.444 6.355 0 1 FKAF CC[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 149807393 UAAWWMDUGOTOMW-HNNXBMFYSA-N 370.909 5.210 0 1 FKAF Clc1ccc2nc(-c3ccccc3)n([C@H]3CCCN4CCCC[C@H]34)c2c1 299828118 HFIDYFPJJMYBTB-UXHICEINSA-N 365.908 5.546 0 1 FKAF Oc1ccc(C(c2ccc(O)cc2)[C@@H]2CCCC(Cl)(Cl)C2)cc1 473154545 IIGKIVOFRJRBEC-OAHLLOKOSA-N 351.273 5.594 0 1 FKAF C=Cc1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 586882276 ZCEZJQQGJCNTPH-UHFFFAOYSA-N 367.168 5.654 0 1 FKAF CC[C@@]1(C)C[C@@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 586891572 RWRSEPGBGGWWRQ-XIKOKIGWSA-N 365.315 5.654 0 1 FKAF Cc1ccc2c3c(cc(Cc4ccccc4Cl)nc13)-c1ccccc1C2=O 586992444 FZGXUDIVFFUGTL-UHFFFAOYSA-N 369.851 5.999 0 1 FKAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 587026412 DOHQZRIDIURXJY-UHFFFAOYSA-N 365.792 5.110 0 1 FKAF COc1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1Cl 587054203 MWMTUZYQFWAGGA-WAYWQWQTSA-N 353.636 5.702 0 1 FKAF Clc1cccc(/C=C\c2nc3cc4c(cc3[nH]2)OCCCO4)c1Cl 587054253 NNJDOFFJZMMGJM-WAYWQWQTSA-N 361.228 5.201 0 1 FKAF Cc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Cl 587114417 TYHGUZPUTZLDRI-LLVKDONJSA-N 352.787 5.890 0 1 FKAF CCOc1cc(/C=C\c2nc3cc(C)cc(F)c3[nH]2)ccc1OC(F)F 587130108 KCRYMJQJSMIZQW-ALCCZGGFSA-N 362.351 5.181 0 1 FKAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587234321 ZSKFNBGHJZMSCV-CMPLNLGQSA-N 370.280 5.031 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](C)[C@H]3C)c1 587366408 MBFTUQXTVZISDJ-HUUCEWRRSA-N 357.453 6.342 0 1 FKAF CC[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587402349 BYVGGIWQEGJEJT-XMMPIXPASA-N 357.453 5.515 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Cl)ccc2CC1(C)C 587463541 VPFRTHOQCXZGND-QFIPXVFZSA-N 370.876 5.441 0 1 FKAF COc1ccc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587509641 VSHXFQDVGZFZCS-QFIPXVFZSA-N 370.876 5.194 0 1 FKAF Cc1ccc(/C=C/[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587814329 HBGBDOSUYFLUEX-DCRNKBBPSA-N 374.297 5.359 0 1 FKAF COc1ccc(C[C@H](C)c2nc3cccc(C(C)(C)C)c3[nH]2)cc1OC 587926973 QKTNMGRNBSAMQF-AWEZNQCLSA-N 352.478 5.224 0 1 FKAF O=C(CCCCCN1CCCCCC1)n1c2ccccc2c2ccccc21 653687447 JVDDUXIBBLLHBJ-UHFFFAOYSA-N 362.517 5.871 0 1 FKAF NC(=O)c1ccc([C@@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653794003 ZLPNCECXKJLMOJ-QGZVFWFLSA-N 367.880 5.027 0 1 FKAF Cc1cc(C)c2c(c1)OCC[C@]21NCCc2cccc(-c3ccccc3)c21 962659968 BSEHGWUOPUHRSR-VWLOTQADSA-N 355.481 5.142 0 1 FKAF CCCCCCc1cc(C(=O)COc2ccc(C(C)C)cc2)c(O)cc1O 1857560965 LCPOOJPQMGIOAV-UHFFFAOYSA-N 370.489 5.606 0 1 FKAF Cc1cc(NC(=O)Cc2cccc(-c3ccccc3)c2)n(C2CCCCC2)n1 1857575014 UVHQOMMXNAHCMI-UHFFFAOYSA-N 373.500 5.545 0 1 FKAF CCCCCC[C@H]1OC(=O)[C@H]1CCCc1ccc(-c2ccccc2)cc1 1857591512 UGQDNKICOVHTSS-XZOQPEGZSA-N 350.502 6.188 0 1 FKAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C=C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356811158 BESWZNZZPZNJEO-NKAARRPJSA-N 358.566 6.312 0 1 FKAF C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](N)c1ccccc1 6202023 ZWMWNOXLPBMYMO-DQAOFOOOSA-N 358.485 5.141 0 3 FKAF O[C@@H](c1ccc(F)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)c[nH]1 61907535 APJFIQKUGRJXIY-NRFANRHFSA-N 360.388 5.090 0 3 FKAF CCN(CC)C(=O)OC1=C(c2ccccc2)Cc2ccccc2-n2cccc21 13491324 JAUNHGFDBAAPNS-UHFFFAOYSA-N 372.468 5.380 0 1 FKAF O[C@H]1CCCc2nc3cc(C(F)(F)F)ccc3c(NCc3ccccc3)c21 14946530 XDFZZQNTAWSQRW-SFHVURJKSA-N 372.390 5.235 0 1 FKAF COc1ccc(-c2ccc3cc(C)nc(C)c3c2O)c2cc(C)cc(OC)c12 15121553 ZVEFMIXBVJXINX-UHFFFAOYSA-N 373.452 5.703 0 1 FKAF biogenic CCC/C=C/CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@H]21 27763875 QWDZLNDAIUPCIA-OYQYDDJWSA-N 354.534 6.682 0 1 FKAF Cc1cc(-c2ccc(Cl)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C 29043422 GOUMJTGDXMAQKS-LBPRGKRZSA-N 373.327 7.148 0 1 FKAF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccc(C)o1 36474187 JVAZTTIDWBVZSH-UHFFFAOYSA-N 371.912 5.504 0 1 FKAF c1ccc(-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1 40914110 HRTRXHZNKXBTQA-UHFFFAOYSA-N 367.496 5.610 0 1 FKAF FCCCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 96907876 OHESZUPGMIFNLT-UHFFFAOYSA-N 370.899 5.091 0 1 FKAF CC(C)/C=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936792 BKWBRNDZAJHCMT-FNSJAWQJSA-N 370.621 6.775 0 1 FKAF endogenous,in-man COc1cc2ccnc(-c3sc4ccccc4c3Cl)c2cc1OC 144706080 OXISFGQCJJHEGB-UHFFFAOYSA-N 355.846 5.787 0 1 FKAF C/C1=C/CC(C)(C)C[C@@H](OC(=O)/C=C/c2ccc(O)cc2)C/C(C)=C\CC1 169304591 SPBVSJHMHZCQRT-AKUCNYCWSA-N 368.517 6.200 0 1 FKAF CC/C=C/CCSC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169343963 YDJGESKTURUXSO-PQTCOCBESA-N 352.540 5.071 0 1 FKAF Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc(O)cs2)cc1 169726296 GWPSOYYSFJEVCB-QGZVFWFLSA-N 369.877 5.166 0 1 FKAF CC1=CC[C@H]2[C@@H]([C@@H](C)CC/C=C(\C)C(=O)O)CC[C@]2(C)CC2=C(C)CC[C@H]12 238745093 RLOJDPOJHFERLF-QMWJULBZSA-N 370.577 6.933 0 1 FKAF C/C(=C/CO)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO 238758958 ISIHZRKYQJEYEZ-DIOJFPMKSA-N 374.609 6.823 0 1 FKAF Cc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2cc1F 587031541 SMXFPQMLBCHPRM-LBPRGKRZSA-N 365.477 5.969 0 1 FKAF Clc1ccc(-n2cccc2)cc1-c1nc2cccc(Br)c2[nH]1 587050581 PKIMZUQDCVACCF-UHFFFAOYSA-N 372.653 5.437 0 1 FKAF FC(F)(F)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587063110 OZEJBUDBQCWPRI-UHFFFAOYSA-N 363.726 5.557 0 1 FKAF Oc1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 587083032 ZJDWPBYHKPYDHF-UHFFFAOYSA-N 371.827 5.804 0 1 FKAF Fc1cc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1Br 587149742 ANFMJHFSFIHBEJ-RKDXNWHRSA-N 367.168 5.014 0 1 FKAF COC(=O)c1ccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587215009 YEDXOKONCSQAJC-UHFFFAOYSA-N 365.432 5.454 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2)c1 587236774 ZJAUHXSUJNOQES-UHFFFAOYSA-N 368.267 6.245 0 1 FKAF CC[C@@]12CC[C@@H](C1)C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355654 VVDNMMVZSCIHGC-VKXSIESHSA-N 366.432 5.229 0 1 FKAF COc1cc2c3c(c1)O[C@@](c1cc4ccccc4o1)(C(C)(C)C)[C@@H](C2)C3=O 587455698 PMJGUNSYWBMRJH-HJPURHCSSA-N 362.425 5.130 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C)cc3)o1)CC2=O 587478708 IBPUSUDUMHPMCV-QFIPXVFZSA-N 362.425 5.620 0 1 FKAF CCCCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587520479 CPVVVMQHXJOLOD-JOCHJYFZSA-N 350.458 5.451 0 1 FKAF COc1ccccc1-c1[nH]c2c(C)cc(Cl)cc2c1C(=O)C(F)(F)F 587624702 RTJSPTJNRRHBNN-UHFFFAOYSA-N 367.754 5.550 0 1 FKAF CCc1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(C(F)(F)F)cc1 587629778 HFUAFVDUNYRJMA-UHFFFAOYSA-N 369.745 5.773 0 1 FKAF Cc1ccc(-c2csc(-c3ccc(OCc4ccccc4)cc3)n2)cc1C 587921239 SDWZLTCZPBELJH-UHFFFAOYSA-N 371.505 6.673 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3cc(Cl)c(F)cc3[nH]2)cc1 587938762 ZSXXJRUMGIUYFE-FQEVSTJZSA-N 366.823 5.544 0 1 FKAF Clc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c(Cl)n1 587948382 BHXYOPLVBWSXMC-UHFFFAOYSA-N 370.239 5.648 0 1 FKAF CCC[C@@]1(Cc2ccccc2)NC2(CC2)Cc2ccc(Br)cc21 961328705 WIPHMOVLVGWFHQ-NRFANRHFSA-N 370.334 5.366 0 1 FKAF O=C(O)C1CN(Cc2cc3cccc(-c4ccc5ccccc5c4)c3s2)C1 1772621151 GJSYNURNVITNAX-UHFFFAOYSA-N 373.477 5.238 0 1 FKAF CCc1cccc(-c2nn3c(c2-c2ccnc(Cl)c2)[C@@H](C)C(C)(C)C3)n1 1857772948 RJYLXDOMINULIC-CYBMUJFWSA-N 366.896 5.366 0 1 FKAF CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@@]3(OC)CC[C@@]21C)C(C)C 2356397514 OHBIKPTYAYDBKX-FAALNCNKSA-N 362.554 5.737 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@@H]3CCC4=CN(CC(=O)O)C=C[C@H]4[C@@]3(C)CC[C@H]12 2356784679 PQUGGJDNPWLFES-JGHXFCGWSA-N 357.538 5.443 0 1 FKAF O[C@@H](c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)cc2)c[nH]1 61905111 QFJXGXINXIAGCS-HNNXBMFYSA-N 353.636 5.119 0 3 FKAF Oc1ccc(C2=C(c3ccc(C(F)(F)F)cc3)c3ccc(O)cc3C2)cc1 13673479 ABWCAVMWLBXQQF-UHFFFAOYSA-N 368.354 5.632 0 1 FKAF Cc1ccc(-c2cc([C@H](O)[C@H]3CCCCN3)c3cc(C)cc(C)c3n2)cc1 27524269 VOPRLSQHNFTEJF-QPPBQGQZSA-N 360.501 5.003 0 1 FKAF CC(C)(C)c1cc(/C=C(\C(=O)O)c2ccccc2)c(O)c(C(C)(C)C)c1 28654508 WPPXRCVKXKVKFV-AQTBWJFISA-N 352.474 5.612 0 1 FKAF Cc1cccc(NC(=S)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)c1 28709440 FHTPSJJPZYAXOU-JOCHJYFZSA-N 371.509 5.543 0 1 FKAF Cc1ccc2c(c1)CN(CCc1ccc(Cl)cc1Cl)C(=S)N2 45369636 NESKUBZSCVSDKW-UHFFFAOYSA-N 351.302 5.057 0 1 FKAF Clc1ccc2c(c1)C[C@@H](c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2 49032936 UZCCTVAKBCSSGF-CYBMUJFWSA-N 367.861 5.059 0 1 FKAF O[C@H]1c2ccccc2C[C@@]1(Cc1ccccc1)C1=Cc2ccccc2CC1 71340478 VLHRUWJMZKYRCS-UIOOFZCWSA-N 352.477 5.535 0 1 FKAF CCCN(CC1CC1)c1cc(Oc2ccc3oc4ccccc4c3c2)ncn1 82067718 AEGNUJJPUHBOSK-UHFFFAOYSA-N 373.456 5.795 0 1 FKAF Clc1ccc2nc(Nc3nnc(-c4ccccc4Cl)o3)sc2c1 98082603 GPHNZLFLUBUWIY-UHFFFAOYSA-N 363.229 5.397 0 1 FKAF Clc1ccc(CO[C@]2(c3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1Cl 101300587 RVSLPYXAWKWRCQ-YRWFTTLQSA-N 362.300 5.320 0 1 FKAF COc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113655474 DBJSYPFMXMIPHU-UHFFFAOYSA-N 369.468 5.015 0 1 FKAF CCCCN(CCCC)C[C@H](O)c1cnc2c(C(F)(F)F)cccc2c1 169338269 CPSHFGCAVAAYNO-SFHVURJKSA-N 368.443 5.189 0 1 FKAF CC(C)SCc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224707159 LJXAILSMKLTWIN-UHFFFAOYSA-N 353.466 5.174 0 1 FKAF Cc1c(Br)ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586885738 NRSNPMQJCBDBKP-LIRRHRJNSA-N 353.263 5.005 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(O)cc4F)nc13)-c1ccccc1C2=O 586996002 OMPHMYCKSQSEHZ-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF Cc1cc(Br)cc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587027322 BKBZWVFIEOUECZ-UHFFFAOYSA-N 370.275 5.424 0 1 FKAF c1ccc2sc(-c3ccc4[nH]c(-c5cc6c(s5)CCC6)nc4c3)nc2c1 587037069 REEVOWPJDVNIHU-UHFFFAOYSA-N 373.506 6.057 0 1 FKAF Clc1cccc(/C=C/c2nc3c(Cl)c(Cl)cnc3[nH]2)c1Cl 587054012 KHWKKRJUJZDQCD-SNAWJCMRSA-N 359.043 5.742 0 1 FKAF Cc1cc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2cc1C 587064556 CYMHTBAUHCEWMO-UHFFFAOYSA-N 350.853 5.303 0 1 FKAF CCCCC/C=C/Cc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587100882 PVTNDEQOBZNDLN-BQYQJAHWSA-N 355.481 6.434 0 1 FKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cccc(F)c3[nH]2)c(F)c1 587144727 OLMKZVJSLAXPAN-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)Cc1sc(Cl)nc1C3 587207143 BYNUPIAIZUTOSL-UHFFFAOYSA-N 374.852 5.051 0 1 FKAF CCC[C@H]1CC[C@H](CC[C@@H]2CCc3nc4cccc5c4c(c3C2)CC5)CC1 587215856 WFAXBHCMMFEZMJ-VAMGGRTRSA-N 361.573 6.825 0 1 FKAF Nc1ccc(/C=C\c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 587251252 DJZXEODTYZWQMT-UTCJRWHESA-N 371.284 5.353 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cccc(Cl)c13)CC2=O 587463057 VMYDGMBDOIWFLK-GOSISDBHSA-N 355.821 5.186 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3cccc(F)c3o1)CC2=O 587473269 ZFNSRQXENGLDLV-NRFANRHFSA-N 354.377 5.111 0 1 FKAF Cc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527029 YCMMJIGKMBHLCT-AREMUKBSSA-N 368.476 5.783 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccc(Cl)cc3)[nH]c12 587624469 NBUHAPOPFKHPBZ-UHFFFAOYSA-N 372.173 6.195 0 1 FKAF CCc1c(-c2ccccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627568 CTYCJPBWHSJTNN-UHFFFAOYSA-N 358.285 5.830 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)OC)c2c1 587643602 VVKOMMPHLTYLNZ-HNNXBMFYSA-N 367.464 5.983 0 1 FKAF CCOc1ccccc1OCc1nc2cccc(OCc3ccccc3)c2[nH]1 587779627 BNUVVWFGGSVVME-UHFFFAOYSA-N 374.440 5.120 0 1 FKAF CC1=C([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CC=C1 587824179 VBGOJQSJMPBMNR-XIKOKIGWSA-N 364.302 5.466 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C)(C)[C@H]1CC[C@]2(C)C1 587830603 VMWPALSTKQDQDB-KRGWDZPISA-N 366.318 5.164 0 1 FKAF CCC[C@@H](c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(C)C 587957064 ZJYZOXZIVLFMCW-GOSISDBHSA-N 366.461 5.682 0 1 FKAF CC(C)=CCC/C(C)=C\c1nc2cc(Cl)cc(Br)c2[nH]1 587966178 ALDQZEALRQNOHH-XFFZJAGNSA-N 353.691 6.129 0 1 FKAF Brc1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2cn1 587966330 BJAZPZHZKVDZEG-HJWRWDBZSA-N 350.219 5.044 0 1 FKAF CCCCCc1ccc([C@]2(C3CC3)NCCc3c2c(C(C)C)nn3C)cc1 962910991 NTNZGNDANFFUPO-XMMPIXPASA-N 365.565 5.076 0 1 FKAF FC(F)(F)C1CCC2(CC1)c1ccsc1CCN2Cc1cccnc1 962998667 ONEQJURPYKOVOJ-UHFFFAOYSA-N 366.452 5.149 0 1 FKAF CCc1c([C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)oc2ccc(C)cc12 963102874 GFUKUHRMTJNQAR-OSPHWJPCSA-N 363.476 5.727 0 1 FKAF COc1ccc(Cn2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)c2)cc1 1772620174 GIVPUDMKRJDZNE-UHFFFAOYSA-N 371.436 5.290 0 1 FKAF Fc1ccc2[nH]cc(CN3CCC(F)(F)[C@H](CCc4ccccc4)C3)c2c1 1772655548 LQAXENHGYRDCSF-GOSISDBHSA-N 372.434 5.397 0 1 FKAF CCCCCc1ccc(-c2cn([C@H]3CCCCc4ccccc43)nn2)cc1 1857621699 ISBYSKHHLKSVMK-DEOSSOPVSA-N 359.517 5.994 0 1 FKAF CC[P@](=O)(OC)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1 1911577862 JORWQECTVIFNQT-VWLOTQADSA-N 369.279 5.083 0 1 FKAF O=C(O)[C@@H](CCCCC1c2ccccc2-c2ccccc21)Cc1ccccc1 1543188 DTGHEJZBQMEOGU-FQEVSTJZSA-N 370.492 6.303 0 1 FKAF Fc1cc2nc3n(c2cc1F)[C@H](c1c(Cl)cccc1Cl)SC3 5544187 PJLIXBWBUQRGNL-HNNXBMFYSA-N 357.212 5.415 0 1 FKAF N=C(Nc1ccccc1/C=C/c1ccccc1)NC1C2CC3CC(C2)CC1C3 26490712 NPDRLZZMBVMRBB-ZHACJKMWSA-N 371.528 5.618 0 1 FKAF CCCCCC(P(=O)(OCC)OCC)P(=O)(OCC)OCC 26954143 ZVNFRYCDXYEINX-UHFFFAOYSA-N 358.352 5.425 0 1 FKAF Cc1cccc2nc(-c3c(F)cccc3F)n(Cc3c(F)cccc3F)c12 28710962 JFUOXVJFGPLSAT-UHFFFAOYSA-N 370.349 5.616 0 1 FKAF O=C1C[C@@H](c2cccc(F)c2)c2c(ccc3cc(Br)ccc23)O1 29136137 MHYWAYRZXSMECA-INIZCTEOSA-N 371.205 5.182 0 1 FKAF c1cc2c3c(cccc3c1)[C@@H](N1CCC(c3c[nH]c4ncccc34)CC1)C2 34867451 AWKSCYYXWJOSAA-QFIPXVFZSA-N 353.469 5.193 0 1 FKAF O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1 35271265 OGLSMYJVSNRZQU-UHFFFAOYSA-N 374.440 5.869 0 1 FKAF CCCn1c(-c2c(Cl)cc(O)cc2Cl)cc2c(Cl)cc(O)cc21 39383340 JDHSOKUKBCBUKR-UHFFFAOYSA-N 370.663 6.090 0 1 FKAF O=C1/C(=C/c2ccco2)c2ccccc2N1c1c(Cl)cccc1Cl 40943546 QWBVGQSWIOWZLL-SDNWHVSQSA-N 356.208 5.805 0 1 FKAF Cc1cc(=O)oc2cc(SCc3cccc(C(F)(F)F)c3)ccc12 82155551 SENRZTWBJQAHAD-UHFFFAOYSA-N 350.361 5.413 0 1 FKAF Cc1nc(-c2cnc(NC3CCCC3)nc2-c2ccccc2F)sc1C 82175064 BZWKPVBBTPVGOZ-UHFFFAOYSA-N 368.481 5.378 0 1 FKAF CC1(C)CC(Nc2ccc(-c3ccc4ccccc4c3)nn2)CC(C)(C)N1 146768160 QYOLLMGXTMKUBP-UHFFFAOYSA-N 360.505 5.018 0 1 FKAF O=C(c1c[nH]c2ccccc12)[C@H](Nc1cc(F)cc(F)c1)c1ccccc1 218298370 KZLHDRUYORYODR-OAQYLSRUSA-N 362.379 5.482 0 1 FKAF Clc1ccccc1-c1cnccc1-c1cnc(Nc2ccccc2)s1 473116624 XEILKKPQMAHYIV-UHFFFAOYSA-N 363.873 6.269 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2c(Br)cnc(Cl)c2[nH]1 586883031 FRXNLKMXXSKOGN-UHFFFAOYSA-N 372.653 5.502 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCCCCCCC4)-c1ccccc1C2=O 587101987 YBYCDCQVTVAFAD-UHFFFAOYSA-N 355.481 6.194 0 1 FKAF FC(F)Oc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 587130797 RQKVZTWSIQEFAU-UHFFFAOYSA-N 362.685 5.504 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3cccc(F)c3)cc1)O2 587383401 BIXYMXWSYCWQPL-NRFANRHFSA-N 363.388 5.215 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)(C)C)[nH]c3c(C)cccc13)O2 587395977 HRCUNROFCOYXQM-GOSISDBHSA-N 362.473 5.371 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)[nH]c3ccccc13)O2 587396629 MSWCAQMRVOUCSC-OAQYLSRUSA-N 368.436 5.432 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccccc1)CC2=O 587485953 WJWYRGIAWZDTKZ-HSZRJFAPSA-N 358.437 5.718 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cc(C)c(C)cc3n1)CC2=O 587492007 VRTSLHIZJDCDRN-QFIPXVFZSA-N 361.441 5.216 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ccccc12 587600737 CBUVNINBFVCAKV-QPPBQGQZSA-N 368.388 5.248 0 1 FKAF Fc1ccc(-c2c(-c3ccccc3)[nH]c3ccc(F)c(Cl)c23)cc1F 587629716 YVUNHXSDEQPOJS-UHFFFAOYSA-N 357.762 6.573 0 1 FKAF CC[C@]1(CCCC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587815277 ZJBIYKHKJTVNCE-FZKQIMNGSA-N 356.323 5.554 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CCCC[C@H]3C2)N1 587818045 PBTJUWXDCMOKDP-QUHUKJRKSA-N 366.318 5.308 0 1 FKAF CC(C)C/C=C(\C(C)C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821751 XJJBGNZXNOQDRR-CNACBYGCSA-N 368.334 5.792 0 1 FKAF Cc1c(Cl)ccc2c(-n3nc4cc3Oc3ccc(F)cc3-4)ccnc12 587873438 BPVNABRFAPUPAG-UHFFFAOYSA-N 351.768 5.294 0 1 FKAF FC(F)(F)c1cnc2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1 587959690 SEJRCMXJBKCFPD-UHFFFAOYSA-N 353.347 5.235 0 1 FKAF COc1ccc2nc(Cl)c(/C=C/c3ccc(C(F)(F)F)cc3)cc2c1 653795174 VDPMPSCTBQPGOR-GORDUTHDSA-N 363.766 6.086 0 1 FKAF Cc1c(F)ccc2c1[C@H](c1c(Cl)sc(Cl)c1Cl)NCC2 962143781 JCYMWLWCEZCORT-GFCCVEGCSA-N 350.673 5.391 0 1 FKAF O=S(=O)(Oc1ccc(-c2ccc3occc3c2)cc1)c1ccc(F)cc1 1857550151 IZYQCOHYIQKZGJ-UHFFFAOYSA-N 368.385 5.007 0 1 FKAF CC(C)Oc1cccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)c1 1857609810 IFLWENXGEYXGDD-UHFFFAOYSA-N 374.484 5.547 0 1 FKAF CC1=CC[C@]2(C)CC[C@]3(C)CCC(C)(C)[C@H](O)[C@H]3[C@@H]2CCC(C)=CCC1 2356378052 ULDBXMRKZUJJOC-YQSOIZMPSA-N 358.610 7.063 0 1 FKAF COc1cc2c(cc1C(C)C)C(=O)C[C@@H]1C(C)(C)C[C@H](OC(C)=O)C[C@]21C 2356453493 ABEYRUZXTWMTSC-PNDGYVOYSA-N 372.505 5.031 0 1 FKAF CC(C)c1ccc(NC(=O)O[C@H]2CCCN(Cc3ccccc3)C2)cc1 2382261348 PCRCEFXLDHXCPZ-NRFANRHFSA-N 352.478 5.023 0 1 FKAF Cc1ccc([C@@H](O)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 6788524 YFBJXUQHEMIQGE-FQEVSTJZSA-N 354.342 5.337 0 3 FKAF Clc1cc(Cl)cc(CN[C@@H]2CCC23CCC(c2ccccc2)CC3)c1 205707594 IBWUKWPXJLBVRG-NFOQDIRWSA-N 374.355 6.590 0 3 FKAF CC(C)N(C(=O)C1CCCCC1)c1cc(-c2ccccc2)sc1C(=O)O 3654622 JODZOJIVVZXQBC-UHFFFAOYSA-N 371.502 5.435 0 1 FKAF CCN(CC)CCCCCOC(=O)[C@](C)(c1ccccc1)C1CCCCC1 13453148 SHORJVPMMAZEFL-XMMPIXPASA-N 373.581 5.580 0 1 FKAF O=C(O)c1cccc(OCCCCC2c3ccccc3-c3ccccc32)c1 13741281 BBKGXFWIHQBFNO-UHFFFAOYSA-N 358.437 5.746 0 1 FKAF CC1(C)CCC(C)(C)c2cc(S/C=C/c3ccc(C(=O)O)cc3)ccc21 26726205 HPQNKAOSONMSSV-SDNWHVSQSA-N 366.526 6.497 0 1 FKAF Cc1nn(C)c2nc3ccccc3c(Nc3ccc(C(=O)C(C)C)cc3)c12 29037846 GPSZATFJMXJRGO-UHFFFAOYSA-N 358.445 5.012 0 1 FKAF C/C=C/c1ccc(OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(OC)c1 35066335 USTGDNUOMJAQHO-WSRSNBHMSA-N 368.561 7.526 0 1 FKAF COc1c(C(=O)OCCC(C)C)c2c(c3ccccc13)OC(C)(C)C=C2 40848312 QVFHATOJDLHYFF-UHFFFAOYSA-N 354.446 5.236 0 1 FKAF O=c1oc(-c2ccc(O)cc2)cc(-c2ccccc2)c1-c1ccc(O)cc1 40977325 PVHKIFWJOYXHMU-UHFFFAOYSA-N 356.377 5.052 0 1 FKAF C[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1 43010995 HZNTWQAMIOKCMC-JTSKRJEESA-N 369.530 5.166 0 1 FKAF Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3cccc(C)c3)n2)cc1 82173830 UMRXZPVKRVGJTL-UHFFFAOYSA-N 370.456 5.336 0 1 FKAF NC1(c2ccc(-c3ncc4ncccc4c3-c3ccccc3)cc2)CCC1 84670063 OAVFNCRJWQAXCI-UHFFFAOYSA-N 351.453 5.302 0 1 FKAF O=C1c2c(ccc3ccccc23)OC[C@@H]1c1ccc(Oc2ccccc2)cc1 103231161 MVCYWOXPHRRABH-JOCHJYFZSA-N 366.416 5.991 0 1 FKAF COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1sccc1C 103232748 IBJZXKGHISDDBQ-LJQANCHMSA-N 350.439 5.181 0 1 FKAF O=C(c1cc(C2CCCCC2)on1)N(C1CCCCC1)C1CCCCC1 103283869 KULQLZKQQHKTID-UHFFFAOYSA-N 358.526 5.830 0 1 FKAF CCc1nn(-c2ccccc2)c2cc(-c3ccc([C@H]4CCNC4)cc3)ccc12 147350826 USYFUDSWWLXJIZ-NRFANRHFSA-N 367.496 5.332 0 1 FKAF CC(C)=CCC[C@@](C)(O)[C@H]1C/C=C(\C)CC/C=C(/CO)CC/C=C(\C)CC1 238780598 VUURSWUKVPJIET-NBXKDANGSA-N 374.609 6.656 0 1 FKAF CCCC1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCC1 586877598 GLDBLOGLQDFFKT-UHFFFAOYSA-N 361.205 5.566 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cccc(OC(F)(F)F)c2[nH]1 587066108 INQPYUKMAJAZAN-SNVBAGLBSA-N 370.758 5.563 0 1 FKAF CCOc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587096649 GACWPCJAYVMVNC-UHFFFAOYSA-N 365.432 5.820 0 1 FKAF CCOc1cc(/C=C/c2nc3cc(C)cc(C)c3[nH]2)ccc1OC(F)F 587129771 GEEAGNWFDZSSBU-SOFGYWHQSA-N 358.388 5.350 0 1 FKAF Cc1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587153151 WPBDPFHZYUVVLF-GHMZBOCLSA-N 363.205 5.183 0 1 FKAF O=C(O)c1ccc(Oc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587215049 ZOHZRWYFCJMJPD-UHFFFAOYSA-N 367.404 5.491 0 1 FKAF O=C(c1ccccc1)c1ccccc1C(=O)c1coc2ccc(Cl)cc12 587276427 OOBDDAXQTMTDLW-UHFFFAOYSA-N 360.796 5.548 0 1 FKAF CCO[C@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587364987 HIWULGBVMJMUSZ-KRWDZBQOSA-N 373.452 5.550 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC(C)(C)C)(c1ccc(F)cc1)CC2=O 587466453 LIZDJYKKRXMLMP-HSZRJFAPSA-N 370.464 5.781 0 1 FKAF CC(C)Oc1ccccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523681 OGEFFNBEHSLKRX-HSZRJFAPSA-N 350.458 5.233 0 1 FKAF CSc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587531249 GYKFZKKROANBAF-NRFANRHFSA-N 372.917 5.821 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(-c3ccccn3)c2c1 587641616 NMSAGMKOEKXLEB-OAHLLOKOSA-N 360.888 7.064 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2Cl)N1 587696049 KPPFAYLYGPRKHR-BMLIUANNSA-N 368.677 5.039 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3ccccc32)N1 587818031 OSJUNILLWQCFJI-RNODOKPDSA-N 374.297 5.092 0 1 FKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587927775 UOXXDBBHLSJFMV-MRXNPFEDSA-N 352.478 5.420 0 1 FKAF CC1=C2CC[C@H]3C4=CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@H]1O 1772573390 CUYUNQYRSINPNC-QTRACRKZSA-N 361.529 5.709 0 1 FKAF Fc1ccc(Cn2c3ccccc3c3ccnc(-c4ccccn4)c32)cc1 2382234845 SURFEUUSNHJGEN-UHFFFAOYSA-N 353.400 5.439 0 1 FKAF COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(Cl)cc2)cc1 5008119 PEJZFBVSMOQNLA-JOCHJYFZSA-N 362.860 5.704 0 1 FKAF CCCCc1ccc2nc(NC(=O)c3oc4ccccc4c3C)sc2c1 6342763 MAWKXDMZRSILIW-UHFFFAOYSA-N 364.470 5.946 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)C)c(O)c1 13681076 OMKDBOPYXOZQHE-LEWJYISDSA-N 372.593 7.442 0 1 FKAF Cc1ccc(C(=O)CCCC2CCCCC2)cc1NC(=O)c1cccnc1 13757524 UJNRBVZSCOAMLG-UHFFFAOYSA-N 364.489 5.576 0 1 FKAF Nc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12 13761252 LQXSKACZCVEEST-UHFFFAOYSA-N 362.816 5.223 0 1 FKAF CC1(C)CCC(C)(C)c2cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)ccc21 13804910 HQIJOUHEHNIFNR-UHFFFAOYSA-N 373.496 6.396 0 1 FKAF CN(CCCc1ccccc1)[C@H]1Cc2ccccc2[C@H](c2ccccc2)C1 26835593 CTCJWIWEGWIVRG-AHWVRZQESA-N 355.525 5.698 0 1 FKAF CC(=O)c1ccc2c(c1)N(C[C@H](C)CN(C)C)c1cc(Cl)ccc1S2 27721228 CMFHRVSZADUNBX-CYBMUJFWSA-N 374.937 5.343 0 1 FKAF CCCC[C@H](C)Oc1c(OC)cc(N[C@@H](C)CCCN)c2ncc(C)cc12 28218515 BZXQSWWSPPMCCV-IRXDYDNUSA-N 373.541 5.049 0 1 FKAF CCC[C@@H](C)C(=O)N1c2ccccc2-c2ccccc2[C@H]1c1cccs1 40412210 DCTXKHYTXQFCET-ZHRRBRCNSA-N 361.510 6.287 0 1 FKAF c1cc(-c2ccc(CN3CCCC3)cc2)cc(-c2nc3ccccc3[nH]2)c1 45303122 ZHOLRJQSIKYISX-UHFFFAOYSA-N 353.469 5.493 0 1 FKAF CSc1ccc(-c2cc(C[C@H]3CCCC3=O)ccc2[C@@H](C)C(=O)O)cc1 72107436 SRAWWXJGKORRCF-RHSMWYFYSA-N 368.498 5.175 0 1 FKAF Cc1ccc(Nc2nc(C[C@H](C)NC3CCCCC3)ns2)cc1Cl 82052401 CHHKHFXQVVTSNP-ZDUSSCGKSA-N 364.946 5.097 0 1 FKAF C[C@H](C(=O)O)C1=C/C(=C\c2ccc(-c3ccccc3)cc2)c2ccc(F)cc21 84652725 NAXKIZLFULQLHI-UOEVCUDDSA-N 370.423 6.151 0 1 FKAF CC1(C)[C@H]2C[C@H]1CC[C@@H]2CNc1cc(Oc2ccccc2Cl)ncn1 104930755 YWMBVCXILUAJCY-KFWWJZLASA-N 357.885 5.407 0 1 FKAF Cc1c(N(CCC2CC2)S(=O)(=O)c2ccccc2)sc2ccccc12 115230221 OXIACWRTKAJYDC-UHFFFAOYSA-N 371.527 5.205 0 1 FKAF CC1(C)OC[C@@H]([C@]2(C)C=C3CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]3CC2)O1 138437943 FJZIWOWYBFGDBI-QHZMACHJSA-N 362.554 5.078 0 1 FKAF Fc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1 143329522 NRQIJWIEEFFCNG-UHFFFAOYSA-N 355.376 5.056 0 1 FKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3cccc(Cl)c3)cc21 143407895 DUXONSDHJUHRBN-LJQANCHMSA-N 360.762 5.786 0 1 FKAF CC/C=C\CCSC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 254153295 YDJGESKTURUXSO-SIOFCXNYSA-N 352.540 5.071 0 1 FKAF Cc1cc(-c2nc3c(C)ccc(C)c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878398 GIGTVHITKXHUPA-UHFFFAOYSA-N 356.425 5.520 0 1 FKAF Cc1ccc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2c1 587083485 WPZMDVXJBYMYCH-UHFFFAOYSA-N 373.843 6.308 0 1 FKAF Cc1ccc(/C=C/c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587099656 QZWPSHDEPCBTRX-OUKQBFOZSA-N 361.444 6.233 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4cc(Cl)c(Cl)nc4[nH]3)C2)c1 587131440 IFMPKWWITVQUBK-UHFFFAOYSA-N 354.187 5.146 0 1 FKAF Fc1c(F)c(F)c(/C=C\c2nc3ccc4c(c3[nH]2)CCCC4)c(F)c1F 587134133 IPMMBFSANSYYCW-VURMDHGXSA-N 364.317 5.308 0 1 FKAF Cc1cc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c(C)n1 587151896 VGXLYRSCXODUEJ-HXUWFJFHSA-N 365.383 5.021 0 1 FKAF Nc1ccc2oc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)cc2c1 587252562 ZLWXTTZHHJXWQK-UHFFFAOYSA-N 367.714 5.110 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccccc1SC(C)(C)C)[C@@H](C2)C3=O 587450245 SFNHSKAMMWIBCC-MGPUTAFESA-N 354.471 5.075 0 1 FKAF CC(C)(C)[C@@]1(CC2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587522610 JDSARJZLWRYQKN-XMMPIXPASA-N 354.534 6.286 0 1 FKAF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C)cc(Cl)cc23)cc1 587624246 HNBUDSBLFGITPJ-UHFFFAOYSA-N 365.782 5.942 0 1 FKAF CC(C)c1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cc(Cl)c(F)cc12 587630742 CBPGMESRUJYAPH-JTQLQIEISA-N 354.853 5.670 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(NC(=O)OC(C)(C)C)c2c1 587640908 COHNHOACMSTLFV-HNNXBMFYSA-N 364.489 6.695 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccccc2F)N1 587725046 BICDAIZLEYQCIQ-RPJXKNNSSA-N 364.233 5.016 0 1 FKAF CCCCC/C=C/CC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817570 CPQPTDIDXYAKJV-KCEHYLLSSA-N 368.334 6.080 0 1 FKAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc2ccccc12 587868695 OXIWXYWXSFONIP-UHFFFAOYSA-N 369.346 5.115 0 1 FKAF CC1(C)CCC(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 587963377 NJOJBHKZQSXHFG-UHFFFAOYSA-N 361.358 5.371 0 1 FKAF Cc1c([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)[nH]c2c(Cl)cccc12 963113572 URHFVAFWMGOHAZ-LHSJRXKWSA-N 354.856 5.379 0 1 FKAF CCCCn1c(=O)sc2cc(C(=O)C34CC5CC(CC(C5)C3)C4)ccc21 1857580466 HTOZGCRKKAPERF-UHFFFAOYSA-N 369.530 5.262 0 1 FKAF Fc1cc(/C=C/c2ccc(Br)cc2)cc(-c2ccncc2)c1 1857655050 JJNWGIGUWXSEBF-OWOJBTEDSA-N 354.222 5.821 0 1 FKAF CC1=CC[C@]2(C)CC[C@H]([C@H](C)CO)[C@@H]2CC=C(C)[C@H]2CC[C@H](C)C2=CC1 2356325950 RTSBHYOVQSBPLR-JTHFTQETSA-N 356.594 6.696 0 1 FKAF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C1=CC[C@@H](C)C[C@H]12 2356332254 BKRLVBUDBPQLLV-CRAIPNDOSA-N 356.506 5.956 0 1 FKAF CC1=C[C@H](O)CC(C)=CC[C@]2(C)CC[C@]3(C)CCC(C)(C)[C@H](O)[C@H]3[C@@H]2CC1 2356618292 MGTAYOKGQOZSLL-OHLCYODYSA-N 374.609 6.034 0 1 FKAF CC(C)=CCCC(C)=CCC=C(C)COc1ccc2ccc(=O)oc2c1 2356671097 OAJONPONXXYFIP-UHFFFAOYSA-N 352.474 6.201 0 1 FKAF CCCC=CCCCCCCCCCCC=CC=CC(=O)N1CCCCC1 2356680575 MKEWSYYOWWKTAK-UHFFFAOYSA-N 373.625 7.369 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@H]3CCC4=CN(CC(=O)O)C=C[C]4[C@@]3(C)CC[C@H]12 2356865545 NKXDUWNOFBRCSE-IYRWYFENSA-N 356.530 5.401 0 1 FKAF COc1ccccc1C1=NO[C@@](C)(c2sc(-c3ccccc3)nc2C)C1 12726875 JHCXNMDWCFFBLI-OAQYLSRUSA-N 364.470 5.167 0 3 FKAF OCc1cc(Cl)c(-c2ccc(O)c(Cc3ccccc3)c2)c(Cl)c1 1895138 IJRHNNAVFQRSIB-UHFFFAOYSA-N 359.252 5.449 0 1 FKAF CO[C@@]1(c2cccc(OCc3ccc4ccccc4c3)c2)CCCCOC1 13725367 VZHABKIOBCJALE-DEOSSOPVSA-N 362.469 5.461 0 1 FKAF CC[C@H]1CC=C[C@H]2[C@@H](c3cc(C)ccc3F)N(Cc3ccccc3)C(=O)[C@H]12 13830141 CCRXMTHZKHHYRR-CSGUBPAMSA-N 363.476 5.436 0 1 FKAF CC(C)CCCCCCCCCCCCCCCc1c(O)ccoc1=O 14490280 XEKYYIHOWASTHE-UHFFFAOYSA-N 364.570 7.005 0 1 FKAF endogenous,in-man COc1c2c(cc3c1[C@@H](OC)C[C@@H](c1ccccc1)O3)OC(C)(C)C=C2 14885786 GFVVFOVUYZBZJA-WMZOPIPTSA-N 352.430 5.091 0 1 FKAF biogenic CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Cl)cc23)C1(C)C 14975747 IJADFXIQDFOUAG-UHFFFAOYSA-N 373.924 5.586 0 1 FKAF C[C@@H](N[C@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1 40975935 UBCANUJMHQFBRX-YJYMSZOUSA-N 369.306 5.659 0 1 FKAF CCOC(=O)c1sc([C@H](C)Nc2ccccc2)nc1-c1ccccc1 45227819 RVTYUWXLHROOAR-AWEZNQCLSA-N 352.459 5.160 0 1 FKAF CC(C)(C)c1ccc([C@@H](O[C@H](CN)c2ccccc2)c2ccccc2)cc1 45391512 FUAZOBTVSMDITA-RPWUZVMVSA-N 359.513 5.790 0 1 FKAF CCCCc1ccc2nc(NC(=O)c3csc4ccccc34)sc2c1 72138063 UQSGBQKVRZDCNY-UHFFFAOYSA-N 366.511 6.106 0 1 FKAF Clc1ccc(-c2nc3ccccn3c2NC2CCCCC2)c(Cl)c1 72179255 XGLMOLBNKIOPPS-UHFFFAOYSA-N 360.288 6.053 0 1 FKAF NC1(c2ccc(-c3ncc4cccnc4c3-c3ccccc3)cc2)CCC1 84705465 JJYHGGFMSOGVHA-UHFFFAOYSA-N 351.453 5.302 0 1 FKAF N=C1Sc2cc(-c3ccccc3-c3ccccc3)ccc2C2=NCCCN12 95573227 BLSRNBQQPPFLNV-UHFFFAOYSA-N 369.493 5.513 0 1 FKAF CC(C)N(CCOc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)C(C)C 96282666 QEGIKSFQWDYIPY-UHFFFAOYSA-N 371.912 5.381 0 1 FKAF CN(Cc1nc(-c2ccccc2)c(-c2ccccc2)n1C)c1ccccc1 96914899 GTXPWTXKYDHPCI-UHFFFAOYSA-N 353.469 5.391 0 1 FKAF CN1[C@H]2CC[C@H]1CC(O[C@H](c1ccc(F)cc1)c1cccc(Cl)c1)C2 100834450 ISSICWWQXUMDRL-IRFCIJBXSA-N 359.872 5.210 0 1 FKAF C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@H]12 263638936 YBPMPRDOWHIVNA-OEEYOIQFSA-N 354.534 6.156 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1 586962754 HCLQHWQAVBHWLZ-SNVBAGLBSA-N 365.271 5.459 0 1 FKAF Cc1cc(Cc2nc3cc4ccccc4cc3[nH]2)ccc1Br 586978179 YOLARRDNFBOIKU-UHFFFAOYSA-N 351.247 5.378 0 1 FKAF Cc1cc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2cc1Cl 587012502 RZRIPYGDAPZTPB-UHFFFAOYSA-N 353.878 5.547 0 1 FKAF Clc1cc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2cc1Cl 587033107 SVDXGGOFFIDWTK-UHFFFAOYSA-N 374.296 5.878 0 1 FKAF Clc1ccccc1-c1cc(-c2nc3cnccc3[nH]2)c2ccccc2n1 587060758 UDZMAVJAFZHUPQ-UHFFFAOYSA-N 356.816 5.494 0 1 FKAF CC(C)Oc1ncccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107496 SSBICDZFGNBKCI-UHFFFAOYSA-N 366.420 5.295 0 1 FKAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(C(C)(C)C)cccc2[nH]1 587148265 HFLMWTQWFHIXQC-UHFFFAOYSA-N 366.415 5.206 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Sc1ccccc1)O2 587410037 KNHIMTHTEIORJE-FQEVSTJZSA-N 361.466 5.435 0 1 FKAF COc1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513776 ULLOJBYGUHLFGH-HSZRJFAPSA-N 373.452 5.071 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603103 KXIBBLGOUODVPA-OYSWKTHDSA-N 366.457 5.185 0 1 FKAF CC(C)(C)[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587605358 ZDPFNLRRISDXNP-YYDVJCTNSA-N 366.457 5.329 0 1 FKAF CC(C)C/C=C(\C(C)C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587818241 HAIKOJYFLCTOGE-JCPCDMFFSA-N 368.334 5.792 0 1 FKAF CC[C@@H]1CCC[C@H]([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 587823388 PJNPNHGNGXXSKL-YFQWEKLQSA-N 354.307 5.380 0 1 FKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587927342 PMKLICREFZUAEV-NSHDSACASA-N 365.260 5.429 0 1 FKAF CC(C)[C@]1(c2ccc(Cl)s2)NCCc2cc(-c3ccccc3)ccc21 962667811 MFVJPKHJOUNHMN-QFIPXVFZSA-N 367.945 6.114 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(Cc2cc(Cl)cc(Cl)c2)N1 962949498 FWFSBMZKJQXWGQ-IIBYNOLFSA-N 373.327 5.857 0 1 FKAF CC(C)c1cc2c(cc1-c1cscn1)[C@@]1(C)CCC[C@@](C)(CO)[C@@H]1CC2 1857567387 LONVXDXZKFLKAN-RJGXRXQPSA-N 369.574 5.936 0 1 FKAF Fc1ccccc1-c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 1857654881 LVFBZKVCTOEJHZ-UHFFFAOYSA-N 356.356 5.956 0 1 FKAF O=C(Nc1c2c(cc3c1CCC3)CCC2)N[C@H](c1ccccc1)C(F)(F)F 1911586647 YTWSDVRASDWHRV-LJQANCHMSA-N 374.406 5.089 0 1 FKAF O=C(NCC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773428 TVHNMRSTBCPUIO-UHFFFAOYSA-N 368.408 5.051 0 1 FKAF O=C(c1ccc(-c2ccccc2)cc1)N1Cc2cccn2Cc2ccccc21 1485613 KRCWRSQNQWOWBX-UHFFFAOYSA-N 364.448 5.364 0 1 FKAF O=C(NCC=C(c1ccccc1)c1ccccc1)c1ccc2ccccc2n1 13451895 XKYLMPGOKALNBB-UHFFFAOYSA-N 364.448 5.097 0 1 FKAF CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1(C)C 22938069 KMKBRLPCUKJMSX-PZJWPPBQSA-N 372.915 5.082 0 1 FKAF CCc1ccc(-c2nc3cc(C(=O)O)ccc3n2C2CCCCC2)s1 28093592 FZWSFPWJOVMPFX-UHFFFAOYSA-N 354.475 5.531 0 1 FKAF COc1ccccc1Nc1nnc2cc(-c3c(C)cccc3C)cc(C)c2n1 35906977 KDWPMSHIURZDIJ-UHFFFAOYSA-N 370.456 5.369 0 1 FKAF Brc1ccc2c3c([nH]c2c1)[C@@H](NCc1ccccc1)CCC3 40957251 KXBFWTYSHRXHFV-KRWDZBQOSA-N 355.279 5.098 0 1 FKAF CC(C)NCc1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1 45195683 XFTIOSZZXIYGNO-UHFFFAOYSA-N 359.448 5.534 0 1 FKAF C/C=C(/C)C(=O)O[C@@H]1C/C=C(\C)CCCC(C)(C)[C@@H](OC(C)=O)/C=C/1C 49113021 DJZAMDRFIUQAJH-CYVYWWETSA-N 362.510 5.289 0 1 FKAF Fc1ccccc1CCNc1cc(-c2cccc(-c3ccccc3)c2)ncn1 82160826 SNRJRZQUBROLPG-UHFFFAOYSA-N 369.443 5.604 0 1 FKAF CCCCCNc1ncnc2c1nc(-c1ccsc1)n2C[C@H](C)CC 82186482 VEDUNYBPWIUCNU-CQSZACIVSA-N 357.527 5.203 0 1 FKAF CN(C)c1ccc(Nc2nc(-c3c(Cl)cccc3Cl)cs2)cc1 103279074 WHDYQHGSCKOMDI-UHFFFAOYSA-N 364.301 5.927 0 1 FKAF CCCN(CC1CC1)c1ncnc(Nc2c(C)cc(C)cc2C)c1SC 169310335 CRFRLSQMEUWONY-UHFFFAOYSA-N 370.566 5.494 0 1 FKAF O=C(O)c1c(CCOc2cccc3ccccc23)c2cccc3c2n1CCC3 299852838 YELYDBRWUVIBSV-UHFFFAOYSA-N 371.436 5.060 0 1 FKAF COc1cc(/C=C/c2ccc(F)cc2F)c(C(=O)O)c(O)c1CC=C(C)C 473090606 WVJJSTACRDCAMR-AATRIKPKSA-N 374.383 5.056 0 1 FKAF CN(C(=O)c1ccncc1)c1ccc(OCc2ccc3ccccc3c2)cc1 473104902 PQSNSFSYTHWDID-UHFFFAOYSA-N 368.436 5.090 0 1 FKAF COc1cc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c2cc1F 586880982 QXWVBHLPQDACGT-UHFFFAOYSA-N 360.388 5.247 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587066142 JYRHDWNCRKVLPO-SSDOTTSWSA-N 358.722 5.221 0 1 FKAF Fc1c(Cl)cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1F 587073249 INHZJLHEFAXMNR-UHFFFAOYSA-N 353.199 5.422 0 1 FKAF C[C@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccccc1C(F)(F)F 587097784 NLGFHARUDYVRHM-ZETCQYMHSA-N 360.166 5.435 0 1 FKAF Fc1cc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1-c1ccccc1 587145174 GLTJJEGGTQNSNP-UHFFFAOYSA-N 372.230 5.662 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587161392 NFXDWVRJMJBAKH-NWDGAFQWSA-N 354.734 5.645 0 1 FKAF Fc1ccc2c(c1)C[C@H](c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)O2 587173696 GSOWPMUBFPLTJA-CYBMUJFWSA-N 356.706 5.050 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(Cl)c(Cl)c1)[C@@H](C2)C3=O 587424320 YWEJNDHOLWEZPH-DYZYQPBXSA-N 369.631 5.144 0 1 FKAF CC(C)=CC[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601230 FTLYTSSPFSESAC-OFNKIYASSA-N 364.441 5.249 0 1 FKAF Fc1ccc(-c2[nH]c3cc(F)ccc3c2-c2ccc(Cl)cc2Cl)cc1 587634470 GJNGIVOWOONTIN-UHFFFAOYSA-N 374.217 7.087 0 1 FKAF Fc1ccc2c(-c3ccc(F)c(F)c3)c(-c3ccc(Cl)cc3)[nH]c2c1 587634506 IAYDUOQOXBFGBU-UHFFFAOYSA-N 357.762 6.573 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(Br)c3)c(C(C)C)c2c1 587639294 QPUCCDYGVQITAL-AWEZNQCLSA-N 370.334 7.234 0 1 FKAF C[C@@H](C1CCCCC1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813523 OKGYKDZRLWMTNN-QHRIQVFBSA-N 368.334 5.554 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCc3ccccc32)N1 587818033 OSJUNILLWQCFJI-ZUOKHONESA-N 374.297 5.092 0 1 FKAF CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@@]1(C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587820582 ARKQMXRHIKPENP-CNAHBDDSSA-N 366.318 5.020 0 1 FKAF CSc1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587951382 ZDKJYOVFYUPBAE-KAMYIIQDSA-N 358.466 6.248 0 1 FKAF CC[C@@]1(c2cc(F)c(O)c(F)c2)NCCc2cc(-c3ccccc3)ccc21 962666460 MGURIUGNGIWYBB-QHCPKHFHSA-N 365.423 5.137 0 1 FKAF Cc1ccc(Oc2cccc(-c3ccc(OCCCC(=O)O)cc3)c2)cc1 1772632643 VMUBDMITNQFYMG-UHFFFAOYSA-N 362.425 5.698 0 1 FKAF CC1CCN(CCCCCCOc2cccc(-c3ccccc3)c2)CC1 1857565109 OBIIAQBZYQGXAL-UHFFFAOYSA-N 351.534 6.025 0 1 FKAF COc1ccc2[nH]c(-c3cccnc3-c3ccc(C(F)(F)F)cc3)nc2c1 1857616987 YBDVNTUSEDLRAX-UHFFFAOYSA-N 369.346 5.319 0 1 FKAF Cc1cccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c1 1857757018 MFBKZWLALLZSEJ-IBGZPJMESA-N 361.272 5.456 0 1 FKAF CC1=CC(=O)O[C@@](C)(C=CC=C(C)c2c(Cl)c(O)cc(O)c2Cl)C1 2356799993 POCKNPOBOYYAPB-SFHVURJKSA-N 369.244 5.016 0 1 FKAF Cn1nc(-c2ccccc2)c2c(-c3ccccc3)c3cc(Cl)ccc3nc21 1860699 IOCZGUZIDAVUOA-UHFFFAOYSA-N 369.855 6.109 0 1 FKAF CCCc1c(O[C@H](C(=O)O)c2ccccc2)c(Cl)cc2c(CC)noc12 13539302 WMHHNFBHKPBUTJ-KRWDZBQOSA-N 373.836 5.201 0 1 FKAF CC1=C(/C=C/C(C)=C/C(=O)N(C)c2ccc(C(=O)O)cc2)C(C)(C)CCC1 26819268 GRWNGRDXCWBPKK-AUIWOQIESA-N 367.489 5.377 0 1 FKAF CCCCCCc1ccc(O)c(C(=O)Nc2nc3ccccc3s2)c1 28248161 NWEQURVMMOZXIE-UHFFFAOYSA-N 354.475 5.377 0 1 FKAF c1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCCCC5)cc4)s3)nc2c1 45195108 RMQRVOJDMVVAKB-UHFFFAOYSA-N 373.525 5.944 0 1 FKAF C=C=CCCCOc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1O 45337771 XWNHQWMHDORVBC-UHFFFAOYSA-N 367.836 5.233 0 1 FKAF Cc1cc2c(cc1C)C(=O)O[C@](CCN(C)C)(c1ccc3ccccc3c1)C2 53247019 UCCGZCRQUKXQFI-VWLOTQADSA-N 373.496 5.017 0 1 FKAF COc1cccc(/C(O)=C2\C=Nc3nccc(-c4cc(F)cc(F)c4)c32)c1 100035995 HQMUBYFTZASKLP-ZZEZOPTASA-N 364.351 5.178 0 1 FKAF in-vivo CC1(C)CC2=Nc3ccccc3N[C@H](c3ccccc3C(=O)O)C2=C(O)C1 103521976 CABZFOGJALTUKH-HXUWFJFHSA-N 362.429 5.256 0 1 FKAF Clc1cccc(Oc2ccc(Nc3n[nH]c4cccnc34)cc2Cl)n1 146671002 ZRBKYHWWZGUHGE-UHFFFAOYSA-N 372.215 5.196 0 1 FKAF CCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 169295588 NSMKWGGRWAFJDI-DTGFYEJPSA-N 360.501 5.123 0 1 FKAF Cc1ccccc1[C@H](C[C@H](N=O)c1ccncc1)c1ccc(N(C)C)cc1 169730247 PJPNDEXWHMPNBM-PKTZIBPZSA-N 359.473 5.486 0 1 FKAF Cc1ccc(NC(=O)Nc2ncccc2OCc2ccccc2Cl)cc1 206947747 WICRURHTJKGIEQ-UHFFFAOYSA-N 367.836 5.266 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C\COc1ccc2oc(=O)ccc2c1 221612919 JAASWVRGXJPPHR-XZWCPNHQSA-N 366.501 6.591 0 1 FKAF Fc1cccc(-c2nc3ccc(Nc4ncnc5ccccc45)cc3[nH]2)c1 299826016 DTGBQGNYIIYLMW-UHFFFAOYSA-N 355.376 5.056 0 1 FKAF COc1ccc(-c2ccc(C(=O)N(C)c3cccc(C)c3)s2)cc1C 299839348 XZSRTLBXZVWNCR-UHFFFAOYSA-N 351.471 5.317 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(C)c(Cl)cc3[nH]2)c1 586879454 RJGZZGPSPXJIFL-UHFFFAOYSA-N 374.871 6.040 0 1 FKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 586885691 DBESZCYTXZHVHU-MEDUHNTESA-N 366.408 5.320 0 1 FKAF C/C(=C\c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991177 LKFOZTNAEDSHEM-FYWRMAATSA-N 363.416 5.712 0 1 FKAF Fc1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1F 587083481 WMWNPTMFHHWRLL-UHFFFAOYSA-N 350.155 5.363 0 1 FKAF Cc1ccnc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587097405 OQBZACPNYCOJEL-UHFFFAOYSA-N 350.421 5.049 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(F)cc(Br)c2[nH]1 587155031 ILWHAKFWASCCBO-CYBMUJFWSA-N 367.193 5.134 0 1 FKAF Cc1cnc(Cl)c2[nH]c(-c3cc(-c4ccc(F)cc4)n(C)c3C)nc12 587165519 CQAIRSYSLITWII-UHFFFAOYSA-N 354.816 5.040 0 1 FKAF O=C(c1cc(F)c(F)cc1Br)c1coc2ccc(Cl)cc12 587278237 KOZLHFINVMRCQW-UHFFFAOYSA-N 371.564 5.358 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c(C)ccc(C)c31)CC2=O 587476693 AEPHUZNKZDOJRX-HSZRJFAPSA-N 350.458 5.159 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccccc3C)c1)CC2=O 587486024 WRHFEYPDFLNGGW-XMMPIXPASA-N 372.464 6.027 0 1 FKAF C[C@@H]1Cc2cc(Cl)ccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587497920 CFHQKZWFMBEGKU-DMZKTXOQSA-N 352.861 5.272 0 1 FKAF Cc1cccc(C)c1-n1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587516453 SXCZLHJEWGXVTH-HSZRJFAPSA-N 371.480 5.679 0 1 FKAF Cc1cccc2c3c([nH]c12)[C@]1(CC3)CC(=O)c2ccc3c(c2O1)CCCC3 587523153 HCTMJUCSCPUELH-DEOSSOPVSA-N 357.453 5.162 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3c[nH]c4ccccc34)c(C(F)(F)F)c2c1 587640763 JCOYBCQRZYYNFQ-LBPRGKRZSA-N 356.391 6.849 0 1 FKAF CCOc1ccc(-c2[nH]c3ccc([C@H](C)CC)cc3c2CC(=O)O)cc1F 587643883 XZWAVTNKCDTYPJ-CYBMUJFWSA-N 369.436 5.513 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc4c(c3)OCO4)c2c1 587643987 ZZQAPIJIEFKIOQ-NSHDSACASA-N 371.383 5.579 0 1 FKAF COC[C@H](C)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587922982 KZEDUZPHUHTTKV-ZDUSSCGKSA-N 366.461 5.847 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587930169 DULYQDIPFCPRLX-UHFFFAOYSA-N 372.424 5.067 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4cccc(Cl)c4[nH]3)c2)c1 587931452 JCWSZXVRVDLZED-UHFFFAOYSA-N 350.805 5.265 0 1 FKAF Clc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1Cl 587949163 PFDFGRFBWQKILO-UHFFFAOYSA-N 369.251 6.253 0 1 FKAF Cc1cc2c(cc1F)[C@@H](c1ccc(N(C)c3ccccc3C)cc1)NCC2 962086760 AINKTZYNYNMDCY-XMMPIXPASA-N 360.476 5.446 0 1 FKAF Cc1ccc([C@H]2c3c(F)cccc3C[C@H]3CCCN32)c(Br)c1 963106148 QVFLEJLOBSZXTN-KUHUBIRLSA-N 360.270 5.007 0 1 FKAF Cc1c(F)ccc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)c1C(F)(F)F 963117589 XCUMOWYORNOWGX-YJYMSZOUSA-N 367.361 5.402 0 1 FKAF Cc1cccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c1 1857757019 MFBKZWLALLZSEJ-LJQANCHMSA-N 361.272 5.456 0 1 FKAF Cc1c(-c2ccc(O)cc2)n(CCOc2ccccc2)c2ccc(O)cc12 1911582292 VPIBZLDZIFEUBZ-UHFFFAOYSA-N 359.425 5.107 0 1 FKAF COc1cc(C=Cc2ccccc2)cc(O[C@@]2(C(C)C)CC=C(C)CC2)c1 2356477704 FHNNVZMWQSSCHB-VWLOTQADSA-N 362.513 6.769 0 1 FKAF CNc1nc2cnc(-c3cccc4ccccc34)cc2n1Cc1ccccc1 74387442 FVOLVTHERSFMNL-UHFFFAOYSA-N 364.452 5.342 0 3 FKAF CCOc1ccc([C@H]2c3c(ccc4ncccc34)N=C3CCCC(=O)[C@H]32)cc1 13524215 XYTRLGRKPXOCIJ-UPVQGACJSA-N 370.452 5.221 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC(C)(C)CC 38146694 LWMKFJMMWYARBR-CVLOBQTISA-N 373.625 7.437 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)c1cnccc1-2 45196050 NJJWRIIXAACDRY-HOTGVXAUSA-N 353.506 6.402 0 1 FKAF Nc1cc(Cc2ccccc2)nc(SCc2ccc3ccccc3c2)n1 49088069 KFMRTELFAHCMLI-UHFFFAOYSA-N 357.482 5.095 0 1 FKAF Clc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1Cl 66099968 XDBJAXHEOYTFTA-WOJBJXKFSA-N 363.332 5.184 0 1 FKAF CO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(C(C)C)cc1 82154644 NXXDNZRITZDJIU-PDGQHHTCSA-N 374.278 5.199 0 1 FKAF CC[C@H](C)Nc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccco2)n1 82166098 WLXQPWLJEHEIKG-AWEZNQCLSA-N 374.444 5.577 0 1 FKAF CCN(CC)CCC[C@H](C)N[C@@H](C)c1cc2c(cc1OC)OC(C)(C)C=C2 96932085 FGINLUYCGMNEEW-ROUUACIJSA-N 374.569 5.041 0 1 FKAF O=C1[C@@]2(CCC[C@]13C[C@@H]3c1ccc(Cl)cc1)C[C@@H]2c1ccc(Cl)cc1 169330280 IJLAVLPQDXPNGS-CZAYHTPWSA-N 371.307 6.394 0 1 FKAF O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCc2ccc3ccccc3c2O1 169348138 KLVGXTVKGCQYLD-SFHVURJKSA-N 372.251 5.479 0 1 FKAF CCCCn1c(-c2ccc(C)cc2C)cs/c1=N\C(=O)c1ccccc1 207576624 BNWIGNPQNIGBLC-FCQUAONHSA-N 364.514 5.375 0 1 FKAF c1ccc2c(c1)ccn2CCCCN1[C@H]2CC[C@H]1c1c([nH]c3ccccc13)C2 253673477 RLKBETCYPSXCSX-CYFREDJKSA-N 369.512 5.665 0 1 FKAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](N(C)C(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C 255278307 WWWDIYZWGZOIBA-YWOCSSPDSA-N 371.565 5.001 0 1 FKAF Cc1cc(Br)ccc1OCc1nc2cc(Cl)cc(F)c2[nH]1 586980994 IOZVISNILSHJTN-UHFFFAOYSA-N 369.621 5.005 0 1 FKAF CC(C)(C)c1cccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587047674 ADNRJVYOSPJYLG-VXGBXAGGSA-N 359.300 6.438 0 1 FKAF Oc1ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c1 587072409 VWIYGGNQOZXMDT-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF Fc1cc(C(F)(F)F)ccc1-c1nc2cccc(Br)c2[nH]1 587108600 DWZYDNHKGHSYBI-UHFFFAOYSA-N 359.120 5.150 0 1 FKAF Fc1cc(F)c2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c1 587136237 DXHCHIZPUUUQCO-UHFFFAOYSA-N 361.548 5.063 0 1 FKAF COc1ccc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c(F)c1 587148605 KXKZLXYCJMDNBE-UHFFFAOYSA-N 364.445 5.453 0 1 FKAF C[C@H]1[C@H](C)CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355003 PDLNMWXEDFICDF-NUGMEJGNSA-N 354.421 5.085 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(/C=C\c3ccccc3)cc1)O2 587406451 RBTUGHOZYHMYIM-XBKFQHLESA-N 355.437 5.454 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)c3ccccc13)CC2=O 587471974 NQGMUHZVYQNTLK-QHCPKHFHSA-N 364.416 5.518 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c3c(C)cc(C)cc13)CC2=O 587484420 OZANXZXFZDYQCU-HXUWFJFHSA-N 363.457 5.458 0 1 FKAF Cc1sc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1C(F)(F)F 587509416 SFZJKFUFMRICRM-AWEZNQCLSA-N 367.392 5.056 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)F)cc1 587556973 PNYUTZOBOQTLTK-YLJYHZDGSA-N 368.335 5.033 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(=O)C(F)F)c2c1 587643002 QQSQUYWHODWCGG-LLVKDONJSA-N 361.819 6.450 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(F)cc2)N1 587728269 AHLADZLPFVEPEV-PMLKMTPKSA-N 364.233 5.016 0 1 FKAF CC(C)C[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587819613 VRVMYCJNSMKHKB-CKFHNAJUSA-N 368.334 5.554 0 1 FKAF CC/C=C\CC/C=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821641 WRMRLMDCSPNHOR-CLNQWUIKSA-N 352.291 5.466 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 587936741 YTUOUAGVQQNVEU-UHFFFAOYSA-N 368.358 5.924 0 1 FKAF COc1ccc(Nc2nc(-c3ccc(-c4ccccn4)s3)cs2)nc1 621429214 FUZUNSCJVKXAOC-UHFFFAOYSA-N 366.471 5.081 0 1 FKAF CC[C@@H](C)c1ccc(-n2cccc2[C@H]2NCCc3ccc(F)c(C)c32)cc1 962087987 BXYWMKROIPFVEJ-VOIUYBSRSA-N 362.492 5.673 0 1 FKAF CSc1ccccc1[C@@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962695832 FVVWFDOGONPCLV-QVKFZJNVSA-N 373.562 5.175 0 1 FKAF COc1ccc2c(c1)[C@@H](C)[C@]1(CC2)c2ccc(C(F)(F)F)c3c2CCN31 962698392 HFWZDKBHRMGYGR-MPBGBICISA-N 359.391 5.035 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC[C@H](C)CCO 2356342152 KLGBTYNAYAZPFD-VWLOTQADSA-N 360.626 7.931 0 1 FKAF CCCCCCC(=O)CCCCCCCCC=CC(=O)N1CCCCC1 2356614070 GRKRIZFIWHHTAJ-UHFFFAOYSA-N 363.586 6.215 0 1 FKAF CC1=C[C@@H](OC(=O)C=Cc2ccccc2)[C@H](C(C)C)CCC(C)=CCC1 2356689035 WFXRZGNFMQPULF-XZOQPEGZSA-N 352.518 6.350 0 1 FKAF CCCCCC=CCCC(=O)OCC(=O)c1ccc(Br)cc1 2356689424 JCEAIQGYEXEJCO-UHFFFAOYSA-N 367.283 5.092 0 1 FKAF Clc1ccc2oc([C@@H](c3ccccc3)c3c[nH]c4ccccc34)cc2c1 2382230575 PXODDVYHXBJELT-QHCPKHFHSA-N 357.840 6.748 0 1 FKAF Cc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cc(O)ccc2n1 3786402 ZWIDPYBOEGLRGC-UHFFFAOYSA-N 374.419 5.294 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\COP(=O)(O)O 13507593 VHUBNUSXPIJYSG-KWBDAJKESA-N 370.470 6.241 0 1 FKAF in-vitro CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(C)C 13782505 JDJGPYKZQFCHTJ-GKFVBPDJSA-N 359.598 6.904 0 1 FKAF CCCN(CCC)CCCn1c2ccccc2c2nc3ccccc3nc21 31848208 QZNPRHBZVRBMFW-UHFFFAOYSA-N 360.505 5.250 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C 33820836 MHUPZGBELMNFET-HGZXIFPPSA-N 358.566 6.456 0 1 FKAF CCCCCCc1c2c(c(C)c3c1C(=O)SC3)Oc1ccccc1O2 40764329 MWFDZGYGVHHBDG-UHFFFAOYSA-N 354.471 6.403 0 1 FKAF O=C(c1ccc(-c2ccccc2Cl)cc1)N(CC1CC1)C[C@H]1CCCO1 40898238 NCHVKNFAPCWDJI-LJQANCHMSA-N 369.892 5.038 0 1 FKAF c1ccc(C(NCC2CCCCC2)(c2ccccc2)c2ccccc2)cc1 84690317 DBVLQGBTOWMTMJ-UHFFFAOYSA-N 355.525 6.148 0 1 FKAF C[C@@H](OC(=O)Nc1c(-c2ccc(F)cc2)cnn1C)c1ccccc1Cl 95573256 GHHHFOOMBYUUEO-GFCCVEGCSA-N 373.815 5.189 0 1 FKAF CCCCC/C=C\CCCCCCCCc1cc(=O)c2ccccc2n1C 95913686 MRCULLZMMHZIEL-FPLPWBNLSA-N 367.577 6.948 0 1 FKAF biogenic,in-vitro CCCCC/C=C\CCCCCC/C=C/C=C/C(=O)NCCCC(C)C 95914430 OQYWYNYZGPSILS-KVFRDMGPSA-N 361.614 7.128 0 1 FKAF biogenic,in-vitro O=C1c2cccc(Cl)c2/C(=C\c2ccccc2)c2cccc(Cl)c21 101841991 XZCJMHUAAXKRCW-VBKFSLOCSA-N 351.232 6.127 0 1 FKAF Clc1ccc(Nc2nc(-c3c(Cl)cccc3Cl)ns2)cc1 103276372 CTXODMXPYHKKOK-UHFFFAOYSA-N 356.665 5.909 0 1 FKAF CSc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1 103539140 PNMOWTORALSPDD-HXUWFJFHSA-N 361.470 5.430 0 1 FKAF Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)c1ccccc1 200029737 VYBROXOMGDYXBG-UHFFFAOYSA-N 357.840 6.095 0 1 FKAF COc1ccc(-c2cnc3c(-c4ccsc4)snc3c2)cc1OC 223129281 ZFMHTDKHSBIAEB-UHFFFAOYSA-N 354.456 5.104 0 1 FKAF CC(C)CCCCCCCCCCCCCCCCC[C@@H](O)C(=O)O 238757056 AVOKUFLHYISCSO-OAQYLSRUSA-N 356.591 6.720 0 1 FKAF Clc1cc(Br)cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586883966 FOBCIRRZNXKNKW-ACJLOTCBSA-N 373.681 5.350 0 1 FKAF Cc1ccnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 587040454 MSSBRMIVJHYGCH-UHFFFAOYSA-N 358.470 5.112 0 1 FKAF COc1cc(-c2nc3ccc(C(C)=O)cc3[nH]2)cc(Cl)c1OCC(C)C 587046626 YRLQVALXAFNRJC-UHFFFAOYSA-N 372.852 5.129 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(C)c(C)cc4[nH]3)ccc2F)cc1 587139737 SOQPOCBKYKWZAO-UHFFFAOYSA-N 358.416 5.855 0 1 FKAF Cc1cccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 587140782 FPVGBNSWVBBUIB-UHFFFAOYSA-N 366.436 6.109 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cncc(Cl)c4[nH]3)c(F)c2)c(F)c1 587149312 QLNACWFCOZBXBL-UHFFFAOYSA-N 371.774 5.232 0 1 FKAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(Cl)cc2[nH]1 587192104 QWCJUHZJVUVBFS-QGZVFWFLSA-N 371.868 5.173 0 1 FKAF CCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[C@@H](C)CC 587400102 NFGTXIYYNVOIOQ-OYHNWAKOSA-N 367.489 5.586 0 1 FKAF Cc1cccc(COc2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401741 XPQDEPAWRWWHTM-HSZRJFAPSA-N 373.452 5.171 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(F)cc(Cl)cc1F)CC2=O 587467212 RKXMMEGGFRJDCC-IBGZPJMESA-N 366.791 5.157 0 1 FKAF CC[C@]1(c2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587503952 KYJVMPYNVUOEFN-OAQYLSRUSA-N 358.840 5.629 0 1 FKAF C[C@@]1(Cc2ccc(F)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587507259 VHZFNLJNZRVNQL-OAQYLSRUSA-N 358.840 5.325 0 1 FKAF C[C@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614872 DHMNZVLOPWVHQU-NZQKXSOJSA-N 372.376 5.015 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)cn2)[nH]c2ccc([C@H](C)CC)cc12 587640780 JHTZRQUMIWPWJE-GFCCVEGCSA-N 356.853 5.574 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(F)(F)F)c2c1 587641171 KVCZPSAJEDDUPN-LLVKDONJSA-N 351.799 7.021 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2c1 587641894 KPHUHRKAGXWDGF-LBPRGKRZSA-N 374.406 6.261 0 1 FKAF Cc1ccccc1/C=C/[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817911 FLANSMGNPZKXTA-QWYCDTIGSA-N 360.270 5.185 0 1 FKAF FC(F)(F)c1ccc(-c2cncnc2-c2ccco2)c(C(F)(F)F)c1 653886954 QTHAHEGGSPADFL-UHFFFAOYSA-N 358.241 5.441 0 1 FKAF Clc1ccc([C@@H]2CCCCC[C@]23NCCc2nc4ccccn4c23)cc1 962981021 COCWTRVQQNZIFL-AVRDEDQJSA-N 365.908 5.077 0 1 FKAF CC(=O)O[C@@H]1CC[C@@H]2C(C(C)C)=CC[C@]2(C)[C@H]2C=C(C(=O)O)CCC2=C1C 2356307068 WVPBFHHEHAREER-SRUXOGRHSA-N 372.505 5.058 0 1 FKAF CNC[C@@H]1C[N@@]1C[C@@]12CC3=C(C)CC[C@@]3([C@H](C)CC13CCCC3)C2(C)C 2356492141 WRAPTTSOOBLOEP-SYDLEEHZSA-N 356.598 5.003 0 1 FKAF CC[C@H](C)CCC(C)=Cc1c(C)c(O)cc2c1[nH]c1c(O)ccc(CO)c12 2356725467 GBCTUBMADGTMFW-ZDUSSCGKSA-N 367.489 5.763 0 1 FKAF COc1cc(-n2cccc2-c2ccc3ccccc3c2)cc(OC)c1OC 2382218777 CHVKRPPMIIJLDH-UHFFFAOYSA-N 359.425 5.323 0 1 FKAF Clc1ccccc1Nc1nc(C(Cl)(Cl)Cl)nc2ccccc12 5776953 FGGVPMHJOTZZBE-UHFFFAOYSA-N 373.070 5.854 0 1 FKAF CC(C)c1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1-c1ccc(O)cc1 13558362 AYLPDYHDFOIEKI-UHFFFAOYSA-N 370.452 5.741 0 1 FKAF CC(C)=C1c2ccc(Cl)cc2C=C(N2CCN(C)CC2)c2ccccc21 13738221 QCJIDMPIJUWNKR-UHFFFAOYSA-N 364.920 5.241 0 1 FKAF Cc1cc(C)cc(COC[C@H](N)C2c3ccccc3CCc3ccccc32)c1 26267332 LBBONNCWIYRZAZ-VWLOTQADSA-N 371.524 5.078 0 1 FKAF COC(=O)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 32223603 MVNZWWOGXOULPM-BHDDXSALSA-N 354.619 7.405 0 1 FKAF biogenic O=C(O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1 205461076 URBVMCHIBNRDKB-UHFFFAOYSA-N 366.848 5.244 0 1 FKAF in-vitro Cc1c(Cc2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990836 HWPLIQQJPRCKOM-UHFFFAOYSA-N 351.405 5.051 0 1 FKAF Cc1ccc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586991450 MQVMAHRHQOULBZ-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF N=c1[nH]c(-c2cccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2)cs1 587020576 BWCXTEIBAXSKEB-UHFFFAOYSA-N 361.257 5.073 0 1 FKAF Cc1nccc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c12 587113696 XCRHAVNLQJTTFC-UHFFFAOYSA-N 369.346 5.744 0 1 FKAF Cc1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587151650 SLCDPYVNTZSHFJ-FQEVSTJZSA-N 350.368 5.318 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccc(Cl)c(C)c3[nH]1)CC2=O 587462628 PTKCKADEYIXANS-IBGZPJMESA-N 369.848 5.494 0 1 FKAF O=C1C[C@@]2(CCCNc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587499147 HREFOYLNGJDYAY-JOCHJYFZSA-N 367.876 5.285 0 1 FKAF Cc1ccc(OCC2CC2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587520768 BEGCXRRDOIRRDB-QHCPKHFHSA-N 362.469 5.369 0 1 FKAF CC(C)(C)c1ccc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)cc1 587633934 OWWLTAFJRDBCTD-UHFFFAOYSA-N 363.354 6.017 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587817747 ATAKSFXTICDOLC-DZDCQFRTSA-N 368.334 5.410 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC3CCC2CC3)N1 587819081 KXVAJPNSFYDGON-KUUZISLESA-N 366.318 5.164 0 1 FKAF c1coc(CN2CCc3sccc3[C@H]2c2ccccc2OCC2CC2)c1 962714898 RPOCECZDXJBALT-JOCHJYFZSA-N 365.498 5.278 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccsc2)(C2CCCC2)N1 962953812 WHQPCDCPAOXCJO-VGOFRKELSA-N 350.531 5.588 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]12CCc1ccc(-c3ccccc3)cc12 963226076 GLODHBFIXAYLAA-HRFSGMKKSA-N 367.536 6.200 0 1 FKAF CCC(=O)CCCCC[C@@H](Oc1ccc2ccccc2c1)c1ncc(C)[nH]1 1911585497 RCSMXPWVWHBAHD-JOCHJYFZSA-N 364.489 5.921 0 1 FKAF C[C@@H]1[C@@H]2CC[C@H]3[C@]4(C)CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356702902 AYYIATOVDZJSNR-SWTLENSFSA-N 370.625 5.200 0 1 FKAF CC(C)(C)NC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)CC4=O 36387888 NEOONGYNIJYGRY-PSKKVKECSA-N 373.581 5.273 0 3 FKAF CO[C@H](C1CCCCC1)[C@@H](C)/C=C/CC(=O)OCCCc1ccccc1 7992066 WFDPQRQYLWKFNQ-CDLAPJCCSA-N 358.522 5.340 0 1 FKAF CC[C@H](c1ccc(Cl)cc1)[C@@](C)(Oc1ccc(C(C)C)cc1)C(=O)O 13604912 CIUMPJTUWUVBKJ-TZIWHRDSSA-N 360.881 5.879 0 1 FKAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CNCCCCc1ccccc1)O2 13651351 UACDBZLFPCRZBA-XMMPIXPASA-N 367.533 5.014 0 1 FKAF CC1=C[C@@H]2c3cccc4[nH]c(SCc5ccccc5)c(c34)C[C@H]2N(C)C1 13826366 SJAUJNSECLPJMS-WIYYLYMNSA-N 360.526 5.360 0 1 FKAF CCCCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27556262 OBCLUYQALDBUAD-OIISXLGYSA-N 360.519 5.228 0 1 FKAF CC(C)c1nnc2ccc(Sc3ccc(F)cc3C(F)(F)F)cn12 35813966 VNVFXXCGIGQWMO-UHFFFAOYSA-N 355.360 5.162 0 1 FKAF COc1ccc([C@H]2Cc3ccccc3N=C(c3ccccc3)N2C)cc1OC 49649977 NJGQPGOPNFFSCP-OAQYLSRUSA-N 372.468 5.011 0 1 FKAF C/C=C/CCCCCCC[C@H]1[C@@H]2C[C@H]3C=C[C@@H](C(=O)OC)[C@@H]4C=C[C@H]1[C@H]2[C@@H]43 59085529 JBYCJIRPGDZNGC-SCEHXIMHSA-N 368.561 5.953 0 1 FKAF Oc1ccc(-c2cc(-c3ccsc3)nc(-c3cccc(Cl)c3)c2)cc1 95556148 SRVRFHKWJBIBNX-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF Cc1cc(=O)oc2cc(Oc3cc(Cl)nc4c(C)cccc34)ccc12 98082091 DTYWOEVDFAUQSV-UHFFFAOYSA-N 351.789 5.404 0 1 FKAF CN1[C@@H]2CC[C@@H]1[C@H](c1nc3ccccc3s1)[C@H](c1ccc(Cl)cc1)C2 100773486 VNCQCMIYVRPIMZ-YNVMFWSZSA-N 368.933 5.684 0 1 FKAF O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(F)c1)c1ccsc12 167769245 JAROFUYGVNWUAZ-UHFFFAOYSA-N 356.353 5.170 0 1 FKAF CCCCC1CCC(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC1 586888236 IHXWWUGMORUFCC-UHFFFAOYSA-N 360.811 5.441 0 1 FKAF C[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)-c2ccccc21 586989519 AJAKEZIOXJGQOA-ZDUSSCGKSA-N 363.416 5.478 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(F)c(N)c(F)c4)nc13)-c1ccccc1C2=O 586994659 BAFGNZNTSGZTGI-UHFFFAOYSA-N 372.374 5.282 0 1 FKAF Cc1nc(COc2cccc(-c3nc4cc(C)c(F)cc4[nH]3)c2)cs1 587020326 NMFZXYWZCQOZKP-UHFFFAOYSA-N 353.422 5.021 0 1 FKAF Clc1ccc(-n2cccc2)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587050940 SOBYZZBTCMDJGO-UHFFFAOYSA-N 363.635 5.376 0 1 FKAF Cc1cccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587060425 LTPAYSNKNABLFB-UHFFFAOYSA-N 369.855 6.407 0 1 FKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Cl)c(F)cc2[nH]1 587076607 XQHIBBZNXGWTCI-UHFFFAOYSA-N 361.207 5.170 0 1 FKAF Cc1cc(F)c2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2c1 587124661 KVNOAHYJEIFRRN-DAXSKMNVSA-N 352.356 5.793 0 1 FKAF C[C@@H]1CC(C)(C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587358436 YFOKAYNGHKFPEJ-HCVAFPHWSA-N 368.448 5.475 0 1 FKAF CC(C)C[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359134 ZOXMTKAWWDDADI-NZQKXSOJSA-N 370.464 5.721 0 1 FKAF O=C1C[C@@H](c2cc3cc(Cl)cnc3o2)Oc2c1ccc1c2CCCC1 587498445 INTXVTQTYOJTAB-SFHVURJKSA-N 353.805 5.067 0 1 FKAF O=C1C[C@@H](c2c(F)cccc2N2CCCC2)Oc2c1ccc1c2CCCC1 587501203 AVIYUDBNSODQMS-NRFANRHFSA-N 365.448 5.011 0 1 FKAF C[C@@]1(c2c(F)cc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501526 CEONQZHKGIRGQH-FQEVSTJZSA-N 362.803 5.378 0 1 FKAF O=C1C[C@H](c2c(F)cccc2OC(F)F)Oc2c1ccc1c2CCCC1 587505509 LLOZXTOOEJGDBP-QGZVFWFLSA-N 362.347 5.012 0 1 FKAF O=C1C[C@@H](c2ccccc2N2CCCCC2)Oc2c1ccc1c2CCCC1 587515869 WONHYRBCOCBCSW-QHCPKHFHSA-N 361.485 5.262 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c([C@@H]3CCCCN3C(=O)OC(C)(C)C)c(C)c2c1 587640502 ARIZATLDDLWRGB-QRWLVFNGSA-N 370.537 6.452 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(-c3ccc(Br)cc3F)c2c1 587642785 QEKANBMTNKZNSD-NSHDSACASA-N 360.270 6.558 0 1 FKAF CC(C)(C)[C@@H]1CCC[C@]2(CC1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962728352 DWRGJTVACUXVHN-OXFYSEKESA-N 367.455 5.154 0 1 FKAF Cc1ccc(Oc2ccc([C@@H]3c4c(F)cccc4C[C@@H]4CCCN43)cc2)cc1 963111080 QZGOKMZOIHJOIR-NBGIEHNGSA-N 373.471 6.036 0 1 FKAF CCN(C/C=C/c1ccc(C(F)(F)F)cc1)CC1=CO[C@@H]2C=CC=C[C@@H]12 1772581130 KEBGVFJLDWAFAY-MNVMYWNISA-N 361.407 5.065 0 1 FKAF Cc1cc(C)c2[nH]c(-c3cc4ccccc4n3Cc3ccccc3)nc2c1 1857634956 CMWRRVQSFNBEEV-UHFFFAOYSA-N 351.453 5.850 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(O)c3)nc3c2oc2cc(O)ccc23)cc1 1857755078 WHQQKAHMXDOGKP-UHFFFAOYSA-N 369.376 5.432 0 1 FKAF O=C1N(c2ccccc2C(F)(F)F)O[C@]1(c1ccccc1)C1CCCC1 36387693 QJMSPYGZEOTPPP-LJQANCHMSA-N 361.363 5.069 0 3 FKAF Fc1ccc(-c2nc3cc(F)c(Cl)cc3nc2-c2ccc(F)cc2)cc1 2950565 FGNREAYMKWQSCZ-UHFFFAOYSA-N 370.761 6.035 0 1 FKAF CCN(C(=O)c1ccc(C)cc1)c1cc(-c2ccccc2)sc1C(=O)O 3648493 IDKCAQJAGNTIHF-UHFFFAOYSA-N 365.454 5.088 0 1 FKAF O=C1[C@H](c2ccc(Cl)cc2)N(c2ccccc2)C(=O)N1c1ccccc1 13680125 RPBVVKHIJDHJOE-IBGZPJMESA-N 362.816 5.055 0 1 FKAF COc1cc2c(c3c1[C@H](OC)C[C@H](c1ccccc1)O3)C=COC2(C)C 14439345 BGZPWFYXIHPTOV-IEBWSBKVSA-N 352.430 5.143 0 1 FKAF biogenic O=C(c1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1)N1CCCCC1 28530917 XDUBYWAOYRGJSC-UHFFFAOYSA-N 366.244 5.117 0 1 FKAF c1ccc(-c2nc(NCC3CC3)ncc2-c2nc3ccccc3s2)cc1 82162676 RJVUQNBIEHHNRA-UHFFFAOYSA-N 358.470 5.242 0 1 FKAF CCC[C@]1(c2ccccc2)CC(O)=C(SCc2ccccc2)C(=O)O1 100363865 KBUFUWYZZGSWCK-OAQYLSRUSA-N 354.471 5.332 0 1 FKAF c1csc(C2(c3cccs3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)c1 100729136 LLQIOVDBZFGPAS-DENIHFKCSA-N 372.538 5.522 0 1 FKAF CC1(C)CCc2c(c3ccccc3c3nc(-c4ccccc4C#N)[nH]c23)O1 100941250 PKUVHEFKIHBKDH-UHFFFAOYSA-N 353.425 5.358 0 1 FKAF C[C@H](NC(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C)c1ccccc1 103196921 NIGLUZQDBWZGOF-INIZCTEOSA-N 352.522 6.164 0 1 FKAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 105027822 QBEFIFWEOSUTKV-KSZLIROESA-N 370.577 7.457 0 1 FKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 586885808 DHZDGHOOVOGOPH-ZHRRBRCNSA-N 374.509 5.860 0 1 FKAF Cc1c(-c2ccc(F)cn2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586997457 RSAGKYDLARKRGO-UHFFFAOYSA-N 354.384 5.264 0 1 FKAF CSc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587031931 CGVWGZCWGZCEQZ-UHFFFAOYSA-N 351.500 5.293 0 1 FKAF Cc1ccc2c3c(cc([C@H]4C[C@H]5C=C[C@H]4CC5)nc13)-c1ccccc1C2=O 587099866 WBTVAYGJEHICBW-FTRWYGJKSA-N 351.449 5.824 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H]([C@H]1CCOC1)CCC4)-c1ccccc1C2=O 587102325 VQXLBCHOPODEFD-JKSUJKDBSA-N 369.464 5.211 0 1 FKAF Cc1ccc(NC2(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)CCCC2)cc1 587237592 VFKLHBCJNJHRMM-UHFFFAOYSA-N 371.387 5.074 0 1 FKAF CC(C)C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354823 OVGUWOGGBNPYQV-IFMALSPDSA-N 356.437 5.331 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C(C)=O)CCC3)c1 587364817 DBXWPXXURFDKQE-QGZVFWFLSA-N 371.436 5.666 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)cc(Cl)c1F)O2 587383023 UUVZARDWXBRKLL-CQSZACIVSA-N 373.733 5.095 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ccccc3Cl)n1)O2 587412566 JFGIUKYCJINYCQ-KRWDZBQOSA-N 370.861 5.061 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccc(Cl)cc3[nH]1)CC2=O 587458577 AFCLOOOOBNFBGG-IBGZPJMESA-N 355.821 5.186 0 1 FKAF CC(C)[C@]1(COCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587527818 YVGUODWBRSJOJG-XMMPIXPASA-N 364.485 5.142 0 1 FKAF O=C1C[C@H](c2ccc(C3CCCCC3)s2)Oc2c1ccc1c2CCCC1 587532731 SGDUPPUBYFWDNM-HXUWFJFHSA-N 366.526 6.381 0 1 FKAF Cc1cccc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 587801059 CYFLQDNSHPCJSA-JEOXALJRSA-N 373.269 5.002 0 1 FKAF COc1cc(-c2ccccc2)c(OC)n1-c1ccc(O)c(-c2ccccc2)c1 587927273 SKLFNABRTNPGOK-UHFFFAOYSA-N 371.436 5.534 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(F)c(F)c3[nH]2)cc1 587938702 ZBOKSEUUHFCKQN-SFHVURJKSA-N 350.368 5.030 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C)cc(Br)c2[nH]1 587949979 HOMYJKBCOWFYMF-GHJWDPDVSA-N 365.315 5.680 0 1 FKAF ClC(Cl)(Cl)c1nc(OCc2ccccc2)c2ccccc2n1 653867736 FTLSBJUVOHEQSI-UHFFFAOYSA-N 353.636 5.036 0 1 FKAF N=C(N)c1ccc(-c2ccc(-c3cc(Cl)cc(Cl)c3)s2)s1 1857535017 BFXORVXHVFYDPL-UHFFFAOYSA-N 353.299 5.734 0 1 FKAF O=C(Nc1ccc(Sc2nc3ccccc3s2)cc1)c1ccccc1 1857648718 XGLYCHMPOUXKIP-UHFFFAOYSA-N 362.479 5.700 0 1 FKAF COc1cccc([C@@H]2Oc3ccc(F)cc3[C@@H]2c2ccc(F)c(F)c2)c1 1857748068 OGHWHJKXKKYJGE-SFTDATJTSA-N 356.343 5.378 0 1 FKAF CC(=O)O[C@@H]1C=C(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)O1 13452303 RKRFHXVVRCHNSV-PFMRHGRUSA-N 360.494 5.558 0 1 FKAF c1ccc(-c2cc(-c3ccccc3)[n+](-c3ncc[nH]3)c(-c3ccccc3)c2)cc1 13472122 OETDAOSNYJDQPY-UHFFFAOYSA-N 374.467 5.687 0 1 FKAF Sc1nc(-c2ccc(Cl)cc2Cl)nn1Cc1cccc(Cl)c1 13536899 NLSGPSLKBTYDDS-UHFFFAOYSA-N 370.692 5.242 0 1 FKAF COc1ccc2cnc(Nc3ccc(N4CCCC4)cc3)nc2c1C(C)C 14945380 AWFQXBDHAKLADX-UHFFFAOYSA-N 362.477 5.106 0 1 FKAF COC(=O)c1c(SC)cc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1 27524902 BLSBRWAMUPINHA-UHFFFAOYSA-N 370.420 5.807 0 1 FKAF CCCCSCSC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28014720 WQIBDBVSAJGYND-GVWOVYJOSA-N 372.596 5.205 0 1 FKAF COc1ccc([C@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccccc2)cc1 29568175 NCYJLENYYMZQHU-RPWUZVMVSA-N 371.480 5.422 0 1 FKAF CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1 34873561 ZUKHCFDOVYFUHP-HXUWFJFHSA-N 367.452 5.178 0 1 FKAF c1ccc([C@H](c2ccc(Nc3nc4ccccc4o3)cc2)n2ccnc2)cc1 34883844 XLJFOZXCVNHVRH-JOCHJYFZSA-N 366.424 5.406 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CCC4=C(C(F)(F)F)C(=O)CC[C@@]43C)[C@H]1CCC2=O 36189083 OMHOOFKINHBDCB-XTBHHOAESA-N 354.412 5.020 0 1 FKAF CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)nc1OCC 40975517 GVNGJNWIMGHEQM-UHFFFAOYSA-N 371.525 5.103 0 1 FKAF Nc1cc(N2CCCC2)nc2oc(-c3ccccc3)c(-c3ccccc3)c12 43009971 IHEKRMOMNGHRAB-UHFFFAOYSA-N 355.441 5.344 0 1 FKAF CCO[C@H](c1ccc2sccc2c1)[C@H](SC(C)(C)C)n1ccnc1 45364718 IUJKCXJHRZUPQZ-MSOLQXFVSA-N 360.548 5.906 0 1 FKAF CCCNc1ncc(-c2cc(-c3ccccc3F)nc(C3CC3)n2)s1 64540541 DNUROYISATUQEV-UHFFFAOYSA-N 354.454 5.106 0 1 FKAF CCCCCn1c(C2CC2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82197240 GAHABGUGVIZIJQ-MRXNPFEDSA-N 363.509 5.110 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)[C@@H](O)CC[C@H]21 96270791 GUZTXAUQPRPAHU-RDMFNCBLSA-N 358.566 6.232 0 1 FKAF Cc1ccc(COc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1 103189456 UCMVEWAKDVIGAF-UHFFFAOYSA-N 358.363 5.358 0 1 FKAF CCCCOC(=O)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 103230236 MHMJQCHCBPEFEA-KBAYOESNSA-N 372.505 5.450 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C\[Si](C)(C)C 195523157 FZQCYVJJIFPIPP-FMCUFLGXSA-N 370.609 5.413 0 1 FKAF COc1ccc(Sc2c(O)c(-c3cccnc3)cc3ccccc23)cc1 299828067 GTPNVAVYBGFRFR-UHFFFAOYSA-N 359.450 5.767 0 1 FKAF CC(C)(C)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048621 IXDNHPAJQPBSPI-CHWSQXEVSA-N 359.300 6.438 0 1 FKAF Clc1ccc(CC/C(=C\c2nc3cnncc3[nH]2)c2ccccc2)cc1 587073043 DMJOCCOIQBZVDF-SFQUDFHCSA-N 360.848 5.180 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@@H](CC(C)C)CC4)-c1ccccc1C2=O 587100291 FMSCBDFFUOIIBM-MRXNPFEDSA-N 355.481 5.906 0 1 FKAF Cc1nc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)s1 587101648 IGPGJHTXWAVLFE-UHFFFAOYSA-N 356.450 5.495 0 1 FKAF CC(C)(C)Oc1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(N)cc1F 587135656 ALAPOGGAIYRXTD-UHFFFAOYSA-N 367.346 5.147 0 1 FKAF Cc1cc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c2cc1C 587144969 PEEDXXBXHRNBJR-UHFFFAOYSA-N 374.415 5.659 0 1 FKAF COc1cccc(-c2cc(-c3ncccn3)nc3c2oc2ccccc23)c1 587363858 POTCHVOFBVOOAO-UHFFFAOYSA-N 353.381 5.114 0 1 FKAF CC[C@]1(c2ccc3cc(OC)ccc3c2)CC(=O)c2cc(C)cc(N)c2O1 587403790 RAAHWFVBLWDHPP-HSZRJFAPSA-N 361.441 5.010 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(Cl)cc1Cl)CC2=O 587459973 JQEZGYOPSKNWNB-GOSISDBHSA-N 365.256 5.666 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1CCCCF)CC2=O 587466880 PVNHDNGFYMKRRL-HSZRJFAPSA-N 370.464 5.518 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([C@@H](C)OCC)cc1)CC2=O 587478837 HJQUZPHPLJEUPA-IQMFZBJNSA-N 368.473 5.323 0 1 FKAF CC(C)(C)Oc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521737 JVTWFACCZFFBQU-NRFANRHFSA-N 350.458 5.449 0 1 FKAF O=C1C[C@]2(CCC[C@H](Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587528263 ZVRCWIZBLRSRBK-KBMIEXCESA-N 360.497 5.702 0 1 FKAF CC(C)CC[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604096 QWQHNICJZJXBQP-GRWTVWFQSA-N 366.457 5.329 0 1 FKAF O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2O)[nH]c2cc(F)ccc12 587632451 CFPRGQKTXIHESK-UHFFFAOYSA-N 365.791 5.564 0 1 FKAF CCCCCC1CCC(C(=O)n2ncc3ccc(Cl)cc3c2=O)CC1 587651722 DDCSGJPPHZWOIB-UHFFFAOYSA-N 360.885 5.077 0 1 FKAF CC[C@@H]1C[C@H](C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587823393 PKWFTSFGECOEGX-YVVSIOMPSA-N 354.307 5.164 0 1 FKAF Cc1cc2ccc(Cl)cc2nc1-n1nc2cc1Oc1ccc(F)cc1-2 587873718 ICQOBGOSNYAJMM-UHFFFAOYSA-N 351.768 5.294 0 1 FKAF CC(C)(C)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956355 YDHQUUFMMTZAND-OAQYLSRUSA-N 354.497 6.235 0 1 FKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)C1 587969378 OGOVYSNEPQPKRE-RKDXNWHRSA-N 356.695 5.304 0 1 FKAF Cc1c([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)sc(=S)n1C 962664397 NREMDWQJICULQR-OAQYLSRUSA-N 366.555 5.201 0 1 FKAF COc1cc([C@H]2C=CCC[C@H]2C=Cc2ccc(OC)c(OC)c2)ccc1O 2356482462 NNDAWFGRMQFDQC-HKUYNNGSSA-N 366.457 5.181 0 1 FKAF CC[C@@H](O)CCCCCCCCCCCCCCc1cc(O)cc(O)c1 2356793331 HFFWSCZVRYYHHC-OAQYLSRUSA-N 364.570 6.483 0 1 FKAF CC1(C)CCC(c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3F)cc2)CC1 13672557 CCTCISPYUXWOGO-UHFFFAOYSA-N 366.476 6.293 0 1 FKAF O=C(O)c1c(O)cccc1CCCCCCCCCCc1ccccc1 14503401 WZAFEDKVFOCUSD-UHFFFAOYSA-N 354.490 5.996 0 1 FKAF biogenic CCc1cccc(C[C@](C)(Oc2ccc(Cc3ccccc3)cc2)C(=O)O)c1 27526508 ANCSDHVQDISILV-VWLOTQADSA-N 374.480 5.305 0 1 FKAF C=C1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]3CC[C@](C)(OC(C)=O)[C@@]3(C)CC[C@@H]12 36323071 FBVIOYXUKJUFCN-MRUOYJSDSA-N 356.506 5.006 0 1 FKAF CCc1cc(-c2nnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)o2)cc(C)n1 43176439 FEHUPNMSXMQAKE-NVXWUHKLSA-N 365.502 5.335 0 1 FKAF CC(C)c1nnc2cc(Cl)c(Sc3ccc(F)cc3F)c(Cl)n12 45389589 FPTAFUWSKLBKGZ-UHFFFAOYSA-N 374.243 5.589 0 1 FKAF Fc1ccc(Oc2ccc(-c3cc4ccc(C5=NCCN5)cc4[nH]3)cc2)cc1 45392497 YOJFIPSJNBCJRD-UHFFFAOYSA-N 371.415 5.116 0 1 FKAF COc1ccc(-c2coc3cccc(OCC4CCCCC4)c3c2=O)cc1 49807638 FTHZXWUXRVTOSK-UHFFFAOYSA-N 364.441 5.428 0 1 FKAF CCc1nc(NC(CC)CC)c(F)nc1-c1ccc(Cl)cc1Cl 72142632 RHEAQBZSYUZEJR-UHFFFAOYSA-N 356.272 5.752 0 1 FKAF COc1ccc(-c2oc3ccc(C)cc3c2C(=O)c2ccc(O)cc2)cc1 72176870 LUMGTNRVDFCJSL-UHFFFAOYSA-N 358.393 5.353 0 1 FKAF COC(=O)C1=CN(Cc2ccccc2)C=C[C@@H]1c1cccc2ccccc12 95583760 ULJBJTXEMRDMKP-JOCHJYFZSA-N 355.437 5.010 0 1 FKAF COc1cc2ncnc(Nc3ccccc3-c3ccccc3)c2cc1OC 95586232 AUNZYOBZSLWVDM-UHFFFAOYSA-N 357.413 5.058 0 1 FKAF COc1ccc2c(c1)sc1c(Nc3ccc(F)c(Cl)c3)ncnc12 95596774 XXJAZPYSAAEYGZ-UHFFFAOYSA-N 359.813 5.389 0 1 FKAF COc1ccccc1NCCCOc1ccc(-c2cc3ccccc3[nH]2)cc1 103268177 QCLZPDYVQPTDAC-UHFFFAOYSA-N 372.468 5.725 0 1 FKAF COc1cc(F)cc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 218298657 XCOWRLQIVFOBMJ-QFIPXVFZSA-N 374.415 5.352 0 1 FKAF c1ccc(COc2cccc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c23)cc1 586892908 YBOOFCHYLHTJSD-NBGIEHNGSA-N 366.464 5.513 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(F)c(F)cc1C3 586987206 BNVLSSSATGSCFJ-UHFFFAOYSA-N 371.342 5.001 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4cc(Cl)ncc4[nH]3)c2o1 587003281 IDCJVNHIEWRVQR-UHFFFAOYSA-N 362.614 5.095 0 1 FKAF CCc1ccc(-c2nc(-c3nc4cccc(C(F)(F)F)c4[nH]3)cs2)cc1 587016034 NPZVNJOPHJESGJ-UHFFFAOYSA-N 373.403 5.935 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc[nH]c(=N)c2[nH]1 587070202 GOIPUQKQNOJQCA-PGAZBKHESA-N 373.287 5.043 0 1 FKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(Cl)cc2[nH]1 587149865 NTOWCXLIUWDBRV-IBGZPJMESA-N 351.812 5.557 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(F)c(C)c3[nH]2)c1 587195432 HHORSPFJUKZOOI-UHFFFAOYSA-N 369.440 5.357 0 1 FKAF Brc1c(-c2cc3c4c(cccc4n2)CC3)oc2ccccc12 587209619 USOIXCUQWPITSD-UHFFFAOYSA-N 350.215 5.509 0 1 FKAF Fc1cccc(COc2ccccc2-c2cc3c4c(cccc4n2)CC3)c1 587212109 CKOSHQFNBARUSP-UHFFFAOYSA-N 355.412 5.719 0 1 FKAF CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352893 KEAWBCAAVLLYAV-JTHBVZDNSA-N 362.400 5.196 0 1 FKAF Cc1cccc(COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587401260 VDSGWXGXCGMVSF-QHCPKHFHSA-N 373.452 5.171 0 1 FKAF Cc1cccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587511105 DLACKPKAXXXMPO-XMMPIXPASA-N 371.480 5.679 0 1 FKAF CC(C)c1nn(C(C)(C)C)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516971 YLRIESVSZSBOQU-HXUWFJFHSA-N 366.505 5.347 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C2CCC2)cc1 587603812 RUDOYFYSFLWMAA-QPPBQGQZSA-N 372.420 5.363 0 1 FKAF CC(=O)c1c(-c2ccncc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628579 VPLQJVKTNRSKSY-UHFFFAOYSA-N 372.268 5.470 0 1 FKAF Cc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2cc(Cl)c(F)cc12 587631194 XIXUWPRDRUYUIW-UHFFFAOYSA-N 352.840 6.155 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(-c3ccc(Cl)cc3)c2c1 587639693 BNFMMEVCTVSVFA-MRXNPFEDSA-N 359.900 7.669 0 1 FKAF CCc1cc(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587819704 MPLKDMFMEXZNJK-CWTRNNRKSA-N 362.286 5.083 0 1 FKAF Cc1ccc2oc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587831868 IUUUDOBWLUYNBI-WLRWDXFRSA-N 374.253 5.266 0 1 FKAF Cc1sc2c(c1C)CCN[C@]2(c1ccccc1C(F)(F)F)C(C)(C)C 963024023 MASKKBPHRJZFDG-IBGZPJMESA-N 367.480 5.819 0 1 FKAF Cc1ccc(Oc2ccc([C@H]3c4c(F)cccc4C[C@@H]4CCCN43)cc2)cc1 963111078 QZGOKMZOIHJOIR-CPJSRVTESA-N 373.471 6.036 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cccc(-c2ccc(C)cc2)c1 963228236 LEOQMOVEHWNKHI-FNZWTVRRSA-N 355.525 6.408 0 1 FKAF CC(C)C1([C@@H](O)CO)CCCCCCCCCCCCCCCCCC1 2356431018 ZAEPPNJAXSAXOU-QHCPKHFHSA-N 368.646 7.017 0 1 FKAF CC(C)=CCCC(C)=CCc1cccc(-c2coc3cc(O)ccc3c2=O)c1 2356583805 IIBWPPRAVZEHEB-UHFFFAOYSA-N 374.480 6.401 0 1 FKAF C[C@@H]1CN=C(c2ccc(Cl)cc2)c2c3ccc(C(F)(F)F)cc3nn21 206061378 WUWKLKAEUHFPDV-SNVBAGLBSA-N 363.770 5.121 0 3 FKAF O=C(NC1CCCCC1)Oc1cccc(-c2cccc(C(F)(F)F)c2)c1 13583464 JYZZPZMZPZIKIU-UHFFFAOYSA-N 363.379 5.794 0 1 FKAF Cc1c(C)n([C@H](C)Cc2ccccc2)c2nc(-c3ccccc3)nc(N)c12 27422011 NSOKVAJTIHTIMN-OAHLLOKOSA-N 356.473 5.101 0 1 FKAF O=C1/C(=C\c2ccncc2)c2ccccc2N1Cc1ccc2ccccc2c1 29124480 IBSRXOCXBHYYCQ-KQWNVCNZSA-N 362.432 5.322 0 1 FKAF O=C(O)c1cc2c(cc1O)-c1[nH]c3cc(-c4ccccc4)ccc3c1CC2 34893864 ZXPOAULTJDXXPJ-UHFFFAOYSA-N 355.393 5.004 0 1 FKAF Cc1ccc2c(c1)c(-c1ccnc3c(Cl)cccc13)c(C)n2CC(=O)O 36127000 IGAKOCYZIOYZOG-UHFFFAOYSA-N 364.832 5.211 0 1 FKAF Cc1ccc2nc(-c3ccc4ccccc4c3)c(NCc3ccccc3)n2c1 38345343 BQKJEGPNOWKTSQ-UHFFFAOYSA-N 363.464 6.075 0 1 FKAF Cc1cccc(Nc2nc(-c3ccncc3)c(CN3CCCCC3)s2)c1 45303330 AKIUIKUFELDAMJ-UHFFFAOYSA-N 364.518 5.243 0 1 FKAF CCOc1ccccc1-c1nc(CN(Cc2ccccc2)C(C)(C)C)co1 72181460 OBNXGWFFBDBUNA-UHFFFAOYSA-N 364.489 5.541 0 1 FKAF CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 105027819 QBEFIFWEOSUTKV-RCCFBDPRSA-N 370.577 7.457 0 1 FKAF Cc1ccccc1CCc1cc(Br)c(O)c(Br)c1 139448169 QWBMUOUOTUXMKG-UHFFFAOYSA-N 370.084 5.011 0 1 FKAF O=C(Nc1ccccc1)Nc1ccc(OC23CC4CC(CC(C4)C2)C3)cc1 169334553 OLYNOCQGFAAAGG-UHFFFAOYSA-N 362.473 5.678 0 1 FKAF C[C@H]1CCc2sc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)cc2C1 587034841 ZNDRVZZMPWUTPH-QMMMGPOBSA-N 354.372 5.574 0 1 FKAF Clc1cc(Br)cc2nc([C@H]3Cc4ccccc4S3)[nH]c12 587042448 JWFUUZSFFPDNRI-CYBMUJFWSA-N 365.683 5.368 0 1 FKAF FC1(F)Oc2cc3nc(/C=C/c4cccc(Cl)c4Cl)[nH]c3cc2O1 587055780 XNIPFDLRFOXRML-SNAWJCMRSA-N 369.154 5.362 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Cl)cc(Cl)c2[nH]1 587061922 LNMOLJIOGAMFCD-CYBMUJFWSA-N 355.652 6.053 0 1 FKAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccc(F)cc1 587103579 KPCZITCXMXWVSD-UHFFFAOYSA-N 367.379 5.011 0 1 FKAF CC(C)COC1=Cc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O 587105584 AENMFEAYVYGSIK-UHFFFAOYSA-N 355.437 5.406 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587114348 SJMNHCVYMIIWAZ-LBPRGKRZSA-N 361.411 5.620 0 1 FKAF CC(=O)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587125804 RNIBFLVHKLKLAK-WTKPLQERSA-N 362.376 5.548 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4c(Cl)ccnc4[nH]3)c2)c1 587160067 FBPHUTSYFDVFTK-UHFFFAOYSA-N 353.784 5.093 0 1 FKAF COc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1F 587164505 SOMBAFFHNLWVBW-ZROIWOOFSA-N 368.408 5.500 0 1 FKAF Cc1ccccc1[C@@H]1C[C@@H]1c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208691 XWZIHGDFYOVBEE-SFTDATJTSA-N 361.444 6.026 0 1 FKAF C[C@H](Oc1ccc(F)cc1Cl)C(=O)c1coc2ccc(Cl)cc12 587278522 IDWUWHZYKYICFF-VIFPVBQESA-N 353.176 5.529 0 1 FKAF COc1cccc(-c2cc(-c3cnc(C)s3)nc3c2oc2ccccc23)c1 587366722 PPKWRMFXKAZJJM-UHFFFAOYSA-N 372.449 6.089 0 1 FKAF O=C1C[C@@]2(CCCOc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587501546 OVYREVUAGUDWNX-JOCHJYFZSA-N 368.860 5.252 0 1 FKAF CCc1ccc(CC(C)(C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526116 QYOWIMUMBBUYIQ-HSZRJFAPSA-N 362.513 5.731 0 1 FKAF CC(C)[C@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601195 FSAHFWAENNPWAZ-NZQKXSOJSA-N 366.457 5.329 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCCCCCCC2 587605216 YJILXEOMLNHHDH-IBGZPJMESA-N 352.430 5.227 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C)CCCCCC2)N1 587818281 HKROFQVEMFBANL-YVEFUNNKSA-N 354.307 5.524 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccccc3[C@H]2C)N1 587819226 UKKVTPNALFUIOZ-IZDJOXEWSA-N 374.297 5.068 0 1 FKAF COc1cccc(-c2cccc(-n3c(OC)ccc3OC(C)(C)C)c2)c1 587927271 SIEAWILDSNTHMU-UHFFFAOYSA-N 351.446 5.339 0 1 FKAF Fc1ccccc1-c1cccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)c1 963108386 NWHMGOQIOPSHHJ-OAQYLSRUSA-N 372.270 6.035 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(C)(C)C)c1cccc(OC)c1 963235037 FKACSGZNTCKJKS-CLOONOSVSA-N 365.561 6.032 0 1 FKAF CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2C=O)cc1 1772588423 PCFXPVFDNHYUOK-CYBMUJFWSA-N 367.272 5.777 0 1 FKAF O=C1Nc2c(sc3ccc(Cl)cc23)[C@@H](c2ccc3ccccc3c2)N1 1857614510 DJFXXTVNLZRLDO-QGZVFWFLSA-N 364.857 5.932 0 1 FKAF CCCC1CCC2(CCCN2CCOC(=S)Nc2ccccc2)CC1 205709726 DOQNMCQOCLHAKF-UHFFFAOYSA-N 360.567 5.225 0 3 FKAF C[C@]12CCC3=C(CSC4=C3CSc3ccccc34)C1=CCCC2=O 1633826 ZUQQCKGJXYPCIS-NRFANRHFSA-N 352.524 5.636 0 1 FKAF CCCCC/C=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1 13605658 WWGDEVTWZFFPPI-NYAPKIOYSA-N 353.506 5.345 0 1 FKAF CC(C)O[C@@H]1C[C@H]2C(C)(C)CCC[C@@]2(C)c2ccc(O)c(C(C)C)c2O1 15195132 DQQSNOMAPLESJP-YDHSSHFGSA-N 360.538 6.133 0 1 FKAF biogenic CC(C)CCCCCCCCCCCCCc1cccc(O)c1C(=O)O 29219634 INJRDKYNWRETLO-UHFFFAOYSA-N 362.554 6.970 0 1 FKAF C[C@@H](Nc1ncc(-c2ccc(OC(F)(F)F)cc2)n1C)c1ccccc1 29334043 XZPPWTFAJUAMSQ-CYBMUJFWSA-N 361.367 5.159 0 1 FKAF CCO[C@H](c1cccc(Cl)c1)[C@@H](SC(C)(C)C)n1cnc(C)c1 45366958 FGZAOCWSFPMXJL-IAGOWNOFSA-N 352.931 5.653 0 1 FKAF c1ccc2c(CNCc3coc(-c4cccc5ccccc45)n3)cccc2c1 72102846 OLADQNJLZHPDED-UHFFFAOYSA-N 364.448 5.938 0 1 FKAF COc1ccccc1CNc1cc(Oc2ccc3ccccc3c2)ncn1 82068264 ZOWPMIHGNNQSCY-UHFFFAOYSA-N 357.413 5.043 0 1 FKAF COc1cccc([C@@H]2CC3=Nc4ccc(Cl)cc4SC3=C(O)C2)c1 100796282 ZHMKBYAPEBVHNQ-GFCCVEGCSA-N 357.862 5.874 0 1 FKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2c(Cl)cc(-c3ccccc3)cc21 144421274 SOKWTDDLIHQEAB-IBGZPJMESA-N 360.762 5.786 0 1 FKAF CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 169293811 WKJWFESSCHFAQW-LTDXUTRSSA-N 374.528 5.511 0 1 FKAF CCCO[C@]1(c2ccc(-c3ccccc3)cc2)CN(C)[C@H]2CCCC[C@@H]2O1 299810569 IZIGKCAJJSJZKU-KMDXXIMOSA-N 365.517 5.206 0 1 FKAF Clc1ccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)cc1 299824239 IAKFRZQEIVRIDD-UHFFFAOYSA-N 370.843 6.175 0 1 FKAF Fc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)o2)cc1 299835114 LROCKGSWCWCQKO-UHFFFAOYSA-N 359.360 5.208 0 1 FKAF Fc1ccc(CNc2nc(N3CCCCC3)nc3ccc(Cl)cc23)cc1 299835651 MGNDOJXLDDQZDV-UHFFFAOYSA-N 370.859 5.025 0 1 FKAF CC(C)(C)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979911 YDDFOBOZZNQVJV-UHFFFAOYSA-N 364.674 5.338 0 1 FKAF Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1F 586986459 MGYPSNNEZMXIES-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF CC1=CC[C@@H](c2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)C1(C)C 586992345 VQRRDGXUTKMEHH-KRWDZBQOSA-N 355.437 5.612 0 1 FKAF Cc1cc(C)c2nc(-c3ccc(CSc4nc(C)cs4)cc3)[nH]c2c1 587022547 YQLBTRYTRRJVIF-UHFFFAOYSA-N 365.527 5.904 0 1 FKAF FC(F)(F)c1cccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587052213 YPQCVWQCQPZKAF-IUCAKERBSA-N 371.189 6.160 0 1 FKAF Cc1c(F)cccc1Cc1cnc2cccc3c2c1-c1ccccc1C3=O 587104004 PNYYBNLEMGVZMX-UHFFFAOYSA-N 353.396 5.485 0 1 FKAF FC(F)(F)c1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1Cl 587109551 YCOFHCFWYQZTJY-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587169966 GTGLPPDPCMJSFB-JTQLQIEISA-N 370.371 5.496 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc4cc(O)ccc4c3)nc3cccc1c23 587206738 MEEFZMWKKWPYLM-UHFFFAOYSA-N 373.411 5.972 0 1 FKAF Cc1oc2c(c1C)-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587207309 RGWDSHYUIICSLR-UHFFFAOYSA-N 351.405 5.422 0 1 FKAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1Cl)(C(C)(C)C)[C@@H](C2)C3=O 587428450 ZKBVEIIERWGNMK-YCRPNKLZSA-N 374.839 5.177 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cccc(C)c3)c1)CC2=O 587477571 DFKQWWLNBPZHBC-DEOSSOPVSA-N 372.464 6.027 0 1 FKAF CCCn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587514001 CZYMNQUDHCJCBI-NRFANRHFSA-N 360.457 5.032 0 1 FKAF CCCC[C@@]1([C@H]2CCOC(C)(C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 587535934 PKWZKDQFSURLCM-UUOWRZLLSA-N 370.533 5.665 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2s1 587616935 HOALULSXQBSQQS-KNQAVFIVSA-N 374.417 5.310 0 1 FKAF CCc1[nH]c2cc(Cl)c(F)cc2c1Cc1ccc(Br)cc1 587628050 GIUKQFHQOYLEAX-UHFFFAOYSA-N 366.661 5.876 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(Cc1ccccc1)c1ccccn1 963232422 SIAMLNSSRFUSDO-CJFMBICVSA-N 356.513 5.225 0 1 FKAF Fc1ccc(CC[C@@H]2CN(Cc3ccc(Cl)cc3)CCC2(F)F)cc1 1772605840 IAQBHCHWTSYAPD-QGZVFWFLSA-N 367.842 5.569 0 1 FKAF Cc1ccc(S(=O)(=O)Oc2ccc(-c3ccc4occc4c3)cc2)cc1 1857579591 YHCRTROKSYQSRE-UHFFFAOYSA-N 364.422 5.176 0 1 FKAF O=[S@](Cc1ccccc1F)c1ccc2cc(Br)ccc2c1 1857655555 AYMHNNFDOALVQT-OAQYLSRUSA-N 363.251 5.049 0 1 FKAF COc1ccc([C@H](C)c2ccc3c(c2)Nc2ccccc2S3)cc1OC 2382226072 JQEZXLMXGFJLAZ-CQSZACIVSA-N 363.482 6.064 0 1 FKAF COc1cccc([C@@](C)(O)c2nc(-c3cccc(C(C)C)c3)cs2)c1 61930494 BBDSOEGCNZOTKX-OAQYLSRUSA-N 353.487 5.198 0 3 FKAF C[C@@]1([C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)CCC(=O)O1 245238341 KYUZKRJIOGSDGT-QYYYHGSSSA-N 372.549 5.022 0 3 FKAF aggregator CCc1nc2c(-c3ccc(Cl)nc3C)ccnc2n1[C@@H](CC)C1CC1 13487180 JYFDPOVFCSAFSJ-INIZCTEOSA-N 354.885 5.379 0 1 FKAF COc1ccccc1-c1ccc2c(c1)NC(=O)/C2=C\c1cc2c([nH]1)CCCC2 13809120 PFORQVNUDXKNNV-ZHZULCJRSA-N 370.452 5.062 0 1 FKAF CCCCC[C@H](c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 22941634 JQEVLYWMVMKITJ-BHIFYINESA-N 356.941 5.736 0 1 FKAF Clc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCCC3)n2)cc1 28470938 ZXJJNDGELJZYAQ-UHFFFAOYSA-N 374.875 5.546 0 1 FKAF CC(C)CCCCCCCCCCOC(=O)CCCCCNC(=O)O 29041668 RSODDHAKWSMMTM-UHFFFAOYSA-N 357.535 5.525 0 1 FKAF CCCCCC1=C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 39160440 CVUSXQYHSOFLCF-YGPPEJNESA-N 354.534 5.814 0 1 FKAF CCN(CC)Cc1cc(C)n(Nc2ccnc3cc(Cl)ccc23)c1C 40956395 ZCQJAXOTYHZSHR-UHFFFAOYSA-N 356.901 5.024 0 1 FKAF C[C@@H](NC(=O)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1)c1ccccc1 45260994 FKLXGULHDQPQHY-NSISKUIASA-N 360.457 5.103 0 1 FKAF Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2-c2nc(C)c(C)o2)c1 82167416 KNZPEVCUZVHWDG-UHFFFAOYSA-N 374.444 5.237 0 1 FKAF Cc1ccc([C@H](C)n2cc(-c3ccc4oc5ccccc5c4c3)nn2)cc1 103237895 LOKXJVUUPQQRAC-INIZCTEOSA-N 353.425 5.762 0 1 FKAF Clc1ccc([C@@H](NCc2ccccc2)c2ccc(-c3cn[nH]c3)cc2)cc1 103265795 FSVQYXOQASTJRX-QHCPKHFHSA-N 373.887 5.609 0 1 FKAF COc1ccc(C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@H]3[C@@H]2C3(C)C)cc1 103295098 PSEUVXLMKIAASF-LWAGWDPJSA-N 354.490 5.569 0 1 FKAF O=S(=O)(c1ccccc1)N(c1cc2ccccc2s1)C1CCCCC1 115234397 RSQTVEFSQGKSIP-UHFFFAOYSA-N 371.527 5.429 0 1 FKAF COc1ccc(-c2ccsc2-c2cc(OC)c(OC)c(OC)c2)cc1 137771573 MNZFMAGOKVXUPD-UHFFFAOYSA-N 356.443 5.117 0 1 FKAF Cc1cncc(C2=CC[C@H]3[C@@H]4CC(=O)[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)c1 141029626 UXKNOTFQXCROJD-GXPRYNMSSA-N 363.545 5.995 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3O)cc(-c3cccc(O)c3)n2)c1 299834528 YPCKEOPNKLWAKN-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF Fc1ccc(Oc2ccc(-c3noc(-c4c[nH]c5ncccc45)n3)cc2)cc1 299857087 CKVOMLNOAVWDHQ-UHFFFAOYSA-N 372.359 5.211 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc(O)c4F)nc13)-c1ccccc1C2=O 586994662 BCGXCNHDFMEVFO-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF Cc1ccc2c3c(c4c(nc13)Cc1ccc(F)cc1C4)-c1ccccc1C2=O 586995154 JDPKHRDMZSUTFJ-UHFFFAOYSA-N 365.407 5.389 0 1 FKAF Cc1onc(-c2nc3cc(Cl)ccc3[nH]2)c1COc1ccc(Cl)cc1 587076428 SKFGZZUPJSHRPP-UHFFFAOYSA-N 374.227 5.412 0 1 FKAF Cc1c(Cl)ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082273 MQBGOEMGKFCECE-UHFFFAOYSA-N 373.243 5.078 0 1 FKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(F)cc3[nH]2)c(F)c1 587145021 QRADWPCRMPBXNL-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF O=C1C[C@@]2(CS[C@H](c3cccs3)C2)Oc2c1ccc1c2CCCC1 587532998 SUWVJBLWQDGCRG-AZUAARDMSA-N 356.512 5.209 0 1 FKAF C[C@H]1CSc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587538112 NOYZEHBBVOHRBP-FPTDNZKUSA-N 350.483 5.168 0 1 FKAF CCCc1c(-c2cc(Br)ccc2F)[nH]c2cc(F)ccc12 587633524 GDHVYIJATQLKAY-UHFFFAOYSA-N 350.206 5.828 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CC2)(c2ccccc2)N1 587816204 VEYHJTRGSIMRCK-RNODOKPDSA-N 374.297 5.166 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2C2CCCC2)N1 587823904 SIXJGFCKXAMZOJ-PEELUZDISA-N 366.318 5.308 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3Cl)nc3c2Cc2ccccc2-3)c1 653738930 VQNTXRFHIMHAFH-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF Clc1cc(Cl)c2c(c1)[C@@H](c1ccccc1OC1CCCC1)NCC2 963110850 QNHQUYGNBMXIMF-HXUWFJFHSA-N 362.300 5.550 0 1 FKAF CCCN1[C@H](c2cccc(OC)c2O[C@@H](C)CC)c2ccccc2C[C@H]1C 963226819 HYCJODRSDZBAAT-STSQHVNTSA-N 367.533 5.619 0 1 FKAF Cc1ccc(C(=O)CCCCSc2ccc(C3=N[C@H](C)CO3)cc2)s1 1857586153 BFXYHZOJWADZSG-CQSZACIVSA-N 373.543 5.367 0 1 FKAF CC(C)=C1CC[C@H](C)[C@](C)(CCc2ccoc2)[C@@H]1CCC(=O)OC(C)C 2356610753 WXJSQSRTYFZBJE-ZEYPLWLESA-N 360.538 6.333 0 1 FKAF CCCCNC(=O)[C@]1(C)CCCCN1Cc1ccc(-c2ccccc2)cc1 61905731 UVOKMEOAGNWACZ-DEOSSOPVSA-N 364.533 5.015 0 3 FKAF C[C@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 13119892 XXNRZZXPXAFYRJ-KTEAYJLESA-N 357.497 5.328 0 1 FKAF C/C(=C(/Cl)C(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1 13488966 CPGFKGAVZKQYLK-UYRXBGFRSA-N 365.816 5.147 0 1 FKAF CCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(C(=O)OC)cc1-2 13814000 HYKNQHOOVGEYON-UHFFFAOYSA-N 352.474 5.845 0 1 FKAF O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1ccccc1Cl 26569704 DYTZQGFDLBNWKB-HNNXBMFYSA-N 368.839 5.140 0 1 FKAF CCCCC[C@H](/C=C/C=C\CCCCCCCCCC(=O)O)OC(C)=O 26580075 AYBGZVSRNGUYIC-TYFKSEDJSA-N 366.542 6.206 0 1 FKAF Cc1cc(CCCOc2c(C)cc(-c3ccc(F)c(C)c3)cc2C)on1 28711031 OPOCJEKVBVZMDB-UHFFFAOYSA-N 353.437 5.726 0 1 FKAF Cc1nc(Cl)c(-c2cccc(OC(F)(F)F)c2)c(NC2CCCC2)n1 28824776 SXWPCMHYFLLXMA-UHFFFAOYSA-N 371.790 5.359 0 1 FKAF Cc1cccc(-c2nc(NCC3CC3)ncc2-c2nc(C)c(C)s2)c1 82173088 QQMCHYNEKUERKF-UHFFFAOYSA-N 350.491 5.014 0 1 FKAF Cc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1Oc1ccccc1 95582587 AACNTOLCQZSBRY-UHFFFAOYSA-N 370.456 5.347 0 1 FKAF CCOc1ccccc1[C@H]1Nc2ccccc2N=C2CC(C)(C)CC(O)=C21 104693051 SEFZBHXHROKXHQ-JOCHJYFZSA-N 362.473 5.957 0 1 FKAF O=C(CCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccccc1 166276438 TVQPYEVOIJXMFC-UHFFFAOYSA-N 361.441 5.918 0 1 FKAF CC1(C)CCC(C)(C)c2cc([C@@H](N=O)c3ccc(C(=O)O)cc3)ccc21 169715898 GKFYAIMWLFGXOX-IBGZPJMESA-N 351.446 5.590 0 1 FKAF Cc1cnc2[nH]c([C@@H](Cc3cccc(Br)c3)CC(C)C)nc2c1 586982669 NZTMBHXRTKPTOZ-OAHLLOKOSA-N 372.310 5.401 0 1 FKAF Cc1ccc(/C=C\c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586990733 FZKPLWCYLHEUTJ-KHPPLWFESA-N 363.416 5.631 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](c1ccoc1)CCC3 586991970 RLMLWCYCJXNVTF-AWEZNQCLSA-N 367.404 5.213 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4nc(Cl)ccc4[nH]3)c21 587031595 TXFOZERBVPQUER-NSHDSACASA-N 368.893 5.570 0 1 FKAF Fc1cc2[nH]c([C@H]3SCCc4sccc43)nc2cc1C(F)(F)F 587036741 LHLNWHVPDNYEBI-ZDUSSCGKSA-N 358.385 5.161 0 1 FKAF Cc1cc(Cl)cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587050666 QNDNTPLQQVVISO-MNOVXSKESA-N 351.664 6.103 0 1 FKAF Fc1cnc(Cl)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc12 587051927 VIDXWOFJFCTZQF-BQBZGAKWSA-N 356.615 5.328 0 1 FKAF Cc1cnc(Cl)c2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c12 587077489 ZBQRHQYTASGICD-UHFFFAOYSA-N 371.227 5.008 0 1 FKAF Cc1[nH]c2ccccc2c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587095782 ARPFLTAYUNZBMK-UHFFFAOYSA-N 374.443 6.211 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1F 587151666 IDABSWLRKQEWEW-DTWKUNHWSA-N 372.724 5.784 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587161402 NHWSPFLFZYDEFI-RTBURBONSA-N 356.400 5.204 0 1 FKAF COc1cccc(-c2c(C)c(C(F)(F)F)nc3c2oc2ccccc23)c1 587358371 ANDQLJKRCYBVOC-UHFFFAOYSA-N 357.331 5.984 0 1 FKAF CCc1c([C@H](C)CC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587365242 IVAUXBBTCDOAIA-OAHLLOKOSA-N 359.469 6.733 0 1 FKAF CC[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587374681 IXMSOICPQQYBOZ-GOSISDBHSA-N 350.245 5.155 0 1 FKAF Cc1ccc(Sc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 587409609 ITFCZGGKXVUHAH-IBGZPJMESA-N 365.454 5.336 0 1 FKAF O=C1C[C@]2(CCCC[C@@H]2N2CCCCCC2)Oc2c1ccc1c2CCCC1 587514892 QCAYLUFLIKTHIG-UPVQGACJSA-N 367.533 5.088 0 1 FKAF C[C@@]1(c2cc(-c3ccccc3)no2)CC(=O)c2ccc3c(c2O1)CCCC3 587528001 VXGUPHHLVWPELW-QHCPKHFHSA-N 359.425 5.101 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 587564245 GYQWVGUBXREMSK-UHFFFAOYSA-N 362.395 5.848 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2Cl)N1 587701684 XOSMHJPETTXHMX-BMLIUANNSA-N 368.677 5.039 0 1 FKAF CC(C)CC[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814961 XDMZFBKRMJWILS-BFUOFWGJSA-N 370.350 5.800 0 1 FKAF COc1ccc(CCCc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1OC 587925354 MZQVSSLPFUZRNC-UHFFFAOYSA-N 352.478 5.053 0 1 FKAF CCOP(=O)(OCC)[C@H](CCCCc1ccccc1)CSC(C)=O 1772584486 PVQHNKSRLFOIFO-GOSISDBHSA-N 372.467 5.314 0 1 FKAF C[C@H]1C[C@H](C(=O)Nc2nc3c(F)c(F)c(F)cc3s2)CC(C)(C)C1 1857764901 JAEMOXLUSZYPQQ-IUCAKERBSA-N 356.413 5.115 0 1 FKAF CN(C)c1ccc2c(ccc(/C=C/c3c(Cl)cccc3Cl)[n+]2C)c1 1911578388 WKAUUVKASDUBJW-PKNBQFBNSA-N 358.292 5.208 0 1 FKAF COc1cc(C)c2c(c1)CC[C@](C)(CCC=C(C)CC=C[C@H](C)C(=O)O)O2 2356388039 OJGFGARWDJAVNO-SBUREZEXSA-N 372.505 5.481 0 1 FKAF COc1cccc([C@@](C)(O)c2nc(-c3ccc4ccccc4c3)cs2)c1 61898773 SVOCWELEDPWIQJ-JOCHJYFZSA-N 361.466 5.228 0 3 FKAF CN(C)C[C@H]1CCc2cc(NCc3ccc(-c4ccccc4)cc3)ccc2C1 72114395 OYEJDXFRODAUIU-NRFANRHFSA-N 370.540 5.632 0 1 FKAF CN(Cc1coc(-c2ccccc2Cl)n1)Cc1cccc2ccccc12 72184055 UVNKWHCSKRKOKA-UHFFFAOYSA-N 362.860 5.780 0 1 FKAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 78277554 UNJQRCXVHBZVTM-NVGGQSDBSA-N 351.534 5.479 0 1 FKAF C[C@H](CNc1cc(-c2cccc(-c3ccccc3)c2)ncn1)c1ccccc1 82161314 MEYVTSQTAXSFDW-LJQANCHMSA-N 365.480 6.026 0 1 FKAF CC[C@@H](C)Cn1c(C(C)C)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188714 CWERRRAGKSRBFJ-SJORKVTESA-N 365.525 5.211 0 1 FKAF CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccccn2)cc1 84708286 FKUJKWPWNIKWQV-IBGZPJMESA-N 369.512 5.830 0 1 FKAF c1ccc2c3nc(C4CCCC4)nc-3c(Nc3ccc4cc[nH]c4c3)[nH]c2c1 101412600 DQTVCJBEFLMTFZ-UHFFFAOYSA-N 367.456 5.945 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2c(Cl)cccc2Cl)CCC1 103921612 WRITYSVLZYXRBG-LJQANCHMSA-N 359.256 6.229 0 1 FKAF CCCCSc1nc([C@@H](C)c2c(F)cccc2Cl)c(CC)c(=O)[nH]1 169352219 WQLBZGXQLDSDEZ-NSHDSACASA-N 368.905 5.169 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2)nc2c1COc1ccccc1-2 473113328 FRLJEZWNPCATSU-UHFFFAOYSA-N 351.405 5.681 0 1 FKAF O=c1cc(/C=C/c2ccccc2)occ1Oc1c(Cl)cccc1Cl 473116721 XKVDGMWIECOUNT-MDZDMXLPSA-N 359.208 5.909 0 1 FKAF O=Cc1ccc(OCc2occc2-c2nc3cc4ccccc4cc3[nH]2)cc1 586901718 ZEGBRQHYZKMBDI-UHFFFAOYSA-N 368.392 5.368 0 1 FKAF Fc1cc(Cl)cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587052199 YJAZHXPPONJZCK-DTWKUNHWSA-N 355.627 5.933 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064671 LTXHBCPXUASTDO-UHFFFAOYSA-N 352.821 5.672 0 1 FKAF CCCCCCc1c(CC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099630 PWTZJWASMXLSDT-UHFFFAOYSA-N 357.497 6.440 0 1 FKAF FC(F)(F)c1cc(Br)c2[nH]c(C3(F)CCCCC3)nc2c1 587132487 QXQLDMIURJBTME-UHFFFAOYSA-N 365.168 5.473 0 1 FKAF Cc1cc(C)c2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 587192698 ZMNYOKPWHFSERI-IBGZPJMESA-N 365.477 5.136 0 1 FKAF COc1cccc(-c2cc([C@H]3CCCCC3=O)nc3c2oc2ccccc23)c1 587366405 MAVSHHQLOUJTIZ-QGZVFWFLSA-N 371.436 5.883 0 1 FKAF CC(C)(C)SC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370164 UWOFMOKWYYTSCO-RXVVDRJESA-N 374.477 5.181 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(-c3ccccc3)cc1)O2 587403857 SGHKQVZBHHPQSO-DEOSSOPVSA-N 357.453 5.211 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C)cc4)cc1)[C@@H](C2)C3=O 587446146 URXHOGIUSYBQMK-RDPSFJRHSA-N 356.421 5.159 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccc3ccncc13)CC2=O 587461081 JWEDKMMLNADIIJ-IBGZPJMESA-N 367.832 5.253 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccccc3F)o2)Oc2c1ccc1c2CCCC1 587505923 QULZPZMCJUHJTC-JOCHJYFZSA-N 362.400 5.671 0 1 FKAF CC(C)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn12 587518619 MOHNSTRVGPUZRP-HXUWFJFHSA-N 360.457 5.043 0 1 FKAF CC[C@]1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 587530101 AZIVCIAHLXTFKN-DNQXCXABSA-N 362.469 5.377 0 1 FKAF Cc1cc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)oc2cc1C 587533214 OYSRTSKFEJWPGE-DEOSSOPVSA-N 360.453 5.809 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC[C@H](c1ccccc1)C2 587605371 ZENIPNCBUPPLNB-XVWGUNQUSA-N 372.420 5.060 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccc(C)c3)c2c1 587642104 ONJMXXJDEFNUIJ-ZDUSSCGKSA-N 359.391 6.240 0 1 FKAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587816289 WAFKXVPEZRZOHD-ORAYPTAESA-N 362.286 5.003 0 1 FKAF CCCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587820756 QTDWRYZUPKZVFJ-HXPMCKFVSA-N 362.286 5.164 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3cccc(C(C)(C)C)c3[nH]2)cc1 587935215 HEMWGUKUXVBJBQ-JOCHJYFZSA-N 370.496 6.049 0 1 FKAF CCOc1cc(C=O)c(OCC)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587943765 PBEOXPBXHGLMJS-UHFFFAOYSA-N 371.383 5.032 0 1 FKAF CCCC[C@@H]1CCCC[C@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962693416 BORVGPJWWMBEEX-KGVIQGDOSA-N 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Cc1ccc(CC[C@@]2(c3ccc(C)cc3C)NCCc3ccc(O)cc32)cc1 963342687 RUHZMKPPZABMSB-SANMLTNESA-N 371.524 5.340 0 1 FKAF CC(C)=CCC=C(C)[C@H]1CC=C(C)CCC=C(CO)CCC=C(C)CC1 2356719980 MXTBBBIZYLWNIV-RUZDIDTESA-N 356.594 7.461 0 1 FKAF C[C@H]1CCC(=O)N([C@H](CSc2ccccc2)Cc2ccccc2)CC1 15935142 YSUQNWSQXCCJFU-ICSRJNTNSA-N 353.531 5.039 0 3 FKAF O=C(c1ccccc1)c1nc2ccc(Cl)cc2c2c1Cc1ccccc1-2 6578845 XSOHPQNWZGFDPR-UHFFFAOYSA-N 355.824 5.690 0 1 FKAF c1csc(CN(CCc2c[nH]c3ccccc23)Cc2cccs2)c1 71341148 VZPRVHWAOUDREB-UHFFFAOYSA-N 352.528 5.536 0 1 FKAF COc1ccc([C@]23Sc4ccccc4N=C2c2ccccc2C3=O)cc1 84723044 WPRUXSBBOYLJSQ-QFIPXVFZSA-N 357.434 5.014 0 1 FKAF COc1ccc(C(=O)O[C@@H]2C/C=C(\C)CCCC(C)(C)[C@H](O)/C=C/2C)cc1 87723322 UIBZVWWCDCGANN-SUYIDHSTSA-N 372.505 5.074 0 1 FKAF Cc1cc(N2[C@@H](C)CC[C@H]2C)nc(CCCCCCCCCCO)c1O 95553746 AURFUKHLZFVZBD-KDURUIRLSA-N 362.558 5.128 0 1 FKAF CSc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1 199852255 NHKINKUGDMROHT-UHFFFAOYSA-N 368.502 5.180 0 1 FKAF C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc2ccccc2c1 253917910 RBOGTOKHHDCLPU-FUJBWUKOSA-N 367.492 5.752 0 1 FKAF CCCCC1CCC(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC1 586891546 RSOMWSXLJCOLKD-UHFFFAOYSA-N 360.501 6.258 0 1 FKAF Cc1cc(F)c2nc(-c3noc(C)c3COc3ccccc3Cl)[nH]c2c1 587063281 JQBBMBREDVDKHT-UHFFFAOYSA-N 371.799 5.206 0 1 FKAF COc1cc(Cl)ccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587066175 HBAIELMANJWDPQ-UHFFFAOYSA-N 364.832 5.471 0 1 FKAF O=C(CCCc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(Cl)cn1 587082462 PVNXKGUFRSLINP-UHFFFAOYSA-N 368.651 5.124 0 1 FKAF Clc1cc(Cl)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 587083767 KMNMWALCHGHCJF-UHFFFAOYSA-N 374.658 6.252 0 1 FKAF COc1cccc2c1-c1nc3c(C)ccc4c3c(c1C2)-c1ccccc1C4=O 587098310 QHGOVGOWGBZFMF-UHFFFAOYSA-N 363.416 5.334 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587114410 TUZKWPUVNMHDNZ-JTQLQIEISA-N 372.312 5.947 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cc(C)c(F)cc4[nH]3)c(F)c2)c(F)c1 587152517 OVWHRTLLJVNCDP-UHFFFAOYSA-N 368.358 5.631 0 1 FKAF CCCCCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354587 NUNHLGHSRJDEQG-RBBKRZOGSA-N 356.437 5.619 0 1 FKAF COc1cccc(-c2cc(-c3ccc(O)cn3)nc3c2oc2ccccc23)c1 587363427 NBKOKJUDMYDMDG-UHFFFAOYSA-N 368.392 5.424 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cccc(Cl)c3nc1Cl)O2 587380210 QRRXIJULMMYSLX-MRXNPFEDSA-N 373.239 5.139 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(F)(F)F)cc1)(C(C)C)O2 587382012 MKUDUFKNUMRASK-LJQANCHMSA-N 363.379 5.113 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccccc1C)[C@@H](C2)C3=O 587443539 ASPDCFJASCCTQH-GBXCKJPGSA-N 356.421 5.159 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H]1C[C@@H]3C=C[C@H]1C3)CC2=O 587488338 IYNWSTIHFCOVGH-FSXKIHRRSA-N 374.480 5.418 0 1 FKAF Cc1cc(Cl)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587506632 NNVJPHJWUWLXCG-JOCHJYFZSA-N 354.877 5.716 0 1 FKAF Cc1ccccc1[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599807 HQWLVDLIEPRQTB-QPPBQGQZSA-N 374.436 5.214 0 1 FKAF Cc1nc2ccccc2c(Cl)c1Cc1c(C)[nH]c2ccc(F)c(Cl)c12 587628811 QMXCWMFZGTVRGW-UHFFFAOYSA-N 373.258 6.370 0 1 FKAF Cc1nc2c(C)cccc2c(Cl)c1Cc1c(C)[nH]c2cccc(F)c12 587633602 HXEMFQVPKXTLMB-UHFFFAOYSA-N 352.840 6.025 0 1 FKAF CC(C)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587815121 YPNGPSPSSPPCBO-DJJJIMSYSA-N 362.286 5.022 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587817753 ATAKSFXTICDOLC-XXZHDZSNSA-N 368.334 5.410 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2c2ccccc2)N1 587822438 KKDGCZGOMOKSFU-AUJRIZCKSA-N 374.297 5.285 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2cc(Cl)ncc2[nH]1 587956930 MJPZSNLRZYOUGU-UHFFFAOYSA-N 365.905 5.530 0 1 FKAF CC(C)=CCC/C(C)=C/c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587969582 ZWCSHRVFYYIQDF-YRNVUSSQSA-N 358.791 6.265 0 1 FKAF CC(C)=CCC[C@](C)(/C=C/c1ccc(O)cc1)/C=C/c1cccc(Cl)c1 653717557 UITHWCRCLABTAE-UMCURPRCSA-N 366.932 7.525 0 1 FKAF C[C@@H]1Cc2cc([C@]3(C)NCCc4cccc(-c5ccccc5)c43)ccc2O1 962669804 PBPANIJDFBQIIK-NSYGIPOTSA-N 355.481 5.086 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(C)(C)C)c1ccnc(Cl)c1 963241589 NAQMHUOSPVERTR-HXOBKFHXSA-N 370.968 6.071 0 1 FKAF O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)OCc1ccccc1 1857642650 KKRORGANRGGJDK-UHFFFAOYSA-N 371.358 6.121 0 1 FKAF COc1ccc2c(CN3CCCCC3)cn(CCCc3ccccc3)c2c1 1857748612 ZEPIBBJRJJLDKY-UHFFFAOYSA-N 362.517 5.269 0 1 FKAF CCO[C@H]1C[C@H](c2ccccc2)Oc2cc3c(c(OC)c21)C=CC(C)(C)O3 2356393421 JUEHBQGSIXIHCE-MJGOQNOKSA-N 366.457 5.481 0 1 FKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)C[C@]4(C)[C@H]3CC[C@]12C 2356476034 YPDLLJYJSWXQMO-ZVYPWOJPSA-N 372.637 7.287 0 1 FKAF CCCCCCN[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 61946525 JCVJZIOPZNIDLZ-ZXSZFVAWSA-N 373.625 5.849 0 3 FKAF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C=CC4=CC=CC[C@]4(C)[C@H]3CC[C@@]21C 1604079 QIKNIWLZQDIZOC-ZYUYTQNWSA-N 366.633 7.970 0 1 FKAF biogenic O=C(Oc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 3653681 BWTSONJQZUGZDC-UHFFFAOYSA-N 354.298 5.537 0 1 FKAF Cc1cccc(C)c1-c1cc2nnc(Nc3ccccc3)nc2c(C)c1C 37858315 SUWQAWLRFPYRIH-UHFFFAOYSA-N 354.457 5.669 0 1 FKAF COc1ccc(Cl)c(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1 40394957 BMVBQUQWGSGDIK-UHFFFAOYSA-N 370.865 5.172 0 1 FKAF CCC[C@@H](C)C(=O)[C@@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40424714 NRKZBOVABVDFTP-ZHRRBRCNSA-N 373.452 5.653 0 1 FKAF Cc1cc([C@@H]2[C@@H]3CC[C@H](C[C@@H]2c2ccc(Br)cc2)S3)on1 66100241 YEUFVHULUPJOQC-TXCZRRACSA-N 364.308 5.281 0 1 FKAF Fc1cccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3sccc23)c1 84617362 FVGBFIJGKRDTEZ-UHFFFAOYSA-N 361.405 5.117 0 1 FKAF CC[C@@H](C)CCC[C@@](C)(CCCC(C)C)[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 102191752 FHBMTRKEZPTTIQ-FXEFVXDJSA-N 350.675 8.744 0 1 FKAF COc1ccc([C@@H](c2ccc(F)cc2)c2c(O)ccc3ccccc23)cc1 103173157 VSBNFIPZVRTYHO-HSZRJFAPSA-N 358.412 5.873 0 1 FKAF CCC[C@H](C(=O)O)c1c(C)nc2sc(C)c(C)c2c1-c1ccc(C)cc1 113125295 DIWMRYVVECNBIS-KRWDZBQOSA-N 367.514 6.165 0 1 FKAF CSc1ccccc1NC(=O)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 165911504 VGBDETICKZXBTO-JCNLHEQBSA-N 374.481 5.059 0 1 FKAF CCCCOc1cc2nc(C(C)(C)CSC)[nH]c2cc1Br 586968568 FXUCZMGUSWUGFT-UHFFFAOYSA-N 371.344 5.145 0 1 FKAF Cc1nn(-c2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)c(C)c1Cl 587065800 YBFFICARVOUUBX-UHFFFAOYSA-N 357.244 5.339 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ncc(Cl)cc3F)nc3cccc1c23 587103205 HQLCRIAUNWPVRT-UHFFFAOYSA-N 360.775 5.301 0 1 FKAF Cc1c(Br)ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c12 587112202 QRNKAISHZHOLKJ-UHFFFAOYSA-N 355.157 5.320 0 1 FKAF FC(F)(F)Oc1ccc2c(-c3nc4cc5ccccc5cc4[nH]3)n[nH]c2c1 587127556 XDZRMGJSIWAUFA-UHFFFAOYSA-N 368.318 5.158 0 1 FKAF Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587348686 AMTHDMHLPWIXOM-GGAORHGYSA-N 362.400 5.114 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cc(C)c(Cl)c1C)CC2=O 587461757 SPUXRTGBUDDGDF-GOSISDBHSA-N 374.864 5.330 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccccc1)CC2=O 587485955 WJWYRGIAWZDTKZ-QHCPKHFHSA-N 358.437 5.718 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](CC(C)C)c1ccccc1)CC2=O 587490078 RJTFUJUUTUJOJE-SIKLNZKXSA-N 352.474 5.508 0 1 FKAF O=C1C[C@](Cc2ccccc2F)(C2CC2)Oc2c1ccc1c2CCCC1 587507303 VSYNAXBRNIQJMS-HSZRJFAPSA-N 350.433 5.061 0 1 FKAF C[C@@]1(c2ccc(-c3ccccc3)o2)CC(=O)c2ccc3c(c2O1)CCCC3 587534666 XCRUIDRHFQHCNJ-DEOSSOPVSA-N 358.437 5.706 0 1 FKAF Cc1cc(C)n(-c2c(-c3cccc(N)c3)[nH]c3ccc(F)c(Cl)c23)n1 587632319 UIKSXBTUVYGCJX-UHFFFAOYSA-N 354.816 5.012 0 1 FKAF CCCC/C=C\c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587965248 IQEYDZSQKPQMCY-WAYWQWQTSA-N 363.177 5.427 0 1 FKAF Cc1cc2c(cc1F)[C@](c1ccc(C(F)(F)F)cc1)(C(C)(C)C)NCC2 962089861 HZTCWATWWWGCCT-HXUWFJFHSA-N 365.414 5.588 0 1 FKAF CN(C)C(=O)c1ccc(OCCCCCC2CCC3(CCCO3)CC2)cc1 1857644929 SZKMWNPVSYCSDL-UHFFFAOYSA-N 373.537 5.067 0 1 FKAF CCC(=O)CCCCC[C@@H](Oc1ccc2ccccc2c1)c1ncc[nH]1 1911582755 VCLJNQCUZZVUPP-OAQYLSRUSA-N 350.462 5.613 0 1 FKAF CC(C=Cc1oc(=O)c2c(c1C)O[C@H](C)C2(C)C)=Cc1[nH]ccc1Cl 2356727149 IMYZEZLKASQAKN-CYBMUJFWSA-N 359.853 5.105 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 3978665 RPKLZQLYODPWTM-VIWNOXLKSA-N 360.582 6.536 0 1 FKAF C=CSCC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947075 JOULMFUYVRNSJC-RPHTVSPISA-N 356.531 5.254 0 1 FKAF CC1(C)CCc2cc3c(C(F)(F)F)cc(Br)nc3cc2N1 27332000 UMPQGGCUKWQNES-UHFFFAOYSA-N 359.189 5.153 0 1 FKAF CCN(CC)CCCNc1c2cc(C)ccc2nc2sc(SC)nc12 27734126 POVHHSSBPVYTRO-UHFFFAOYSA-N 374.579 5.019 0 1 FKAF O=C1C[C@@H](c2ccc(F)cc2)c2c(ccc3cc(Br)ccc23)O1 29136180 MFBNNSUDQGYIGG-INIZCTEOSA-N 371.205 5.182 0 1 FKAF C/C=C/C[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 29409658 BSJYFMFPTGYKFE-ROUKRRSUSA-N 361.485 6.369 0 1 FKAF Clc1ccc([C@@H]2C[C@@H]3Cc4ccc5ccccc5c4N2O3)c(Cl)c1 45483728 AXDXNAJDIXDGGR-KXBFYZLASA-N 356.252 5.954 0 1 FKAF O=C1c2ccccc2C(=O)N1CCCCCCCCCOc1ccccc1 58582487 OOXXDVZYPCYKSU-UHFFFAOYSA-N 365.473 5.092 0 1 FKAF Fc1cccc(F)c1-c1ccc2nc(C3=NOC4(CCCCC4)C3)[nH]c2c1 66113425 VJWBFYOHPWUTFJ-UHFFFAOYSA-N 367.399 5.335 0 1 FKAF CC(C)c1ccc(-c2cc(NCCCN(C)c3ccccc3)ncn2)cc1 82160413 LCPKYYHOWADWKB-UHFFFAOYSA-N 360.505 5.205 0 1 FKAF CCCCc1ccc(NC(=O)Nc2ccc([C@@H]3CCNC3)cc2)c(C)c1 117714197 VCARLUCRXTWZAH-LJQANCHMSA-N 351.494 5.059 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@]45C[C@H]4[C@@H](O)CC[C@]35C)[C@@H]1CC=C2c1cccnc1 141016755 GKUYVJJRTHIXJZ-QEGHZQCESA-N 363.545 5.479 0 1 FKAF C[C@@]12C=C(/C=C\CCc3ccco3)[C@@](C)(C1)[C@@H](CCc1ccco1)CC2=O 169352791 HSYVZZKTEPXIFY-IWHSEGMMSA-N 364.485 5.926 0 1 FKAF CC(C)=C[C@H](C/C(C)=C\Cc1ccc2cc[nH]c2c1)c1ccc2cc[nH]c2c1 238752063 ALEZJGJWOKXYLK-DOENUCRNSA-N 368.524 7.278 0 1 FKAF Clc1cc(Br)cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586886046 ZAURMFUOAQHVHK-OXKORPGDSA-N 365.702 5.447 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 586980499 UFSGVNOSMWIGBI-UHFFFAOYSA-N 363.686 5.943 0 1 FKAF Cc1c(-c2ccccc2Cl)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985390 GNHLSGDVOGZWFX-UHFFFAOYSA-N 371.823 5.781 0 1 FKAF CCc1c(-c2cccs2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586994488 UWBYWLZPXBHJTM-UHFFFAOYSA-N 357.434 5.443 0 1 FKAF COc1cc(-c2nc3cc(F)c(F)cc3[nH]2)cc(Cl)c1OCC(C)C 587045669 BENKVQPPYJDGEP-UHFFFAOYSA-N 366.795 5.205 0 1 FKAF Clc1ccccc1-c1ccc(Cc2nc3cc4ccccc4cc3[nH]2)cc1 587062595 HHQPSGNNKVBRAI-UHFFFAOYSA-N 368.867 6.627 0 1 FKAF Cc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cc1F 587077340 UZGPHQODSQJREG-UHFFFAOYSA-N 353.784 5.098 0 1 FKAF CC(C)(C)c1cccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587080399 PPMWEBUUFSZPEN-MRXNPFEDSA-N 366.896 5.238 0 1 FKAF CC/C=C\CC1=C(C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100361 HTWMPZIAZIYCQA-WAYWQWQTSA-N 365.476 6.441 0 1 FKAF CCc1c(-c2ccc(F)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587103965 LIAAVAYDLDVTJF-UHFFFAOYSA-N 353.396 5.815 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2n1 587165225 NCHKOROESYYVMM-UHFFFAOYSA-N 351.450 5.790 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C)c(Cl)c3)o1)O2 587373342 CQBNDEVNGSHKAK-HXUWFJFHSA-N 367.832 5.506 0 1 FKAF Cc1ccc(C[C@@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404013 SXUNMEAAGVTFRR-VWLOTQADSA-N 371.480 5.297 0 1 FKAF CCCCCC[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600163 MMTGZGOZPCNRLG-DENIHFKCSA-N 354.446 5.473 0 1 FKAF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C)cc(Cl)cc23)s1 587624609 PLCFXEVROYENLZ-UHFFFAOYSA-N 371.811 6.003 0 1 FKAF CC[C@H](C)c1ccc2[nH]c([C@H](C)NC(=O)OC(C)(C)C)c(CCCO)c2c1 587643659 VUCDTDBJHMDQQB-GJZGRUSLSA-N 374.525 5.192 0 1 FKAF CCOc1ccccc1OCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587780402 SAQVHZYVRMKGBW-UHFFFAOYSA-N 370.758 5.213 0 1 FKAF CC(C)C[C@H](C)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587815150 ZAKZITGBXFEONX-VEVIJQCQSA-N 356.323 5.410 0 1 FKAF CC(C)[C@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587818408 CZDJMZRDNKPUNA-RVZJWNSFSA-N 354.307 5.164 0 1 FKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(C)cc(Br)c2[nH]1 587932253 WSAQLPXNCDSDKM-DJJJIMSYSA-N 371.278 5.088 0 1 FKAF Cc1ccc([C@@]2(CCc3ccc(C)c(C)c3)NCCc3c(C)ccnc32)cc1 963088794 ORKGZJDENUAKPU-AREMUKBSSA-N 370.540 5.337 0 1 FKAF Cc1nc(-c2ccc(F)cc2)oc1-c1csc(Cc2ccccc2)n1 1772584398 KNIUNQHOXMBZCU-UHFFFAOYSA-N 350.418 5.503 0 1 FKAF COc1ccc(-c2cc3cc(C)ccc3c(-c3cccc(O)c3)n2)c(C)c1 1857771725 XOKFOQTXNILWJW-UHFFFAOYSA-N 355.437 5.900 0 1 FKAF CCC(=O)CCC(C)=CCCC(C)=CCCC=C[C@H](C)C[C@H](C)C(C)=O 2356475445 CLTCZDNSFUWVFV-VXKWHMMOSA-N 360.582 7.006 0 1 FKAF CC=Cc1cc(C)ccc1C(C)=CC(C)=CCCC[C@H](O)CNC(C)=O 2356643323 OZKSAMXSQQCGQT-QFIPXVFZSA-N 355.522 5.045 0 1 FKAF O=Cc1ccc(OCc2cccc(-c3ccccc3)c2Br)cc1 2382235487 DSPFXPZTXPLWLZ-UHFFFAOYSA-N 367.242 5.508 0 1 FKAF FC(F)(F)c1ccc(-c2cc(Oc3cccc4ncccc34)ncn2)cc1 14974088 FDQIQFBTUAZEDG-UHFFFAOYSA-N 367.330 5.503 0 1 FKAF O=C1OCc2c1cc1cc(OCc3ccccc3)ccc1c2-c1ccccc1 26169565 FPODESALKQRACY-UHFFFAOYSA-N 366.416 5.756 0 1 FKAF CCCCCc1cc2c(c3c1CCCO3)[C@H]1C[C@@H](O)CC[C@H]1C(C)(C)O2 26974740 QXPMAJJUKZJCEC-YTQUADARSA-N 358.522 5.160 0 1 FKAF Nc1ccc(-c2nc3cc(Oc4ccccc4)ccc3s2)cc1Cl 27084423 FKASPTSBFZSWJU-UHFFFAOYSA-N 352.846 5.991 0 1 FKAF CC[C@H](C)CNCCc1ccc2ccc(CCNC[C@H](C)CC)cc2c1 27655952 DRCDQROWAJCQKW-BGYRXZFFSA-N 354.582 5.196 0 1 FKAF CC[C@@]1(CCCNC)Cc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O 28528302 GWNCELRRXGHFMX-JOCHJYFZSA-N 370.924 5.265 0 1 FKAF O=C(Nc1ccccc1N1CCCCC1)c1ccc(Nc2ccccc2)o1 28960867 PSXOTQPOCOGENV-UHFFFAOYSA-N 361.445 5.266 0 1 FKAF Cc1cc(-c2cccc3c(C)c[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C 29043495 PCGWJSDLFYYVRR-ZDUSSCGKSA-N 352.909 6.803 0 1 FKAF Cc1ccc2c(-c3ccnc4cc(Cl)ccc34)c(C)n(CC(=O)O)c2c1 36127014 BBXFOTRWNRLFBT-UHFFFAOYSA-N 364.832 5.211 0 1 FKAF O=C(Nc1cc(-c2ccccc2)cc(-c2ccccc2)c1)NC1CCCC1 40900220 REYBBJQXAPOTAW-UHFFFAOYSA-N 356.469 6.085 0 1 FKAF Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1 49807552 MORGQZLXXVBLBF-UHFFFAOYSA-N 367.404 5.933 0 1 FKAF CSc1ccc(-c2cc(C[C@H]3CCCC3=O)ccc2[C@H](C)C(=O)O)cc1 72107435 SRAWWXJGKORRCF-WMLDXEAASA-N 368.498 5.175 0 1 FKAF Clc1cccc(CNc2cc(Oc3ccc4ccccc4c3)ncn2)c1 82067796 VTPAMFFVBNFFSF-UHFFFAOYSA-N 361.832 5.688 0 1 FKAF Cc1ccc(Nc2nnc(-c3ccc4c(c3)OCO4)c3ccccc23)cc1 95597429 GWFDMAAWEVLFCR-UHFFFAOYSA-N 355.397 5.078 0 1 FKAF CCCCC/C=C\CCCCCCCc1cc(=O)c2ccccc2n1C 95913702 DCLPWWXNFDNSMW-FPLPWBNLSA-N 353.550 6.558 0 1 FKAF biogenic,in-vitro Cc1[nH]c(C)c([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)c(=O)c1Cl 101671390 KAXKBGORPSMNKI-OTVXOJSOSA-N 350.289 5.740 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CCN4C(=O)CCCC[C@]34C)[C@@H]1CC=C2c1cccnc1 144114634 LEYLRGXRQCFECS-KXYIPDGISA-N 364.533 5.082 0 1 FKAF CCC[C@@H]1CCCC/C=C/CCCC(=O)OCCN1C(=O)OC(C)(C)C 169300551 XSXBVWWVGPNFHH-JHTBKMLMSA-N 367.530 5.236 0 1 FKAF COc1ccc(Nc2cc(Oc3c(C)cc(C)cc3C)n3nccc3n2)cc1 169310074 DDBCZSGYALVWHA-UHFFFAOYSA-N 374.444 5.199 0 1 FKAF CC(=O)Nc1ccc(-c2c(C)c(CC(=O)O)cc3ccc(Cl)cc23)cc1 205731452 SSBFGVGGTSKDIK-UHFFFAOYSA-N 367.832 5.054 0 1 FKAF CC[C@H](C)CCCCCCCCCCCCCCCCc1ccccc1 212289282 NONIUUZEGFKBED-VWLOTQADSA-N 358.654 9.127 0 1 FKAF CCSC[C@H]([C@H](OC)c1ccc(Cl)cc1)n1cnc2ccccc21 473108714 OGTKPBIJDMDGTA-RTBURBONSA-N 360.910 5.372 0 1 FKAF CCCC1(c2nc3cc(OC(C)C)c(Br)cc3[nH]2)CCC1 586877637 IILPHDMHFRPKSD-UHFFFAOYSA-N 351.288 5.334 0 1 FKAF Cc1cc(F)c2nc(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)[nH]c2c1 586878325 CREAKVHIVDHGDV-UHFFFAOYSA-N 360.388 5.351 0 1 FKAF Cc1nc(C2CC2)sc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587012708 SENKYZQZOMNVDI-UHFFFAOYSA-N 361.470 5.451 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cnc3ccccc3c2[nH]1 587012954 VYOBSOOSRMMSJR-UHFFFAOYSA-N 356.454 5.134 0 1 FKAF COc1ccc2nc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)sc2c1 587034516 GXYYAQDPDXNQII-UHFFFAOYSA-N 350.230 5.155 0 1 FKAF COc1cccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587040400 KWBKSMMSCMDBHX-UHFFFAOYSA-N 373.481 5.417 0 1 FKAF Clc1cc(Cl)cc(-c2cncc(-c3nc4ccc(Cl)cc4[nH]3)c2)c1 587068130 ZQGBQIDFKVRZQE-UHFFFAOYSA-N 374.658 6.252 0 1 FKAF CC(C)(C)c1cccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587077792 XXYMBQMLNLGBNF-LJQANCHMSA-N 367.924 5.851 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587081415 VMUXZCANDNVETG-FQEVSTJZSA-N 374.827 5.124 0 1 FKAF Cc1cc(Br)cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587085258 OZFZPFOQJCFXEV-UHFFFAOYSA-N 372.653 5.502 0 1 FKAF Cc1cc(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(O)c1 587100740 HDDHKYLMNLJUFF-UHFFFAOYSA-N 367.404 5.141 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2ccc(Br)c(C)c2[nH]1 587154619 GAZXXBRPPSHSKO-AWEZNQCLSA-N 363.230 5.303 0 1 FKAF Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587378726 WHKIJYZZRJOYGT-FPOVZHCZSA-N 368.429 5.176 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CSC(F)F)o1)CC2=O 587468403 WZHFXULZCMNHNL-MRXNPFEDSA-N 368.401 5.100 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@](C)(c3ccccc3)C1)CC2=O 587484579 STGUBMOCIXFLQH-DHIUTWEWSA-N 350.458 5.191 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1C(F)F 587552689 BINSPEZOEMFGAK-YLJYHZDGSA-N 368.335 5.033 0 1 FKAF CC(C)C1CCC([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587822255 JOGCTHYJTRAVPO-HKWLTPLLSA-N 368.334 5.626 0 1 FKAF COc1cccc(C2(c3nc4ccc(C(F)(F)F)cc4[nH]3)CCCC2)c1 587932054 VTTRMQNYHXDFTM-UHFFFAOYSA-N 360.379 5.450 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(Br)cc(F)c2[nH]1 587950284 AQQNQKSAAJHPCE-WBIUFABUSA-N 369.278 5.511 0 1 FKAF c1ccc(Cc2nc3cc4cccnc4cc3n2CC2CCCCC2)cc1 653758707 SNAQTJWQFSAWIF-UHFFFAOYSA-N 355.485 5.756 0 1 FKAF CCOc1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc1OCC 962664032 FNUKNXOPIJVKHT-VWLOTQADSA-N 373.496 5.386 0 1 FKAF C[C@H]1Cc2cc([C@@]3(C)NCCc4cccc(-c5ccccc5)c43)ccc2O1 962669806 PBPANIJDFBQIIK-SSOJOUAXSA-N 355.481 5.086 0 1 FKAF CCCC[C@@H]1CCCC[C@@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962693403 BORVGPJWWMBEEX-FGSXEWAUSA-N 361.570 5.765 0 1 FKAF Clc1cccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)c1Cl 1772615639 PPMFWBQCZADACZ-HXUWFJFHSA-N 367.279 6.349 0 1 FKAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccc(Cl)cc2Cl)n1 1857559977 VQSGBUFUCPHQEV-UHFFFAOYSA-N 360.196 5.157 0 1 FKAF Cc1cc(Cc2cc(O)cc(NC(=O)C3CCCCC3)c2)cc(C)c1C 1857774345 FGXIZTJXLCZFDN-UHFFFAOYSA-N 351.490 5.427 0 1 FKAF CCC1=C[C@H](c2ccccc2)[C@](C=C(C)C(=O)O)(CC)[C@@H]2[C@H](C)C[C@H](C)[C@@H]12 2356762138 CCCHOLIIPIWUMK-GGOQNERYSA-N 366.545 6.456 0 1 FKAF CSc1ccc(O[C@]2(C)CCN(Cc3ccc(OC(C)C)cc3)C2)cc1 61930944 FIKZJIWUAJZKSS-JOCHJYFZSA-N 371.546 5.239 0 3 FKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(CCc2ccccc2)cc1O 13458933 WTWZFOPHJSERHR-XDHOZWIPSA-N 350.502 6.118 0 1 FKAF CN1Cc2ccccc2[C@@](C)(c2ccccc2)N=C1CCc1ccccc1 13600307 SRQISTJWHGAPAQ-RUZDIDTESA-N 354.497 5.427 0 1 FKAF COc1cccc2c(Nc3ccccc3C)nc(NCc3ccccc3)nc12 13742279 PCQJXRDEAFIJRD-UHFFFAOYSA-N 370.456 5.303 0 1 FKAF CC(C)=CCC[C@](C)(/C=C/c1ccc(O)cc1)/C=C/c1ccc(F)cc1 53293676 DKNMUVRHGPYVSU-SUBODWTQSA-N 350.477 7.011 0 1 FKAF C[C@]1(O)C[C@H]2CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)C1 169275838 JWKDQOYWIWZKKH-PJPMTARFSA-N 351.534 5.479 0 1 FKAF O[C@H](C[C@H]1CCCCN1)c1cc(-c2ccccc2)nc2cc(Cl)ccc12 169334649 MPCWZYMRZKKBIE-VGOFRKELSA-N 366.892 5.121 0 1 FKAF COc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](N1CCCC1)CC2 199682898 FTDOGARXMALEGF-YADHBBJMSA-N 355.909 5.086 0 1 FKAF CSc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc2c1 586879553 KONRRRYIDSNNBJ-UHFFFAOYSA-N 374.465 5.625 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586962863 IGCFXLDUQMMCFL-SNVBAGLBSA-N 370.827 6.230 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(F)c(Cl)c4)nc13)-c1ccccc1C2=O 586995430 KGIMUYXKMZCYLX-UHFFFAOYSA-N 373.814 6.214 0 1 FKAF Fc1cc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2cc1Cl 587017323 JGWUGEBDPHAJOF-UHFFFAOYSA-N 371.824 5.081 0 1 FKAF Cc1oc(-c2ccsc2)nc1Cc1nc2cccc(C(F)(F)F)c2[nH]1 587027639 YJWHDQWUYCCMFK-UHFFFAOYSA-N 363.364 5.197 0 1 FKAF FC(F)(F)c1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cn1 587076628 KXJCWMJUUUTONG-UHFFFAOYSA-N 374.753 5.359 0 1 FKAF CCc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)s1 587102953 SXVJZMWHXRRMLR-UHFFFAOYSA-N 355.462 6.046 0 1 FKAF Cc1c(Cl)ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 587120568 PDXCAZHCEKTTJZ-UHFFFAOYSA-N 350.731 5.087 0 1 FKAF Cc1cnc(Cl)c2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc12 587163356 HYQKMBODFHVDRP-ZROIWOOFSA-N 369.852 5.709 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cccnc4NCc4ccccc4)[nH]c32)n1 587229208 BPWQDAPMEBYRFM-UHFFFAOYSA-N 365.440 5.094 0 1 FKAF CC(C)CSC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370137 UIJRJWTWJBOGED-TZIWHRDSSA-N 374.477 5.038 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3)cn1)CC2=O 587478894 ADJNDFAJJBFKBM-QFIPXVFZSA-N 359.425 5.113 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H](c3ccccc3)C1)CC2=O 587485546 VUGZUOVXXQPTKE-HOYKHHGWSA-N 364.485 5.797 0 1 FKAF O=C1C[C@H](c2ccc3cnc(Cl)cc3c2)Oc2c1ccc1c2CCCC1 587501009 QONFCSBQKKACAD-HXUWFJFHSA-N 363.844 5.474 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2c1ccccc1 587602570 IPDJJFQLUQNSDR-ZHRMCQFGSA-N 372.420 5.060 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC1(CCCC1)CC2 587603383 NEJJLVVFQUEUAZ-IBGZPJMESA-N 364.441 5.227 0 1 FKAF COC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2c(C)cc(Cl)cc12 587624232 GUJHFAIGFHFRKJ-UHFFFAOYSA-N 367.754 5.602 0 1 FKAF Fc1cccc2[nH]c(-c3ccc(Br)cc3)c(-c3ccccn3)c12 587633130 YEAWZKDNSMGCKS-UHFFFAOYSA-N 367.221 5.799 0 1 FKAF O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[nH]c2cccc(F)c12 587633761 LJMJXCCIOJUSJN-UHFFFAOYSA-N 357.306 5.710 0 1 FKAF CC/C=C\CCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587817272 BBFFSUXSCRRMCS-UBZBRERJSA-N 368.334 6.080 0 1 FKAF C[C@H](C[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)CC(C)(C)C 587821795 XQSPHNACGPRWJB-XUJVJEKNSA-N 356.323 5.626 0 1 FKAF CC1=C[C@H](C)C[C@H]([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 587824783 YNRDTOFTVNHBFK-UEIBITKBSA-N 352.291 5.156 0 1 FKAF CCCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587847908 MSBVEUOTXCLHHJ-DYZYQPBXSA-N 368.315 5.226 0 1 FKAF CCC[C@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(C)C 587955271 MHWWPIXOWDSSBO-JTQLQIEISA-N 363.221 5.884 0 1 FKAF CCCCCCc1ccc([C@]2(C)NCCc3c2c(C(C)C)nn3C)cc1 962916043 WVHPBLVUYQAHRO-QHCPKHFHSA-N 353.554 5.076 0 1 FKAF CC(C)C(C(C)C)[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963929 YOVCCSGYZNJJPU-LJQANCHMSA-N 369.471 5.326 0 1 FKAF Cc1cccc(C)c1-c1ccc(COc2ccc(CCC(=O)O)s2)cc1 1772641036 PWCXQSJRCNPSCH-UHFFFAOYSA-N 366.482 5.628 0 1 FKAF Cc1ccccc1CO[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 1857642421 UVNCKBGWCASRKR-IBGZPJMESA-N 361.272 5.456 0 1 FKAF COC(=O)C[C@H](C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)OC 2356581594 BVVBLULWDBBBND-BORKMBCGSA-N 352.559 5.614 0 1 FKAF Cc1cc(F)ccc1[C@H](O)c1nc(-c2ccc(Oc3ccccc3)cc2)c[nH]1 61902654 PSAGFYRAXDKOKF-QFIPXVFZSA-N 374.415 5.398 0 3 FKAF FC(F)(F)Oc1cccc(Nc2cc3[nH]c(-c4ccccn4)cc3cn2)c1 206017982 CXRXVUKLARZNIL-UHFFFAOYSA-N 370.334 5.267 0 3 FKAF CC1(C)CCC(C)(C)c2cc(CSc3nc(N)cc(Cl)n3)ccc21 5963578 PGSLXAKJPLTUJM-UHFFFAOYSA-N 361.942 5.354 0 1 FKAF Clc1ccccc1-c1nnc(-c2ccccc2CNc2ccccc2)o1 6794708 XIXNUZHTDQAJOU-UHFFFAOYSA-N 361.832 5.669 0 1 FKAF N[C@@H](c1ccc(Cl)cc1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 22941558 CITUWUCPAPAZQE-VXKWHMMOSA-N 362.904 5.204 0 1 FKAF Clc1ccc([C@@H](Cc2c(Cl)cccc2Cl)Cn2ccnc2)cc1 33493876 ASNBFWBLEFAXFH-AWEZNQCLSA-N 365.691 5.870 0 1 FKAF Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1csc(-c2ccccc2)c1 40848756 BKQXINPHGXGIBD-NVNXTCNLSA-N 351.452 5.450 0 1 FKAF Cc1ccc(C(=O)C[C@@H](Nc2ccc(F)cc2)c2cccc(F)c2)cc1 49863768 FBLDDBTTXDBIGE-OAQYLSRUSA-N 351.396 5.699 0 1 FKAF CC(C)c1cccc(Nc2nnc([C@H](O)c3cccc(Cl)c3)s2)c1 82082044 RRGZJEQOGHEIIG-MRXNPFEDSA-N 359.882 5.140 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCN 82102057 OLKGPWJMBFCYEX-KUBAVDMBSA-N 370.581 5.539 0 1 FKAF CCOC(=O)N(C)c1cc(Sc2ccc(C)cc2)c(OC)cc1[N+]#N 84403518 FOUYWPPIYVTHMX-UHFFFAOYSA-N 358.443 5.232 0 1 FKAF CCN1CCC(c2c[nH]c3ccc(CC(=N)c4cccs4)cc23)CC1 96177577 HDWUCKQZZFXOQV-UHFFFAOYSA-N 351.519 5.039 0 1 FKAF CCCOc1ccc(C(=O)Nc2cccc(Nc3ccc(F)cc3)n2)cc1 96273385 WJIFUHODUHVZLA-UHFFFAOYSA-N 365.408 5.005 0 1 FKAF O=C1NC[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc2ccccc2c1 96929917 YHCGXHXZKOJYFY-APWZRJJASA-N 356.252 5.144 0 1 FKAF O[C@@H](CCCN1[C@@H]2CC[C@@H]1CC(c1ccccc1)C2)c1ccc(F)cc1 100799532 MMDFRNFDFSNOJN-ZLNRFVROSA-N 353.481 5.050 0 1 FKAF CCCN(/C=C1\C(=O)N(c2cccc(Cl)c2)c2ccccc21)CCC 100919216 ZADAEZZCCGPAQP-CYVLTUHYSA-N 354.881 5.481 0 1 FKAF N=c1n(CCCc2ccccc2)c2ccccc2n1CCCc1ccccc1 101712535 ZFKPPIARBTWJEA-UHFFFAOYSA-N 369.512 5.188 0 1 FKAF CCCCNC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccsc12 169336927 LBTTUVARXMWXMA-KRWDZBQOSA-N 367.436 5.496 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](Nc3ccc(O)cc3)CCC[C@]12C 299866486 VXFKLMHFYSPAMR-REXJZNOJSA-N 357.582 6.852 0 1 FKAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc(C)c1F 586987219 UMWLLWCJFGRNTQ-UHFFFAOYSA-N 369.395 5.575 0 1 FKAF C[C@H]1CCc2sc(-c3nc4c(F)cc(Br)cc4[nH]3)cc2C1 587034864 ZWWILLUNKIRLGJ-QMMMGPOBSA-N 365.271 5.318 0 1 FKAF COc1cc(/C=C\c2nc3cccc(F)c3[nH]2)cc(Cl)c1OCC(C)C 587047622 YVAXNLCSQJZWRI-FPLPWBNLSA-N 374.843 5.569 0 1 FKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 587048678 LESBABSANAQODW-UHFFFAOYSA-N 367.880 5.357 0 1 FKAF Cc1c(F)ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063755 VHJWFFABHKBTIL-UHFFFAOYSA-N 366.823 5.910 0 1 FKAF Cc1cc(C)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 587065253 WQFMLRRIUWSMOD-UHFFFAOYSA-N 352.821 5.672 0 1 FKAF FC(F)(F)Oc1cccc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587107534 UHMHUKSGTFOKNP-UHFFFAOYSA-N 360.257 5.071 0 1 FKAF O=C(O)c1ccc(-c2ccccc2-c2cc3c4c(cccc4n2)CC3)cc1 587215687 RMHCXLQGPBOWNV-UHFFFAOYSA-N 351.405 5.366 0 1 FKAF CCOc1ccc(-c2ccccc2)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587401385 WJZWNJWQCDOAQT-QHCPKHFHSA-N 373.452 5.349 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccccc1)CC2=O 587485107 ZGIKMDNMWUWESZ-HSZRJFAPSA-N 374.436 5.844 0 1 FKAF Cc1ccc(C)c(-n2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c1 587515712 OWDVPORSCQNJQB-XMMPIXPASA-N 371.480 5.679 0 1 FKAF CSc1ccccc1C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531640 IGEMSVXRUFNKIF-JOCHJYFZSA-N 352.499 5.254 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)c3ccc(O)cc3)c(C(F)(F)F)[nH]c12 587624645 QMLLUWJFOJEMRM-UHFFFAOYSA-N 353.727 5.085 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1ccccc1C(F)(F)F 587630103 RNXGJNHKZDMGRB-UHFFFAOYSA-N 370.733 5.540 0 1 FKAF Fc1cccc2[nH]c(-c3ccccc3)c(Nc3cccc(C(F)(F)F)c3)c12 587633509 FKUBRDPLEJMYQE-UHFFFAOYSA-N 370.349 6.736 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cc(OC)c(OC)cc3[nH]2)c1 587780218 OSFODHMBQOXWLC-UHFFFAOYSA-N 374.440 5.313 0 1 FKAF CC(C)=C1CC[C@H](C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587819238 UNWPOCBLRPALAR-JMERFSKESA-N 366.318 5.474 0 1 FKAF COc1cccc(-c2cccc(-n3c(O)cc(Cc4ccccc4)c3O)c2)c1 587938164 QGELPQIZOMKMEJ-UHFFFAOYSA-N 371.436 5.155 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1ccc(Cl)cc1C(F)(F)F 963096218 MNKAXGTXAKLLMH-KBXCAEBGSA-N 369.789 5.608 0 1 FKAF CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1c[nH]nc1-2 1857613923 QQZALPJNSWDNME-UHFFFAOYSA-N 356.510 5.961 0 1 FKAF C/C=C(\C)[C@H](C)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1cc(O)cc(OC)n1 1857774378 OCDPANXTZKSYOY-WAAWUVLVSA-N 369.549 6.416 0 1 FKAF CCCCC[C@@H]1O[C@H](CCCCCCCCCCC(=O)OC)[C@@H](C)[C@@H]1C 2356428400 KIBWZJMHKVHAES-MYGLTJDJSA-N 368.602 6.680 0 1 FKAF CCC=CCC=CCC=CCC=CCC=CCCCCCCCC(=O)O 2356607044 NPTIBOCVSPURCS-UHFFFAOYSA-N 358.566 7.553 0 1 FKAF C[C@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccc(Cl)cc2)=NO1 12477233 YMNNHBULWAIQTK-GOSISDBHSA-N 374.227 5.083 0 3 FKAF COc1ccccc1CNc1nc(-c2ccc(C)cc2)nc2ccccc12 3018077 DXDYXIJJJLHODD-UHFFFAOYSA-N 355.441 5.226 0 1 FKAF COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(Cl)cc2)cc1 5008118 PEJZFBVSMOQNLA-QFIPXVFZSA-N 362.860 5.704 0 1 FKAF Cc1cc(C)cc(COC[C@H](C(c2ccccc2)c2ccccc2)N(C)C)c1 13781126 KYAGVGRXHALGSE-RUZDIDTESA-N 373.540 5.582 0 1 FKAF COc1cc2c(c3c1[C@@H](OC)C[C@@H](c1ccccc1)O3)C=COC2(C)C 14439343 BGZPWFYXIHPTOV-HKUYNNGSSA-N 352.430 5.143 0 1 FKAF biogenic CCCCCc1cc2c(c(O)c1C(=O)OC)[C@H]1C=C(C)CC[C@@H]1C(C)(C)O2 14722850 PZGQMCZVNQZFFP-IRXDYDNUSA-N 372.505 5.522 0 1 FKAF biogenic CC(C)c1cccc(-c2nn3c(c2-c2ccnc4ccccc24)CCC3)n1 27180374 MYNYRQXACWERLQ-UHFFFAOYSA-N 354.457 5.230 0 1 FKAF CNc1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3s2)cc1 28713973 PSNPHOVUFPQVPA-UHFFFAOYSA-N 373.506 6.282 0 1 FKAF CC(=O)Nc1cc(Cl)cc(COc2cccc3cnccc23)c1Cl 29559557 RFYTYEVUBFZWNC-UHFFFAOYSA-N 361.228 5.079 0 1 FKAF O=C(Nc1ccccc1-n1cccn1)c1cccc2c1sc1ccccc12 34635162 QJYZPVFWONIJJL-UHFFFAOYSA-N 369.449 5.493 0 1 FKAF Cc1ccc2cccc(OCCCCOc3cccc4ccc(C)nc34)c2n1 40406824 XBJRRQFKNZIIKA-UHFFFAOYSA-N 372.468 5.638 0 1 FKAF CC(=O)OCC[C@@H](C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 53298160 NZKLGQRMNDHSPV-DTTOWAHTSA-N 352.559 5.350 0 1 FKAF CC(C)SC1=NC(C)(C)CC(/C=C/c2ccc(Cl)cc2Cl)=N1 53598511 MTLUSSSBXRBTOB-SOFGYWHQSA-N 355.334 6.128 0 1 FKAF CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c1ccc(C(=O)O)cn1 66114297 JUCWZKDTWSKUAW-UHFFFAOYSA-N 356.466 5.096 0 1 FKAF Clc1ccc(-c2nc3sc4ccccc4n3c2CN2CCCC2)cc1 95556165 BMCMZLQOKMKHOM-UHFFFAOYSA-N 367.905 5.465 0 1 FKAF C[C@@]1(c2cccc(OCCCc3ccc(Cl)cc3)c2)CCSC(N)=N1 96174382 BLMYKOOXEALXBP-FQEVSTJZSA-N 374.937 5.018 0 1 FKAF CCc1cncc(C2=CC[C@H]3[C@@H]4CC=C5CCCC[C@]5(C)[C@H]4CC[C@]23C)c1 141068418 ZQCQCIGZIOQVKK-YZUYXXDVSA-N 361.573 6.990 0 1 FKAF COc1ccc(NC(=N)c2cc(C)cs2)cc1CSC1CCCC1 169352350 ZLYCMIZLMFOWPA-UHFFFAOYSA-N 360.548 5.678 0 1 FKAF Oc1ccc(C(=C2CCC[C@H](c3ccc(O)cc3)C2)c2ccc(O)cc2)cc1 584904802 KKDNIKQNZPHESK-FQEVSTJZSA-N 372.464 5.963 0 1 FKAF in-vitro Fc1cc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2cc1Cl 587032704 NGGUCGSMYYLZBA-UHFFFAOYSA-N 357.841 5.363 0 1 FKAF CC(C)(C)c1cccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587076775 NUNGPODZGFXNQG-UHFFFAOYSA-N 361.876 6.243 0 1 FKAF COc1ccc(C)cc1-c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587106510 IMVFTTNCBVYVLV-UHFFFAOYSA-N 365.432 5.739 0 1 FKAF Fc1c(Cl)cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1F 587120369 GIGJDXWWGXYDQK-UHFFFAOYSA-N 372.684 5.057 0 1 FKAF CC1(C)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353943 PPVCEFIQPYNXGV-LJQANCHMSA-N 354.421 5.229 0 1 FKAF CCC[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587355838 WTLRXHFFRHEMNH-FQQGMQMYSA-N 368.448 5.619 0 1 FKAF COc1cccc(-c2cc(-c3cc(C)ccn3)nc3c2oc2ccccc23)c1 587361993 ABWSHVIDNIVDTJ-UHFFFAOYSA-N 366.420 6.027 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3C(C)(C)C)c1 587365187 FNCWSHNJJXFKLU-QGZVFWFLSA-N 357.453 6.342 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(Cl)c1Cl)[C@@H](C2)C3=O 587420826 JDLDWHSBSJKCBK-GTNSWQLSSA-N 369.631 5.144 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1oc3ccccc3c1CC)CC2=O 587487023 YHSRQWPIUHDFPI-QHCPKHFHSA-N 364.441 5.534 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccccc3)cs1)CC2=O 587496636 YZGHAOLNLPWYKY-HXUWFJFHSA-N 364.466 5.780 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(C(F)F)c1 587554083 GWKMDTUHXYARDM-PXNSSMCTSA-N 368.335 5.033 0 1 FKAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)cc1 587630243 WQGRUALHNGTJPE-UHFFFAOYSA-N 355.718 5.519 0 1 FKAF Cc1ccc(COc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 653859605 SGTNPPDVFOXNLY-UHFFFAOYSA-N 367.663 5.344 0 1 FKAF COc1ccc2c(c1)[C@H](C)[C@]1(CC2)c2ccc(C(F)(F)F)c3c2CCN31 962698390 HFWZDKBHRMGYGR-FKIZINRSSA-N 359.391 5.035 0 1 FKAF CC(=O)CCCCCC[C@@]1(C)c2ccsc2CCN1Cc1ccco1 962711557 MEWMBTPHGYDFDP-NRFANRHFSA-N 359.535 5.544 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2c(Cl)[nH]c3ccccc23)N1 962945886 HGIRAHKLEJWTEJ-DMZKTXOQSA-N 363.892 5.490 0 1 FKAF Cc1[nH]c2c(Cl)cccc2c1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963115749 XMGIYNBTONLXEW-YCRPNKLZSA-N 354.856 5.379 0 1 FKAF COc1cc(OC)cc(-c2cc3ccccc3c(-c3cccc(O)c3)n2)c1 1857767901 BJRZWFAWROXIHK-UHFFFAOYSA-N 357.409 5.292 0 1 FKAF O[C@H](c1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)cc2)c[nH]1 61905110 QFJXGXINXIAGCS-OAHLLOKOSA-N 353.636 5.119 0 3 FKAF Cc1csc(-c2nc3ccccc3n2[C@@H](C)c2nc3ccccc3[nH]2)c1 95566685 VJDYFAGVYPBENP-AWEZNQCLSA-N 358.470 5.559 0 3 FKAF Fc1ccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc32)cc1 5933283 DBKKZDWGHLNCKQ-UHFFFAOYSA-N 374.040 5.293 0 1 FKAF CN1Cc2ccccc2[C@H](Cc2ccccc2)N=C1CCc1ccccc1 13600293 GKBWEFQSKYELDR-DEOSSOPVSA-N 354.497 5.447 0 1 FKAF c1ccc(CC2CCN(CCCC[C@H]3CCCc4ccccc43)CC2)cc1 13759827 BDVZYHSLLRBSCD-VWLOTQADSA-N 361.573 6.232 0 1 FKAF Cc1noc(C)c1-c1ccc2ncnc(NCc3cccc(Cl)c3)c2c1 13828569 HGQLHYXOFSFLGE-UHFFFAOYSA-N 364.836 5.167 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](CCC(=O)OC)OC 28342500 GRHVOKGSEFZGCR-NVMLQNMLSA-N 372.549 6.262 0 1 FKAF CC(C)Oc1ccccc1OCCNCc1cccc(-c2ccccc2)c1 35259209 UBZWXZBTCLQFRO-UHFFFAOYSA-N 361.485 5.309 0 1 FKAF CC(C)N(C(=O)/C=C/C1=C(Cc2ccccc2)c2ccccc2CC1)C(C)C 64516452 ZJYMQBUKDBGBBV-WUKNDPDISA-N 373.540 5.831 0 1 FKAF CC(C)(C)c1cc(/C=C(/C(=O)O)c2ccccc2)cc(C(C)(C)C)c1O 66066366 WGAJAWADKIWYGS-SFQUDFHCSA-N 352.474 5.612 0 1 FKAF CC1(C)Cc2cnn(-c3ccccc3)c2-c2cc(Br)ccc21 84617930 CPAZJOYPWXOBMC-UHFFFAOYSA-N 353.263 5.136 0 1 FKAF CC1=C(CC(=O)O)c2cc(C(C)C)ccc2/C1=C\c1ccc(C(C)C)cc1 95588304 SEHKBWSSKSILRZ-UUYOSTAYSA-N 360.497 6.736 0 1 FKAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(F)c1C 96283509 URNUWJQXXIKCEO-UHFFFAOYSA-N 357.432 5.611 0 1 FKAF c1ccc(C2=NN(c3ccccc3)[C@@H](c3noc(-c4ccccc4)n3)C2)cc1 96914451 FNABZCVBCUMXRJ-OAQYLSRUSA-N 366.424 5.092 0 1 FKAF Brc1ccc2cc(-c3nc4ccc5c(c4[nH]3)CCCC5)cn2c1 587005936 AKSVMXLXDFMHLM-UHFFFAOYSA-N 366.262 5.124 0 1 FKAF Cc1cnc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 587015059 CZGKKAVOQSBUIC-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnc(Cl)cc4[nH]3)c21 587031242 PTCZOUYTBPSTCW-NSHDSACASA-N 368.893 5.570 0 1 FKAF C[C@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccccc1C(F)(F)F 587098719 TZIROSGSDROCSP-NSHDSACASA-N 374.341 5.058 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1CCCC[C@H]1C4)-c1ccccc1C2=O 587101359 SMHSXGMICMFHRF-HOTGVXAUSA-N 353.465 5.660 0 1 FKAF Cc1c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587166417 YZJHRLKDPBRZMR-UHFFFAOYSA-N 374.246 5.990 0 1 FKAF COc1cccc(-c2cc(-c3ccn(C)c3)nc3c2oc2ccccc23)c1 587362221 FILGAKYIKLMKOW-UHFFFAOYSA-N 354.409 5.662 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(C(F)(F)F)c1)(C(C)C)O2 587380343 DJUAWSCKTSMWDT-IBGZPJMESA-N 363.379 5.113 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccccc3F)s1)O2 587386693 WDBFJNXUFPHOEF-NRFANRHFSA-N 367.445 5.325 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3ccccc3)o1)O2 587409103 GPXUJUHVACZQDD-SFHVURJKSA-N 351.427 5.028 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3c(Cl)cccc31)CC2=O 587462689 QKWBKYDTKZLNHP-NRFANRHFSA-N 372.848 5.031 0 1 FKAF CC(C)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602763 YPIDERQBNVKAPL-ZJSXRUAMSA-N 374.436 5.295 0 1 FKAF CC(C)Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587604782 YLRVCVLWZWLEAV-URXFXBBRSA-N 374.436 5.294 0 1 FKAF Cc1ccc([C@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587814801 IZCVBHLZYIHFIM-ZUOKHONESA-N 374.297 5.084 0 1 FKAF CC1=CC[C@H]([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587815507 NDXUBWPDFWRMLF-UVBSCNOISA-N 352.291 5.084 0 1 FKAF O=C(c1ccc(F)cc1)c1sc2cc(O)ccc2c1-c1ccc(F)cc1 653845305 AUGATXQNUDVPAJ-UHFFFAOYSA-N 366.388 5.783 0 1 FKAF COc1ccc2c(c1)[C@@]1(CCCC2)NCCc2cc(-c3ccccc3)ccc21 962666427 JXSFQBDEPDHGCU-SANMLTNESA-N 369.508 5.478 0 1 FKAF CCCS(=O)(=O)Nc1ccccc1-c1cccc2c1[nH]c1ccccc12 1857756749 MQQITMDASYWXQJ-UHFFFAOYSA-N 364.470 5.140 0 1 FKAF CCCCCC=CCCCCCCCCc1cc(=O)c2ccccc2n1C 2356533630 MRCULLZMMHZIEL-UHFFFAOYSA-N 367.577 6.948 0 1 FKAF CC(C)=C[C@H]1C[C@](C)(C=Cc2ccc3cc[nH]c3c2)c2cc3cc[nH]c3cc21 2356682770 STKFDMFOGFXEHA-LVXARBLLSA-N 366.508 7.074 0 1 FKAF O=C(O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1c(F)cccc1Cl)N2 4811088 RQAYLZVUULMIHY-BSNQOLHSSA-N 371.839 5.474 0 1 FKAF CCCC[C@]1(CC(=O)O)OCCc2c1oc1c(Cl)ccc(Cl)c21 28563832 XGLFMFKNACBKDW-QGZVFWFLSA-N 357.233 5.173 0 1 FKAF Brc1cccc([C@@H]2C[C@@H]3Cc4ccc5ccccc5c4N2O3)c1 40379346 RHWAMSPMTXWVKJ-HKUYNNGSSA-N 366.258 5.410 0 1 FKAF Fc1ccc(-n2ncc3cc(-c4cccc(C(F)(F)F)c4)ccc32)cc1 49036509 MBWIUTICWNMOQW-UHFFFAOYSA-N 356.322 5.850 0 1 FKAF Cc1ccccc1-c1cnc(N(Cc2ccccc2)c2ccccc2)s1 71318563 UJRCELPBTZKZKM-UHFFFAOYSA-N 356.494 6.457 0 1 FKAF Clc1ccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)c(Cl)c1 72176429 JVPXBFOTAZALQO-UHFFFAOYSA-N 356.216 5.070 0 1 FKAF CC(C)(C)c1ccc(-c2nc(Cn3nc(N)cc3-c3ccccc3)co2)cc1 72184419 SJDZFZQDZSXQHC-UHFFFAOYSA-N 372.472 5.133 0 1 FKAF c1ccc2c(c1)oc1ccc(Oc3cc(NC4CCCCC4)ncn3)cc12 82067515 ZZZBZKYSAAXPPN-UHFFFAOYSA-N 359.429 5.913 0 1 FKAF CCc1cnc(-c2cnc(NCc3ccccc3)nc2-c2ccccc2)s1 82163260 YFAOINWTEJEEEK-UHFFFAOYSA-N 372.497 5.442 0 1 FKAF Cc1cnc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccccc2C)o1 82177201 RFOQMKIADDVRPM-KXBFYZLASA-N 362.477 5.406 0 1 FKAF CC1(C)Cc2cnn(-c3ccc(F)cc3)c2-c2cc(Br)ccc21 84635705 FOYCBTUHPUSRLS-UHFFFAOYSA-N 371.253 5.275 0 1 FKAF CC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCCC1 96175034 IHIWWBQDVJOYKO-UHFFFAOYSA-N 372.472 5.294 0 1 FKAF Cc1cccc([C@@H](CO)Nc2nc(-c3ccccc3C(C)C)ncc2C)c1 169303282 IOVBCXDKAQWYCM-OAQYLSRUSA-N 361.489 5.029 0 1 FKAF Cc1cc(C)c(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 299837805 LAOJNOHPRCPMNL-UHFFFAOYSA-N 351.471 5.080 0 1 FKAF Cc1cccc(C)c1-c1nocc1NC(=O)OCc1c(F)cccc1Cl 299851177 APSKICSFEAQMGE-UHFFFAOYSA-N 374.799 5.500 0 1 FKAF CCCCOc1cc2nc([C@@H]3C[C@]3(C)CC)[nH]c2cc1Br 586890883 PMXGBMMOBZPVAS-GTNSWQLSSA-N 351.288 5.408 0 1 FKAF CC(C)c1c([C@@H]2CCCNC2)nc2cccc3c2c1-c1ccccc1C3=O 587106300 KXAJWQRBMYQFRP-OAHLLOKOSA-N 356.469 5.037 0 1 FKAF C[C@@]1(C2CCCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353610 LLLNHXMJYVHNJD-GGAORHGYSA-N 368.448 5.619 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1Cl)(C(C)(C)C)O2 587385470 OHCKKDMXQWEVEV-HXUWFJFHSA-N 361.844 5.277 0 1 FKAF O=C1C[C@H](c2cc3ccccc3nc2Cl)Oc2c1ccc1c2CCCC1 587501081 QTIQPWZOVMKISZ-HXUWFJFHSA-N 363.844 5.474 0 1 FKAF O=C1C[C@@H](c2nc3cc(F)ccc3s2)Oc2c1ccc1c2CCCC1 587507365 MIJKQOWLGVXGCC-KRWDZBQOSA-N 353.418 5.021 0 1 FKAF O=C(O)c1cc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccccc2)c[nH]1 587632755 OHZBUNWXWYUSBT-UHFFFAOYSA-N 354.768 5.321 0 1 FKAF CC1(C)CC(=O)C(c2c(-c3ccc(F)cc3)[nH]c3cc(F)ccc23)C(=O)C1 587634512 IGHQEJVIOBWFBV-UHFFFAOYSA-N 367.395 5.155 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(CCc3ccc(Br)cc3)c(C)c2c1 587638341 FSJJWSNMFVNIOA-CQSZACIVSA-N 370.334 6.538 0 1 FKAF CCCCCC[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587812928 LZYAOKZZRGGKHN-UGSOOPFHSA-N 356.323 5.698 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CCCC3)CC2)N1 587820143 YIIVLDUXJHKDBO-ZDUSSCGKSA-N 366.318 5.452 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccccc3c2)N1 587824157 UWFHEZLPCFFRMN-MPBGBICISA-N 370.265 5.365 0 1 FKAF CC[C@@]1(c2ccsc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587846973 VPKMRFGHSXFYFV-QGHHPUGFSA-N 368.315 5.146 0 1 FKAF CCC[C@@]1(c2ccsc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587853073 KONPZYJBROSGIL-GTNSWQLSSA-N 368.315 5.228 0 1 FKAF Cc1c(Br)ccc2nc(/C=C\c3cccc4ccccc34)[nH]c12 587970193 ZTUWBMHQOBIUKM-XFXZXTDPSA-N 363.258 5.957 0 1 FKAF CC=CCCCCCCC[C@@H]1[C@@H]2C=C[C@H]3[C@H]4[C@H](C=C[C@H]3C(=O)OC)C[C@@H]1[C@H]24 2356419163 JBYCJIRPGDZNGC-FHCRMFJYSA-N 368.561 5.953 0 1 FKAF CC(=CCc1cc(C(=O)O)ccc1O)CC[C@]1(C)[C@@H](C)CCC(=O)[C@@H]1C 2356462578 XTHUWDOULQJWNT-PONJGIIJSA-N 358.478 5.001 0 1 FKAF FC(F)(F)Oc1ccc(Nc2cc3[nH]c(-c4ccccc4)cc3cn2)cc1 206018069 YNGVMHJKFWFZSW-UHFFFAOYSA-N 369.346 5.872 0 3 FKAF COC(=O)c1ccc(O)c(C[C@@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@@]23C)c1 13431218 ABUPJXVKVVYCOX-RFWXGWTQSA-N 356.506 5.520 0 1 FKAF biogenic C[C@@H]1C[C@](C)(CCCCCCCCCCCCc2ccccc2)OC1=O 13460474 FAIZHPBXQAJJPL-QPPBQGQZSA-N 358.566 6.862 0 1 FKAF biogenic CC(C)c1cccc(C(C)C)c1NC(=O)NC(C)(C)Cc1ccccc1 13833461 LRRLQBFDVCZENL-UHFFFAOYSA-N 352.522 6.076 0 1 FKAF CCCCCCOc1c(OC)cc(N[C@@H](C)CCCN)c2nccc(C)c12 28223185 RDIBJGVCLJKGFR-KRWDZBQOSA-N 373.541 5.050 0 1 FKAF Cc1cccc(S(=O)(=O)Oc2c3ccccc3cc3sccc23)c1 28826833 AMHNRRHEMJUIHM-UHFFFAOYSA-N 354.452 5.131 0 1 FKAF C[C@]12CC[C@H]3[C@@H](C=C(Cc4ccccc4)C4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 38795093 RCHPIVYWDYDQHI-SHGLSTRNSA-N 374.524 5.476 0 1 FKAF C[C@@H](N[C@@H]1CCC[C@H](c2ccc(C(=O)O)cc2)C1)c1cccc2ccccc12 43205421 XHECHHFQBPQRSS-VOQZNFBZSA-N 373.496 5.915 0 1 FKAF Cc1cc(NCc2ccccc2)nc(NCC23CC4CC(CC(C4)C2)C3)n1 45353329 HHKFAUGBSYEZCU-UHFFFAOYSA-N 362.521 5.025 0 1 FKAF Cn1c(C(F)(F)F)nc2cc(Oc3cccc(Cl)c3Cl)ccc21 53276651 MUACZBOPEYIOKV-UHFFFAOYSA-N 361.150 5.691 0 1 FKAF CC(C)=CCC/C(C)=C/Cn1cc(CN2CCOCC2)c2cc(F)ccc21 168866622 DTIMKZVONVOXHA-DJKKODMXSA-N 370.512 5.305 0 1 FKAF CC(C)=CCC/C(C)=C\CC[C@@]1(C)C=Cc2c(cc(C)c(C(=O)O)c2O)O1 195767693 UYLFTJMQPWWDCW-OTTRSHQESA-N 370.489 6.036 0 1 FKAF Cc1csc2c1CN(c1cc(C)c(NC(=O)CC(C)(C)C)c(C)c1)CC2 207550025 BGRQWBXAFYAUPW-UHFFFAOYSA-N 370.562 5.611 0 1 FKAF O=NN1[C@H](c2ccccc2)CC(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1 253664648 FBRWNHRLJWXKFA-ACIOBRDBSA-N 356.425 5.209 0 1 FKAF C=Cc1ccc(-c2nc3cc(Br)c(OCCC)cc3[nH]2)cc1 586882284 ZKOMVJOYXANPNR-UHFFFAOYSA-N 357.251 5.424 0 1 FKAF FC(F)(F)Sc1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586885561 WJLMMBAHXAIGAA-NDBFUVGKSA-N 352.425 5.643 0 1 FKAF Cc1ccc2c3c(cc(-c4ccnc(C(F)F)c4)nc13)-c1ccccc1C2=O 586996902 VFEPIBSRRUOCSY-UHFFFAOYSA-N 372.374 5.754 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4cnc(Cl)cc4[nH]3)cc2)n1 587020778 YBSNFGBAKJLDNS-UHFFFAOYSA-N 372.906 5.336 0 1 FKAF Fc1cc(C(F)(F)F)c2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1 587024218 YZPJFZKVORXLPO-UHFFFAOYSA-N 369.368 5.573 0 1 FKAF Cc1cc(Cl)cc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029107 HTGHSOLQEUEWDV-UHFFFAOYSA-N 355.850 5.227 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(F)c(F)cc4[nH]3)c21 587031056 NWJUKCKCTVJVTF-LLVKDONJSA-N 369.440 5.800 0 1 FKAF FC(F)(F)c1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Cl 587036515 DHXFMWBUNNSYQS-CYBMUJFWSA-N 372.799 5.153 0 1 FKAF Cc1ccc2c(ccc3nc([C@@H](C)Oc4ccc(Cl)cc4C)[nH]c32)n1 587067484 CNOCNSDFGNRTAK-CYBMUJFWSA-N 351.837 5.521 0 1 FKAF FC(F)(F)c1cnc2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 587084301 XFYPCRZFGAHWCE-UHFFFAOYSA-N 374.753 5.359 0 1 FKAF Cc1c(Cl)ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587112974 QNEYAAMMWQZJOB-UHFFFAOYSA-N 361.754 5.759 0 1 FKAF Cc1c(-c2ccc(OCc3ccccc3)cc2)nc2cccc3c2c1CC3 587214474 QNHBFTRQLCCEHZ-UHFFFAOYSA-N 351.449 5.888 0 1 FKAF C[C@@H]1CC(C)(C)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357895 WMDKFDBNNIVREA-JMGHSTIFSA-N 354.421 5.085 0 1 FKAF CC[C@@H](C)c1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587391187 QBMTUAYIVYFILL-WAIKUNEKSA-N 374.484 5.588 0 1 FKAF CC[C@@H](C)c1ccc([C@@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587446416 WOBCZHONNCCNBA-WNHYQHMGSA-N 350.458 5.262 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c3c(c1)CC(C)(C)O3)CC2=O 587475876 AYOMCXPXGDKAOM-HXUWFJFHSA-N 366.457 5.073 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(C)(C)C)cc1)CC2=O 587478174 BJTFAMXKTZZBTN-HSZRJFAPSA-N 352.474 5.523 0 1 FKAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c2ccc(Cl)cc12 587498690 JRYMQCXHCFYFQZ-HXUWFJFHSA-N 365.860 5.715 0 1 FKAF Cc1ccc2[nH]c3c(c2c1)CC[C@@]31CC(=O)c2ccc3c(c2O1)CCCC3 587524939 MPDPMNQPGVVOGU-XMMPIXPASA-N 357.453 5.162 0 1 FKAF FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccn3)c(C3CC3)[nH]c2c1 587628749 ZFMVNQWPXSRIJM-UHFFFAOYSA-N 370.296 6.145 0 1 FKAF CCOC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cccc(F)c12 587633897 NRAHXFAZVIHLEG-UHFFFAOYSA-N 351.299 5.170 0 1 FKAF Cc1ccc(/C=C\[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587821937 YWUNRMJCQUNNHL-RCXRXPASSA-N 360.270 5.185 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccccc3o2)N1 587827288 JJCTVPRZJRAVKL-WLRWDXFRSA-N 374.253 5.132 0 1 FKAF CC[C@]1(c2ccc(C)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587846187 HBDRDIBQEJCMKQ-BTDLBPIBSA-N 368.315 5.146 0 1 FKAF FC1(F)CCCCCC[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961616309 RKUWVVMZBVJEHS-KRWDZBQOSA-N 370.281 5.312 0 1 FKAF Cc1c(F)ccc2c1[C@H](c1sc(-c3ccccc3)nc1Cl)NCC2 962375721 PCHMDZKCVRATEI-MRXNPFEDSA-N 358.869 5.146 0 1 FKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1ccccc1C1CC1 962696964 HIAADGPWIQFIFG-OPAMFIHVSA-N 353.506 5.156 0 1 FKAF Fc1ccc([C@]2(CC(F)(F)F)c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963093443 BQFXIVHPWIBKEE-PKOBYXMFSA-N 367.361 5.181 0 1 FKAF COc1cc([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)ccc1SC 963101528 CBJVVVQFQIOBJT-GOSISDBHSA-N 368.329 5.133 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3Cl)cc(-c3ccc(O)cc3)n2)cc1 1772619143 FZVCZPZWZWRLGQ-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF O=C(Nc1ccccc1)C1=C[C](c2ccccc2)OC(c2ccccc2)=C1 2356848213 ZRLYLAYKMOBSGX-UHFFFAOYSA-N 352.413 5.203 0 1 FKAF CCCCc1c(-c2ccccc2OC)ncn1CCc1cccc(OC)c1 95565528 LQZVSUJLNIMSPD-UHFFFAOYSA-N 364.489 5.153 0 3 FKAF CC[C@H](C)C(=O)O[C@H](CC=C(C)C)c1coc(-c2cc(O)ccc2O)c1 13432857 PEZOMNLHRUVLDV-IFXJQAMLSA-N 358.434 5.345 0 1 FKAF biogenic CC(C)c1nnc2ccc(-c3ocnc3-c3ccc(Cl)c(Cl)c3)cn12 14961209 FXCMRYJIDRKZHH-UHFFFAOYSA-N 373.243 5.482 0 1 FKAF Cc1cccc(Cl)c1Nc1ncc(-c2ccc(F)cc2)n2cncc12 28642291 BYXMCBMKAUIREM-UHFFFAOYSA-N 352.800 5.241 0 1 FKAF CC(C)c1ccc(-c2nc(=S)n(C(C)C)c3cc4c(cc23)OCO4)cc1 39290322 UHPOQYHLZCBLAS-UHFFFAOYSA-N 366.486 5.866 0 1 FKAF CCCCC/C=C\CC[C@H](O)CCCCCCCc1nc2ccccc2[nH]1 45497697 GESXMQMOMAOGEV-LHFJYWTJSA-N 370.581 6.724 0 1 FKAF Fc1cc(Cl)ccc1Nc1ncnc2[nH]c(CCc3ccccc3)cc12 49115037 OLTGDTOUJBNHPA-UHFFFAOYSA-N 366.827 5.279 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1cccc(-c2ccccc2)c1 49785019 HMVLUWSEBMKRRF-VOQZNFBZSA-N 351.490 5.903 0 1 FKAF O=C(c1ccc(Cl)cc1)N1CC[C@H]2C[C@@H]1c1cc(-c3ccccc3)ccc12 61942461 HPTURIHUUJWJEK-WMZHIEFXSA-N 373.883 6.082 0 1 FKAF CC(C)=CCn1cc(CN2CCCCC2)c2cc(-c3cccc(C)c3)ccc21 64540586 NFFTYRXJQSIFNG-UHFFFAOYSA-N 372.556 6.569 0 1 FKAF Cc1ccc(-n2ncc3c2-c2cc(Br)ccc2C(C)(C)C3)cc1 84634624 ZQLIRRQAWMTKAQ-UHFFFAOYSA-N 367.290 5.444 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[n+]3ccccc3)CCC[C@@]21C 96269538 ITZGIHXZLZSWCK-QIGHUWCUSA-N 368.629 7.114 0 1 FKAF CC1(C)CC2=Nc3ccccc3N[C@H](c3nc4ccccc4[nH]3)C2=C(O)C1 100617254 ICEFHFBOHQERMG-FQEVSTJZSA-N 358.445 5.434 0 1 FKAF CN1[C@H]2CC[C@H]1CC(Oc1cccc(C(F)(F)F)c1)(c1ccccc1)C2 101105308 HVXACPWJXGWCGY-ROUUACIJSA-N 361.407 5.236 0 1 FKAF CCCC[C@@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197803 SBTMBSWHVJFOKF-SNVBAGLBSA-N 359.417 5.046 0 1 FKAF O=C(CCCCCOc1ccccc1OCc1ccccc1)C(F)(F)F 115389191 APZJCGWGOPEWIO-UHFFFAOYSA-N 366.379 5.336 0 1 FKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 586887983 JXHNKVVCBKMCSG-MGPLVRAMSA-N 368.786 5.381 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3ccc(Br)cc3[nH]2)cc1 586899046 RQOQQCPHIRKKBK-UHFFFAOYSA-N 365.230 5.365 0 1 FKAF CC(C)[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@H]1C 586991194 QXXFUEUMJIVJOK-CJNGLKHVSA-N 357.453 5.159 0 1 FKAF Cc1cc(Br)c2[nH]c(-c3c[nH]cc3-c3csc(C)n3)nc2c1 587022322 WCBHTNDWOBDDKW-UHFFFAOYSA-N 373.279 5.061 0 1 FKAF COc1cc(/C=C\c2nc3ccc(O)cc3[nH]2)cc(Cl)c1OCC(C)C 587046027 CJUCHHLIVAKCCX-DAXSKMNVSA-N 372.852 5.136 0 1 FKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2cnc3ccccc3c2[nH]1 587048734 JUDFAIPXHQSZSI-RYUDHWBXSA-N 354.240 5.689 0 1 FKAF COc1ccc(NC(C)(C)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 587201810 VUYMCFXYYFFTEF-UHFFFAOYSA-N 367.346 5.077 0 1 FKAF CSc1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587227558 ZWKFVZPETIUYQR-INIZCTEOSA-N 361.511 5.041 0 1 FKAF CCCCCC[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358490 YRKFSCZQNAGTTI-FYYLOGMGSA-N 370.464 6.009 0 1 FKAF COc1cccc(-c2c([C@H]3CCOC3)c(C)nc3c2oc2ccccc23)c1 587367182 UJQOJSFAOWJWQD-INIZCTEOSA-N 359.425 5.469 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccccc13)(C(C)C)CC2=O 587482422 IWZSNICQEOPSDW-QHCPKHFHSA-N 363.457 5.343 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C(C)C)c2ccccc21 587484530 SRBOUBYXKMYWPQ-FDDCHVKYSA-N 350.458 5.349 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(C)c3)cc1)CC2=O 587485308 UOMVRXMBCKQDNN-DEOSSOPVSA-N 372.464 6.027 0 1 FKAF Cc1ccc(-c2cnc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c(C)c1 587516021 TUALIWROLMCCPR-OAQYLSRUSA-N 373.452 5.544 0 1 FKAF Cc1cccc(C)c1-n1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587516454 SXCZLHJEWGXVTH-QHCPKHFHSA-N 371.480 5.679 0 1 FKAF CC(C)=C1NCCc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc21 587528267 YLAVBDLJOWNLPH-HSZRJFAPSA-N 373.496 5.169 0 1 FKAF Cc1ccccc1[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587532675 RTYBDMAYOWJSKC-XMMPIXPASA-N 374.505 5.844 0 1 FKAF O=C1C[C@H](c2cccc(-c3nccs3)c2)Oc2c1ccc1c2CCCC1 587536068 QWNJNOVDGFDXOZ-HXUWFJFHSA-N 361.466 5.395 0 1 FKAF CC(C)=CC[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601233 FTLYTSSPFSESAC-REWPJTCUSA-N 364.441 5.249 0 1 FKAF CC1(C)CC(C)(C)CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603030 KNPGRFHCCSLGIP-SFHVURJKSA-N 366.457 5.329 0 1 FKAF O=C(c1cccc(OC(F)F)c1)c1c(C(F)(F)F)[nH]c2cccc(F)c12 587633790 LXKLGTOGAWEIAB-UHFFFAOYSA-N 373.252 5.158 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2Cl)N1 587734110 SSPJVMBZJJJXBF-VPTHRUTESA-N 372.640 5.004 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cc(C)c(Cl)cc3[nH]2)c1 587780721 ZPINAXOMIBJHLW-UHFFFAOYSA-N 362.860 6.257 0 1 FKAF CCCC1CCC([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587818402 CYQSKLYACCQOHL-HKWLTPLLSA-N 368.334 5.770 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCC(C)(C)C2)N1 587819187 HGSBZKKPJOWTHR-PEBVRCNWSA-N 354.307 5.380 0 1 FKAF CC(C)=CCC[C@@H](C)C[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821031 SGPWAVAIHZAOOR-TYILLQQXSA-N 368.334 5.936 0 1 FKAF Fc1cccc(F)c1-c1c(Cl)ncn1-c1ccc(OC(F)(F)F)cc1 1772601352 QXNIZKWTVAEBOB-UHFFFAOYSA-N 374.696 5.370 0 1 FKAF Cc1ncccc1COc1ccc(-c2cccc(C3CCNCC3)c2)cc1 1772627543 ABQOLQKFNLZDIM-UHFFFAOYSA-N 358.485 5.103 0 1 FKAF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@@]12C 2356516472 YWASHUVXUAAFLL-IYTVDCSUSA-N 372.637 6.855 0 1 FKAF CCC=CCC=CCC=CCCCCCCCc1cc(O)cc(OC)c1 2356545876 QSAZGMNPQJKWDO-UHFFFAOYSA-N 356.550 7.143 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]3CCC4=C(C(=O)OC4)[C@@]3(C)CC[C@@H]12 2356796351 NDOOUOLTMVDOLY-UPQSTSMFSA-N 370.577 6.299 0 1 FKAF O=C(Nc1ccccc1)O[C@H]1CCCC[C@H](OC(=O)Nc2ccccc2)C1 6475608 SKWHOLRVDNSZNF-OALUTQOASA-N 368.433 5.185 0 1 FKAF biogenic CC1=C[C@@H]2c3c([nH]c4ccccc34)[C@H](c3c[nH]c4ccccc34)[C@@H]2C(C)(C)C1 14887124 CZJCZWZKBWLSQX-DQMJNTIXSA-N 366.508 6.871 0 1 FKAF biogenic CCc1cccc([C@@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)c1 15205509 WKIDGENURXTGJK-JOCHJYFZSA-N 374.436 5.004 0 1 FKAF biogenic Cc1ccc(-c2cc([C@H](O)[C@@H]3CCCCN3)c3cc(C)cc(C)c3n2)cc1 27524267 VOPRLSQHNFTEJF-URXFXBBRSA-N 360.501 5.003 0 1 FKAF Cc1ccsc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 28817178 GGAITJRZAAULQE-UHFFFAOYSA-N 363.526 5.130 0 1 FKAF CCCCCC[C@@H]1Cc2cc3c(cc2O1)OC[C@@H]1c2cc(O)ccc2O[C@H]31 39139081 RHVATCHRZSZOTC-ZDWFVDTJSA-N 366.457 5.276 0 1 FKAF biogenic CCCCCC(=O)S[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233095 UWYHYPCHQNFSPD-MRXNPFEDSA-N 371.333 5.771 0 1 FKAF Brc1ccc2c3c([nH]c2c1)[C@H](NCc1ccccc1)CCC3 40957248 KXBFWTYSHRXHFV-QGZVFWFLSA-N 355.279 5.098 0 1 FKAF CC[C@@H](C)Nc1cc(-c2nc3ccccc3nc2-c2ccc(F)cc2)ccn1 45252939 GOHDKZNWABSQCM-OAHLLOKOSA-N 372.447 5.708 0 1 FKAF CC[C@@H](N[C@H](C)c1ccccc1)c1ccn(-c2ccc(C(F)(F)F)cc2)n1 45289770 SKNFXIHUJHJEBB-DNVCBOLYSA-N 373.422 5.693 0 1 FKAF Cc1cccc(C)c1-c1cc(-c2nc(C)c(C)[nH]2)ccc1-c1ccncc1 45393336 WCFCPCSNZKOUAF-UHFFFAOYSA-N 353.469 6.039 0 1 FKAF CCCC[C@@H](CC)[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 59529651 KCOVIXLDRHLDSU-GWRACULGSA-N 366.542 5.140 0 1 FKAF CCCC(=O)Nc1cc(/C=C/c2ccccc2)nc(/C=C/c2ccccc2)n1 66100173 BXUYLEHYKUOMPA-YXLFCKQPSA-N 369.468 5.556 0 1 FKAF CCCCCNC(=O)[C@@H](Nc1nc(-c2ccc(C)cc2)cs1)[C@@H](C)CC 82195240 ZLVBUGDTXDNIQG-LPHOPBHVSA-N 373.566 5.252 0 1 FKAF Cc1ccc(C(Cc2ccccc2)(SCCN)c2ccc(C)cc2)cc1 84709874 NMPWDWDBTJIQFK-UHFFFAOYSA-N 361.554 5.482 0 1 FKAF CC[C@H]1CN(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]1c1cccc(F)c1 103190587 BOYAYDCAQXMQSM-SJCJKPOMSA-N 351.343 5.001 0 1 FKAF Cc1cc([C@@H](O)CN2CCCCCC2)c2nc(-c3ccccc3)ccc2c1 169338161 CFVQCRSMFFENPA-QHCPKHFHSA-N 360.501 5.120 0 1 FKAF CC(C)c1cc(-c2nc3ccc(Br)cc3[nH]2)c(O)c(C(C)C)c1 586896127 HBQNXHWIZVQNOR-UHFFFAOYSA-N 373.294 5.945 0 1 FKAF Fc1cc(Cl)cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587052202 YJAZHXPPONJZCK-RKDXNWHRSA-N 355.627 5.933 0 1 FKAF COc1cccc(-c2ccc(-c3nc4cc(F)cc(F)c4[nH]3)c(Cl)c2)c1 587052397 ROUWVNIKHBLVFP-UHFFFAOYSA-N 370.786 5.837 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC[C@H](C(C)(C)C)C4)-c1ccccc1C2=O 587102160 YXFQPHDRFOISKR-INIZCTEOSA-N 369.508 6.296 0 1 FKAF CC(C)(C)[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348633 AGYFLYZMWXTYQY-JQVVWYNYSA-N 354.421 5.085 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=CCCCC3)c1 587367475 SASJSXZQLRNGDI-UHFFFAOYSA-N 355.437 6.396 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cncc(-c3ccc(C)cc3)c1)CC2=O 587489726 NKSRFQOJTWDTCG-QHCPKHFHSA-N 373.452 5.422 0 1 FKAF O=C1C[C@H](c2ccc(F)cc2OCC2CC2)Oc2c1ccc1c2CCCC1 587505842 QGHNWVCMSCUATF-JOCHJYFZSA-N 366.432 5.200 0 1 FKAF CCOc1c(C)cc(C)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527562 XPWBCKLSUGDNKY-OAQYLSRUSA-N 350.458 5.287 0 1 FKAF Cc1cccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546940 RMBDKLIWADYHML-RXVVDRJESA-N 366.800 5.057 0 1 FKAF CC/C=C\CCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601154 FGIKFWCLFVAGKT-KFONASLZSA-N 352.430 5.249 0 1 FKAF CCc1ccc(-c2[nH]c3ccc([C@H](C)CC)cc3c2N2CCOCC2)cc1 587644283 SQVRCHHCQVWJSQ-QGZVFWFLSA-N 362.517 5.747 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](c3ccccc3)C2)N1 587818629 RNUGGPBVPTWSHW-OWDMVUQNSA-N 374.297 5.285 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cs2)N1 587844875 CJWLQNBLYABWHL-AYVTZFPOSA-N 374.706 5.101 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873491 GJPGRRLVVRIUEP-ZDUSSCGKSA-N 374.371 5.056 0 1 FKAF Fc1ccc(-c2csc(COc3ccc(Cl)cc3Cl)n2)cc1F 587922170 KLNLWPAKVZNABI-UHFFFAOYSA-N 372.223 5.974 0 1 FKAF COc1cccc([C@H](C)Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587931753 NNQLXDVWZDGJGO-QGZVFWFLSA-N 372.468 5.497 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 587933385 NCUMUOGDNSDNBY-QGZVFWFLSA-N 368.358 5.169 0 1 FKAF C[C@@]1(CC2CCCCCCCCCCC2)NCCc2c(C(=O)O)cccc21 963126027 VLKVSFMHDYPJRF-DEOSSOPVSA-N 371.565 6.057 0 1 FKAF O=C(Nc1cncc(-c2cc(-c3cccnc3)cs2)c1)C1CCCCC1 1857764892 FVGXAURJINKRHI-UHFFFAOYSA-N 363.486 5.391 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5COC(=O)[C@H]54)C3=CC[C@H]12 2356796010 MSEJIVNGRHWOTL-PYKARKRHSA-N 354.534 5.685 0 1 FKAF Cc1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc(C)c1O 4617923 TZQNFQCZKXEYMY-UHFFFAOYSA-N 359.404 5.267 0 1 FKAF CC(=O)OCC[C@H](C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)C(C(=O)O)=CCC[C@@H]21 13402558 HKAHDRQYQYSVMM-XOFRFHDUSA-N 364.526 5.219 0 1 FKAF CCCc1c(-c2ccc(O)cc2)oc(-c2ccccc2)c1-c1ccc(O)cc1 13558570 XXFXFSMRNTWLOL-UHFFFAOYSA-N 370.448 6.644 0 1 FKAF COc1cc(/C=C2\CCCc3cc4ccccc4nc32)ccc1OC(C)=O 13602665 WNWOPJRJCVYZRP-LDADJPATSA-N 359.425 5.046 0 1 FKAF Clc1cccc(Nc2[nH]nc3ncnc(Oc4cccc(Cl)c4)c23)c1 13766070 PDMAVKGRERGACM-UHFFFAOYSA-N 372.215 5.196 0 1 FKAF C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCSC3CC3)[C@H]1CCC2=O 14947083 KVBZDKAEXUSUQM-JFSTXAPLSA-N 370.558 5.273 0 1 FKAF CC(=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 26750708 GRVOAMBHUWXGTO-SXSJETLGSA-N 360.582 5.621 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@](C)(COP(=O)(O)O)CCC[C@@]21C 28336139 MWCJYWGELHFGRI-LASHMREHSA-N 374.502 5.781 0 1 FKAF N=C(N)c1ccc2cc(/C=C/c3ccccc3)cc(Br)c2c1 28361332 QHYGSRQJBXWIGI-VOTSOKGWSA-N 351.247 5.057 0 1 FKAF in-vivo Fc1ccccc1-c1ccc2c(Nc3ccc(C(F)(F)F)cc3)noc2c1 45289173 CQIMDHAAOYJTDM-UHFFFAOYSA-N 372.321 6.396 0 1 FKAF CC(C)NO[P@]1(=O)C=C(c2ccccc2)c2ccc(C(C)(C)C)cc2O1 82052896 CDFMHECLCRTQRX-SANMLTNESA-N 371.417 5.888 0 1 FKAF CC1(C)[C@H]2CC[C@@H](CNc3cc(Oc4ccccc4Cl)ncn3)[C@@H]1C2 82067419 YWMBVCXILUAJCY-KKUMJFAQSA-N 357.885 5.407 0 1 FKAF Cc1c(-c2ccc(OC3CCC(F)(F)CC3)cc2)[nH]c2ccccc2c1=O 84652263 AIQKKJZQNAYEGE-UHFFFAOYSA-N 369.411 5.460 0 1 FKAF CN(C)C(=O)O[C@@H](c1cnccc1C(F)(F)F)c1cccc2ccccc12 103198758 INABRMVVKWVYMD-GOSISDBHSA-N 374.362 5.041 0 1 FKAF Fc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1 139397720 ZFHDKSUMFHBGGN-UHFFFAOYSA-N 357.388 5.819 0 1 FKAF COc1cc2c(Cc3cnc4cc(C)ccc4c3)cnc(C)c2cc1OC 145117375 NWBMXFYGRSIRLC-UHFFFAOYSA-N 358.441 5.008 0 1 FKAF COc1ccc([C@H]2CC(=O)[C@H]3Sc4cc(Cl)ccc4N=C3C2)cc1 169715489 KTGZZKRFWDJBJL-BLVKFPJESA-N 357.862 5.042 0 1 FKAF Nc1oc2c(C3CCCCC3)nccc2c1Nc1ccc(F)c(Cl)c1 223028102 IUXCTLBDXIQRBV-UHFFFAOYSA-N 359.832 5.994 0 1 FKAF CCO[C@@H](CC(=O)O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 473098172 FMXCAZLOPQQWRQ-INIZCTEOSA-N 355.217 5.338 0 1 FKAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)s1 587014978 UXPAMHKGYJKIOP-VIFPVBQESA-N 355.385 5.111 0 1 FKAF c1ccc(-c2nc3cc4ccccc4cc3[nH]2)c(OCc2cscn2)c1 587029959 VZGNTCNSTHQGJR-UHFFFAOYSA-N 357.438 5.419 0 1 FKAF Cc1cncc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587048034 PHJKHXPUYXKNLZ-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF Fc1cc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2cc1Cl 587073763 MGNSQPUNKWEWLW-KRWDZBQOSA-N 364.251 5.346 0 1 FKAF Cc1ccc2c(ccc3nc(-c4ccnc(SCC(F)(F)F)c4)[nH]c32)n1 587093690 QHXDBYNYFRUIFC-UHFFFAOYSA-N 374.391 5.136 0 1 FKAF Cc1ccc2c3c(cc(-c4c[nH]c5cccnc45)nc13)-c1ccccc1C2=O 587096090 GKRKIWVWQHBWPX-UHFFFAOYSA-N 361.404 5.298 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(F)cc3Cl)nc3cccc1c23 587102594 BCSQPISDBODHOD-UHFFFAOYSA-N 359.787 5.906 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cc(Cl)cnc4[nH]3)c2)c1 587160256 ODRVYGJZGVYVQJ-UHFFFAOYSA-N 353.784 5.093 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H]3CC(=O)O)c1 587366924 SESRBUKRTCUTRG-AWEZNQCLSA-N 373.408 5.161 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1C)(C1CCC(C)CC1)O2 587406700 UFZVFCSGNDEIOU-OAUBMEFKSA-N 363.501 5.573 0 1 FKAF O=C1C[C@H](c2ccc(-c3cccc(F)c3)nc2)Oc2c1ccc1c2CCCC1 587502127 IHUHSUCAQJTBSS-HSZRJFAPSA-N 373.427 5.473 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1C(F)F 587552686 BINSPEZOEMFGAK-PXNSSMCTSA-N 368.335 5.033 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C)CC(C)(C)C2)N1 587822359 JYVHGVHEUVBAEJ-LBPRGKRZSA-N 368.334 5.554 0 1 FKAF Cc1cc2c(cc1F)[C@@](c1ccccc1)([C@H](c1ccccc1)C(C)C)NCC2 962294160 ARTPCAMHWXEGQE-UIOOFZCWSA-N 373.515 5.963 0 1 FKAF Cc1ccccc1C[n+]1ccc(Cn2c3ccccc3c3ccccc32)cc1 1857536889 CSMNOBOEDLSCBJ-UHFFFAOYSA-N 363.484 5.487 0 1 FKAF NCc1cc(Oc2cccc(Nc3ccccc3)c2)nc(C(F)(F)F)c1 1857580053 MZSAMHOCTRNOIZ-UHFFFAOYSA-N 359.351 5.095 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOC[C@@H](O)CO 2356457884 DOQOVRQWQQJATN-QHCPKHFHSA-N 364.570 5.502 0 1 FKAF CC1=CC[C@]2(C)CC[C@H]([C@H](C)C(=O)O)[C@@H]2CC=C(C)[C@H]2CC[C@@H](C)C2=CC1 2356644201 WKRVJDAEDJTSCC-KFSXKYRISA-N 370.577 6.789 0 1 FKAF CC1=CCC(C)(C)C=CC[C@]2(C)Oc3cc(O)cc(C)c3C[C@H]2C[C@@H]1O 2356690263 QTNDIUYXNQSFIE-NYDSKATKSA-N 356.506 5.084 0 1 FKAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1c(C)cc(O)cc1C 2011796 YBTABVFNGKYNNT-UHFFFAOYSA-N 364.445 5.292 0 1 FKAF N=c1sc(-c2ccccc2F)nn1-c1c(Cl)cc(Cl)cc1Cl 29411003 GKECRBZEIZRCRP-UHFFFAOYSA-N 374.655 5.180 0 1 FKAF CC(C)Oc1ccc(/C=C/c2cc(OC(C)C)cc(OC(C)C)c2)cc1 34504960 LPOGMZWXFAZRMV-BQYQJAHWSA-N 354.490 6.219 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCc1cc(O)cc(O)c1 34727278 JTGHOMGAWPTPRU-LTKCOYKYSA-N 368.561 7.396 0 1 FKAF Cc1c(C)c2c(c(-c3cc(-c4ccc(F)cc4)no3)c1O)CCC(C)(C)O2 72112030 AZVGBCGUTFLSQJ-UHFFFAOYSA-N 367.420 5.574 0 1 FKAF O[C@H](CCN1CC=C(Cc2ccccc2)CC1)c1csc2ccccc12 84756889 QXCOEFGWAUGVTR-JOCHJYFZSA-N 363.526 5.200 0 1 FKAF CSc1ccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2)s1 95582442 XKZZWDPWBWDSNU-LJQANCHMSA-N 366.511 5.265 0 1 FKAF CC(C)c1ccc(Cn2ccc3nc(-c4cccc(F)c4F)nc-3c2)cc1 100068578 GJVNZNVVLVNVLN-UHFFFAOYSA-N 363.411 5.500 0 1 FKAF CCC(C)(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 101680317 VPRGZBLRSGAWRB-MXVIHJGJSA-N 368.565 5.035 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(Br)cc2)CCC1 103921394 PTNFICLHUHETDQ-LJQANCHMSA-N 369.262 5.684 0 1 FKAF Oc1ccc2c(c1)CCc1c(-c3ccc(SC(F)(F)F)cc3)noc1-2 169348325 VQFHGOQAYNSLPC-UHFFFAOYSA-N 363.360 5.425 0 1 FKAF C[C@H]1CCCC/C(=C\Cl)C[C@H](C(C)(C)C)CC(=O)C/C=C/N(C)C1=O 238753317 PEHOQRLZZGCHCP-CCDBIGNWSA-N 367.961 5.693 0 1 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@H]2[C@@H](C)N(C)C)C1 257494077 NLOJUKSOUNWUSW-BNBBDGPSSA-N 360.630 5.183 0 1 FKAF CCCCC[C@@H]1Cc2c(cc(O)c3c2OC(C)(C)C2=C3C[C@H](C)CC2)[C@H]1C 299849336 JYBKWVOBWXXRBB-IXDOHACOSA-N 368.561 6.993 0 1 FKAF Cc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1F 586974763 GYFKTZYZYMNVQY-UHFFFAOYSA-N 374.040 5.747 0 1 FKAF Cc1cc(Br)cc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc12 587032806 BDBJDJWULAAMAK-SECBINFHSA-N 361.308 5.487 0 1 FKAF c1ccc(Sc2ccc3nc([C@@H]4Cc5ccccc5S4)[nH]c3c2)cc1 587041989 RDOZKRUJKFAKRJ-FQEVSTJZSA-N 360.507 6.104 0 1 FKAF Clc1ccc(CC2(c3nc4ccc(Oc5ccccc5)cc4[nH]3)CC2)cc1 587073917 NQDMPVQJRUOPOK-UHFFFAOYSA-N 374.871 6.283 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc4cc(F)ccc4o3)nc3cccc1c23 587104551 RLSJEJGOMDFVKE-UHFFFAOYSA-N 365.363 5.999 0 1 FKAF Cc1ccc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c2c1 587146067 XWBZFKCNQXQMOR-UHFFFAOYSA-N 350.824 6.306 0 1 FKAF COc1ccc(-c2ccc(-c3nc4cc(C)cc(F)c4[nH]3)c(F)c2)c(F)c1 587150397 DCESTBDVLPXWFV-UHFFFAOYSA-N 368.358 5.631 0 1 FKAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587169121 SRVKOOWBOCHRBP-MRVPVSSYSA-N 374.721 5.394 0 1 FKAF Oc1nccc2c(Oc3c(-c4ccccc4)[nH]c4cccc(F)c34)cccc12 587636812 JSKQSZBLZZZDAS-UHFFFAOYSA-N 370.383 6.020 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C[C@H]2c2ccccc2)N1 587816131 URDKEYGAZHQLET-BWYUNELBSA-N 374.297 5.141 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCc3ccccc32)N1 587817171 IZKLLBLJWPFWSI-RBZFPXEDSA-N 374.297 5.092 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccccc3c2)N1 587824774 YLAARMYGBZYLOK-MPBGBICISA-N 370.265 5.365 0 1 FKAF Oc1ccccc1-c1cc(-c2ccsc2)cc(-c2cccc(Cl)c2)n1 653737368 FPXFWQSIBAKKAZ-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF CC(C)c1cccc2c1Sc1ccccc1[C@]21NCCc2ccc(O)cc21 963354732 ZFXDEPUWJVRWCH-DEOSSOPVSA-N 373.521 5.418 0 1 FKAF c1cc2c(c(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c1)OCO2 1772643009 VNTUKPYPJVHFHA-UHFFFAOYSA-N 366.420 5.558 0 1 FKAF O=C(Nc1cccc2[nH]ccc12)c1cc2cccc(Br)c2s1 1857570753 CAFZTNBRXBLOPT-UHFFFAOYSA-N 371.259 5.397 0 1 FKAF C[C@]12CC[C@H](OCc3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@@H]12 2356680899 XVAQUNQDQASSEH-KXOHBEHESA-N 366.589 7.005 0 1 FKAF CCCCCn1nc(C(C)(C)C)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 2382246696 WXLZERCBQYUZSS-UHFFFAOYSA-N 371.569 5.069 0 1 FKAF CC(C)=CCN1Cc2cccc3nc(Sc4ccccc4)n(c23)C[C@H]1C 5890376 ZBJVYFQKNIPWPO-QGZVFWFLSA-N 363.530 5.358 0 1 FKAF CC1(C)CCC(C)(C)c2cc([C@H]3CCCc4oc(C(=O)O)cc43)ccc21 13560366 ORVWRLJXZZBPEJ-OAHLLOKOSA-N 352.474 5.795 0 1 FKAF Cc1ccccc1Nc1nc(N(C)c2ccc(F)cc2)c2ccccc2n1 13742293 BTYZMQXTCWZFME-UHFFFAOYSA-N 358.420 5.589 0 1 FKAF 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@]12C 13783856 FEGCPHIPSRBREU-OOHUVDEHSA-N 374.565 5.283 0 1 FKAF COc1cc2c(c3c1[C@H](OC)C[C@@H](c1ccccc1)O3)C=COC2(C)C 14439341 BGZPWFYXIHPTOV-PKOBYXMFSA-N 352.430 5.143 0 1 FKAF biogenic CCc1cc(-c2ccc(N(C)C)cc2)cc(-c2ccc(N(C)C)cc2)[s+]1 28649305 LJLGAAXPVCSPRE-UHFFFAOYSA-N 363.550 6.058 0 1 FKAF CS[C@H]1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1 29479526 OPWKHQLCVNALOU-INIZCTEOSA-N 359.292 5.255 0 1 FKAF O=C(c1ccc(NC2CCCCC2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 64559411 LFMHTUADSRDWLA-RTWAWAEBSA-N 353.893 6.071 0 1 FKAF COc1cccc(-c2nc(CN[C@H](C)c3cccc4ccccc34)co2)c1 72185534 CAYUSMFYDXFHKO-MRXNPFEDSA-N 358.441 5.354 0 1 FKAF CCCCCn1c(C(C)C)nc2c(NCc3cccc(Cl)c3)ncnc21 82181345 NXNAVWCZXYIJCS-UHFFFAOYSA-N 371.916 5.405 0 1 FKAF CCCC[C@@H](Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OCC 169321141 LWBAZNWEBYRPHO-GOSISDBHSA-N 364.526 5.488 0 1 FKAF CCCCCNC[C@@H](O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 169325761 KYADBKGHEZGXFJ-XMMPIXPASA-N 360.501 5.229 0 1 FKAF Cc1cc(/C=C2/SC(=O)NC2=O)ccc1OCCCCC1CCCCC1 215025267 ZKWDVBASPHIGDE-XMHGGMMESA-N 373.518 5.448 0 1 FKAF O=C(O)c1n[nH]c2cc(Cl)c(-c3ccc(C4CCCCC4)cc3)cc12 216022374 FFRCBYUAINZCSO-UHFFFAOYSA-N 354.837 5.629 0 1 FKAF C/C1=C\CC(C)(C)/C=C/C/C(COC(=O)/C=C\c2ccc(C)cc2)=C/CC1 238755394 ZWLXFBYSDMETNJ-FPJLUQMPSA-N 364.529 6.581 0 1 FKAF FC(F)(F)Oc1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Cl 586882752 AZDVFPWXJFMLLO-YBIKONCISA-N 370.802 5.583 0 1 FKAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3occ4c3CCC4)nc2c1 586904886 CUZHJOQETMLUKB-UHFFFAOYSA-N 360.257 5.349 0 1 FKAF Cc1c(O)ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1O 587100567 CZJVEBYHSJPOIZ-UHFFFAOYSA-N 367.404 5.141 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(-c3cccc(-c4ccccc4F)c3)nc2c1 587153111 LOLXLHGKSDTJPJ-UHFFFAOYSA-N 374.312 6.194 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)cc1 587241750 AABNPFUMAMQHHW-UHFFFAOYSA-N 371.227 5.381 0 1 FKAF CC1(C)[C@@H]2C[C@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352179 LZJFIFNPGCMBNG-MTPDAKBKSA-N 366.432 5.085 0 1 FKAF CC[C@]1([C@@H]2CC2(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354164 NHTXDYHPGIKKRH-WOIUINJBSA-N 354.421 5.085 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](OC(C)C)C3)c1 587364474 AYMHMJBPNFWSGD-IBGZPJMESA-N 359.425 5.679 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c3c(Cl)cccc13)CC2=O 587462171 PLSWGRXAMQGQIV-GOSISDBHSA-N 369.848 5.494 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c3ccc(Cl)cc3c1C)CC2=O 587463744 YHSJOOZZZQWTPC-LJQANCHMSA-N 369.848 5.494 0 1 FKAF C[C@]1(c2ncc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587505260 ZGGYAPHMAWLAAO-LJQANCHMSA-N 362.256 5.148 0 1 FKAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2OCC(F)(F)F)cc1 587624223 GIGULKHDWPPPJO-UHFFFAOYSA-N 353.771 6.046 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCCCCCCC2)N1 587817537 LTZQZIUNHJSNDV-CYBMUJFWSA-N 354.307 5.452 0 1 FKAF CC(C)=CCC[C@H](C)C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820938 RJCSXVAHAWKDLS-VBQJREDUSA-N 368.334 5.936 0 1 FKAF CC[C@@H]1CC[C@H](C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823684 QYNSVMVFTHGNGT-NXKACYDGSA-N 354.307 5.164 0 1 FKAF Fc1ccc(F)c(-c2csc(-c3ccc(OCC(F)(F)F)nc3)n2)c1 587921522 BPAJYAWHAHDBDU-UHFFFAOYSA-N 372.318 5.091 0 1 FKAF Fc1ccc(F)c(-c2csc(-c3ccc(Br)cc3F)n2)c1 587921697 SLOKBEBZJMJMTP-UHFFFAOYSA-N 370.193 5.657 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cccc(Br)c2[nH]1 587951753 ZWEOHBVKFXNIHR-ZOWXZIJZSA-N 351.288 5.372 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCc1ccc(-c3ccccc3)cc12 963226101 GLODHBFIXAYLAA-NFQMXDRXSA-N 367.536 6.200 0 1 FKAF Oc1cccc(-c2cc(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 1772582246 XPSQEUGZNSTXQX-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF CC1=CCCC(C)(C)[C@H]1Cc1cc(C=Cc2cc(O)cc(O)c2)ccc1O 2356436446 MEWJXXAKBKFVOS-QFIPXVFZSA-N 364.485 5.899 0 1 FKAF CCCCc1c(Cc2cccc(F)c2)ncn1CCc1ccccc1OC 95564621 RCMGSDVXQICTOK-UHFFFAOYSA-N 366.480 5.207 0 3 FKAF COc1ccc([C@H](Cc2cccnc2)c2ccccc2)cc1OC1CCCC1 13441952 GSTBLRBCBAOMLM-HSZRJFAPSA-N 373.496 5.786 0 1 FKAF C[C@@H]1C[C@@](C)(CCCCCCCCCCCCc2ccccc2)OC1=O 13460468 FAIZHPBXQAJJPL-ZJSXRUAMSA-N 358.566 6.862 0 1 FKAF biogenic CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@@H]1C[C@H](C)CCC=C(C)C 26816644 DUQKWXIFKLCNNB-UHQTYDMFSA-N 363.498 5.103 0 1 FKAF Oc1ccc([C@@]2(c3ccccc3)[C@H](c3ccccc3)C2(Cl)Cl)cc1 28106668 BXXFQDJABDJKOP-PMACEKPBSA-N 355.264 5.650 0 1 FKAF CCC[C@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)OC)c[nH]c1=S 28355952 XEHHNMUNGMWQNR-GFCCVEGCSA-N 359.278 5.029 0 1 FKAF O=C(O)/C=C/c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)c(O)c2)cc1 28464989 AWCJBJYRCLTNBY-FPYGCLRLSA-N 374.480 5.625 0 1 FKAF CCCC[C@H](NC(=O)c1cccn1C(C)C)c1c(F)cccc1Cl 29048074 ORTKEOQJFKWELM-INIZCTEOSA-N 350.865 5.523 0 1 FKAF CCCCCCSc1ccc(C(=O)CCN2C[C@@H]2C)c(Cl)c1Cl 43076414 APGLOJXHKLCBCF-JRTLGTJJSA-N 374.377 5.943 0 1 FKAF CS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)sc2c1 64527114 JAKUKOMJMJHFIJ-UHFFFAOYSA-N 365.479 5.034 0 1 FKAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc2[nH]cnc12 82153715 XDTVPMKWJNHRLX-UHFFFAOYSA-N 365.440 5.040 0 1 FKAF CCCC[C@@H](CC)CNc1cc(-c2ccc3ncsc3c2)nc(C)n1 142119162 UTENKYGPOONNJU-OAHLLOKOSA-N 354.523 5.690 0 1 FKAF CC(C)(C)c1cc(-c2nc3nc(-c4ccccc4Cl)ccc3[nH]2)on1 149448129 MYCUEXZJUIWZSE-UHFFFAOYSA-N 352.825 5.231 0 1 FKAF CCCCN(CCCC)C[C@H](O)c1cc2sccc2c2ccsc12 169336954 PFFPJPSMUBTFOT-SFHVURJKSA-N 361.576 6.052 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)c1cc[n+]([O-])cc1-2 169347745 AXLWAEOWFSXFSS-HOTGVXAUSA-N 369.505 5.640 0 1 FKAF CN[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@@]4(C)[C@@H]3CC[C@]12C 255271218 UEKVZUNZRGTHJS-ZDGYXCSJSA-N 360.630 5.183 0 1 FKAF CC(C)Nc1cc(NC(=O)c2c(F)cccc2F)cc(C(F)(F)F)c1 299836721 HTFLIVOZSFVGEJ-UHFFFAOYSA-N 358.310 5.056 0 1 FKAF CCc1ccc(-c2nc(-c3nc4cccc(C(C)(C)C)c4[nH]3)cs2)cc1 587016233 SGAATYGKTXCPHA-UHFFFAOYSA-N 361.514 6.213 0 1 FKAF Clc1cc(-c2nc3ccc(Br)cc3[nH]2)c2ccccc2n1 587085233 NXRGFCJJDKMISW-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF Fc1c(Cl)ccc(Br)c1-c1cc2c3c(cccc3n1)CC2 587210620 SNFKHUCWROIIHH-UHFFFAOYSA-N 362.629 5.555 0 1 FKAF CCCC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351652 KKTGCPPMSOSECS-HEBXWJCKSA-N 368.448 5.619 0 1 FKAF COc1cccc(-c2cc(CCC3CCCC3)nc3c2oc2ccccc23)c1 587365322 JNIHYJTUBFSNGP-UHFFFAOYSA-N 371.480 6.779 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ccco1)CC2=O 587479781 JCVIIWVEFSQCAL-QHCPKHFHSA-N 362.425 5.155 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1oc3ccccc3c1C)CC2=O 587479817 JIXHAOWRHVFXJH-JOCHJYFZSA-N 350.414 5.280 0 1 FKAF CC(C)[C@]1(c2cc(F)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587503555 HKYXEKFBEFFCTG-QFIPXVFZSA-N 356.412 5.360 0 1 FKAF C[C@]1(C2CCC(C(F)(F)F)CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587510310 ZZLKHLCXKYFSNM-NODKNVJMSA-N 366.423 5.658 0 1 FKAF CC(C)(C)c1ccc2c(c1)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587526841 TYPKPQJVEFVGIH-AREMUKBSSA-N 374.524 6.060 0 1 FKAF CC[C@]1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 587530102 AZIVCIAHLXTFKN-RPWUZVMVSA-N 362.469 5.377 0 1 FKAF C[C@]1(C2CCCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602010 HTZYVBNHFDXQQB-DENIHFKCSA-N 352.430 5.083 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(F)cc1Br 587628952 CASYPMLYFRZEKH-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF CCOc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1C 587779241 ZNGGQDVGAGEYAN-UHFFFAOYSA-N 365.658 5.353 0 1 FKAF CC(C)CC[C@@H]1CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587817788 BAJUNQJXWHMGGN-ZUEVXXBESA-N 368.334 5.554 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C[C@@H]1CC(C)(C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356483 QOMRWXZPIFQNAQ-PXROXKMBSA-N 354.421 5.085 0 1 FKAF CC(C)c1nc2cccc3c2c(c1Cc1ccc(Br)s1)CC3 587358093 ATXCVWFIVOXWHE-UHFFFAOYSA-N 372.331 5.872 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C(C)=O)CC3)c1 587367782 VQMSNFYBFNZITB-MRXNPFEDSA-N 357.409 5.275 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(Cl)cc3)cc1)O2 587379462 ITXJXDFCCWXMDR-NRFANRHFSA-N 363.844 5.604 0 1 FKAF CC(C)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515670 NWPUNERPRVIJLE-QHCPKHFHSA-N 359.469 5.808 0 1 FKAF CC(C)(C)Oc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520445 BSIFECJBUIIALR-DEOSSOPVSA-N 364.485 5.623 0 1 FKAF O=C1C[C@@H](c2ccc(C(=O)C3CCCC3)cc2)Oc2c1ccc1c2CCCC1 587522558 FSZOTSVDZBIALU-QHCPKHFHSA-N 374.480 5.645 0 1 FKAF CCCC[C@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531893 IPQQMXIZOLQJQK-HSZRJFAPSA-N 350.458 5.322 0 1 FKAF CC1(C)CCc2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2C1 587536530 VWPMHQRLDJSKEA-SFHVURJKSA-N 367.514 5.243 0 1 FKAF Cc1c(CCc2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 587628358 LXSAXKKRKFOWLT-UHFFFAOYSA-N 366.661 5.817 0 1 FKAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587815219 KTLQZBVVGDFKSJ-DJJJIMSYSA-N 362.286 5.003 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](c3ccccc3)C2)N1 587819653 WFVVCRBXSQNXIR-ZQGRQUNCSA-N 374.297 5.285 0 1 FKAF Cc1cc(OC(C)(C)C)n(CCCc2ccc(Cl)c(Cl)c2)c1O 587943061 KCPGIKYSEUEFCN-UHFFFAOYSA-N 356.293 5.619 0 1 FKAF O=Cc1cc2sc([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)cc2s1 963101086 JESDEYCSISLWOK-BFUOFWGJSA-N 357.475 5.024 0 1 FKAF Fc1cccc2c1[C@@H](c1c(Cl)ccc(Cl)c1F)N1CCC[C@H]1C2 963111705 QYYQFWWNZYRIFJ-VOJFVSQTSA-N 354.227 5.382 0 1 FKAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](SC(=N)N)CC[C@]4(C)[C@H]3CC[C@]12C 1857623341 BVOSELRYSDLZIT-MEOCLINRSA-N 374.594 5.150 0 1 FKAF COc1cc2c(c(C)c1O)C=C[C@](C)(CCC=C(C)CCC=C(C)C)O2 2356588571 AGUVEQLHXOYHEK-QHCPKHFHSA-N 356.506 6.346 0 1 FKAF CC(C)c1cc(Oc2c(Cl)cc(CCC(=O)O)cc2Cl)ccc1O 13517891 FKBQYOTZXSTGOY-UHFFFAOYSA-N 369.244 5.632 0 1 FKAF CCCCCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27557346 MHABHCAJOQWEKI-KBAYOESNSA-N 374.546 5.618 0 1 FKAF CC(C)=CCC[C@]1(C)CCC[C@]2(C)C(CC/C(C)=C/C(=O)O)=C(C)CC[C@@H]12 34215765 VMXBEUNFNFIWLY-UQHDQXJESA-N 372.593 7.467 0 1 FKAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2c2ncc(-c4ccccc4)o2)N3C)cc1 36270954 GUXROWKWRXBXAG-JFYQVNSESA-N 358.485 5.384 0 1 FKAF CSc1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1 40935561 KXUWRZHTWLEVRW-UHFFFAOYSA-N 367.257 5.344 0 1 FKAF COc1ccc(COC[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 43066720 JKQQSTKJLCSUQR-GOSISDBHSA-N 360.453 5.247 0 1 FKAF Cc1ccccc1C1CCN(c2ccc(C(=O)Nc3ccccc3)cn2)CC1 45230267 WQFUWPJCNSPQRK-UHFFFAOYSA-N 371.484 5.026 0 1 FKAF O=C(O)c1cc(-c2cccc(Cl)c2Cl)cnc1N1CCCCCC1 45285337 INLYRLVAMGTAHS-UHFFFAOYSA-N 365.260 5.134 0 1 FKAF Fc1cccc(-c2nc3ccccc3c3oc(Nc4ccccc4)nc23)c1 49114516 BRXNTFBAKLBXBS-UHFFFAOYSA-N 355.372 5.926 0 1 FKAF C[C@H](CNc1cc(-c2ccc(C(F)(F)F)cc2)ncn1)c1ccccc1 82161989 FWLIYAMVAWCXSN-CQSZACIVSA-N 357.379 5.378 0 1 FKAF CC[C@@H](C)Cn1c(CC(C)(C)C)nc2c(NCc3ccccc3)ncnc21 82178728 CPKSNAGFSJLMEL-MRXNPFEDSA-N 365.525 5.073 0 1 FKAF O=C(O)CCc1ccc(OCc2cc(F)ccc2-c2ccccc2)cc1 84689557 XACUVPAYSAXEIP-UHFFFAOYSA-N 350.389 5.089 0 1 FKAF COc1ccc(C(=O)c2c(-c3ccc(OC)cc3)oc3cccc(O)c23)cc1 96922068 OHIBDEZWRQPUNQ-UHFFFAOYSA-N 374.392 5.054 0 1 FKAF CC(C)[C@@H]1C(O)=C(c2ccc3ccccc3c2)C(=O)N1CC1CCCCC1 101774341 YOLGLKVVEBTMHH-JOCHJYFZSA-N 363.501 5.556 0 1 FKAF O=C(/C=C/C=C/CCCCCCc1ccc2c(c1)OCO2)N1CCCCC1 103186111 SQCPJUNCCWGGSM-UYGNLJLNSA-N 369.505 5.033 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 105027825 QBEFIFWEOSUTKV-OKZBNKHCSA-N 370.577 7.457 0 1 FKAF Cc1cccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)o2)c1 299835685 MKSFRRCCGLAFHI-UHFFFAOYSA-N 355.397 5.377 0 1 FKAF CC1(C)CC(C)(C)c2cc(NC(=O)/C=C/c3ccc(N)cc3)ccc2S1 299868259 ZLXQBGMHVACAIK-KPKJPENVSA-N 366.530 5.473 0 1 FKAF Cc1ccc2c3c(cc(C[C@@H]4C[C@H]5CC[C@H]4C5)nc13)-c1ccccc1C2=O 587099462 JVNZYEKJADIBCJ-ULQDDVLXSA-N 353.465 5.733 0 1 FKAF C/C(=C\c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1ccccc1 587103922 KZVAJXOJEJSTPR-JQIJEIRASA-N 362.432 5.919 0 1 FKAF Cc1cncc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587110961 LNJQPUXGBDCMMC-UHFFFAOYSA-N 373.300 5.089 0 1 FKAF Fc1cc(F)c2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2c1 587125915 VPKDNHCJFOIVBQ-UTCJRWHESA-N 356.319 5.623 0 1 FKAF COc1c(F)cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1F 587135043 QXFHAYZRYFRKNF-UHFFFAOYSA-N 366.367 5.096 0 1 FKAF Fc1ccc(-c2ccccc2-c2nc3c(F)cnc(Cl)c3[nH]2)cc1F 587144759 DOBOPPHDMVLUCO-UHFFFAOYSA-N 359.738 5.363 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccc(Cl)c3[nH]2)c1 587196164 RHFUNKWSPVQOAY-UHFFFAOYSA-N 371.868 5.563 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([C@@H](C)CC)cc1)CC2=O 587477995 AJKQMQSCOLXHKI-NPMXOYFQSA-N 352.474 5.739 0 1 FKAF O=C1C[C@@H](c2ccc(F)c(OC(F)F)c2)Oc2c1ccc1c2CCCC1 587501141 AMTMQNBWQQRVEM-KRWDZBQOSA-N 362.347 5.012 0 1 FKAF CCCCCC[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600164 MMTGZGOZPCNRLG-KNQAVFIVSA-N 354.446 5.473 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)N(C)Cc1ccccc1Cl 587628844 RTZLUYQBDMVAKX-UHFFFAOYSA-N 365.235 5.194 0 1 FKAF Cc1ccc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587815852 QOBYWONTUKROGN-DJJJIMSYSA-N 362.286 5.003 0 1 FKAF Cc1cccc2c1[C@H](C)C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587818341 QQGZQVDGTWVFCV-MTJIALIYSA-N 374.297 5.182 0 1 FKAF Fc1ccc(F)c(-c2csc(-c3ccc(Oc4ccccc4)cc3)n2)c1 587922484 TUJVFPWUEMLESU-UHFFFAOYSA-N 365.404 6.548 0 1 FKAF Cc1cc(C)c([C@@H]2c3ccsc3CCN2Cc2cccn2C)cc1C 962398237 MJDYNCCHRDTXKU-QFIPXVFZSA-N 350.531 5.160 0 1 FKAF CCCN1[C@H](c2cncc3nc(C(C)(C)C)oc23)c2ccccc2C[C@H]1C 963235611 XBNUKIIMLXYKLT-QRWLVFNGSA-N 363.505 5.266 0 1 FKAF CC1=C[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)CC[C@@H](C(C)C)[C@]2(O)CC1 2356502162 ZJMCLZQHFRSWIZ-HIGZBPRKSA-N 368.517 5.155 0 1 FKAF CC(=O)c1cccc(-c2ccc3c(=O)[nH]c(Nc4ccccc4)cc3c2)c1 15952499 GUHQLBYKFGJDOL-UHFFFAOYSA-N 354.409 5.141 0 3 FKAF CCCCCCN(C(=O)c1cc2cc(O)ccc2n1C)c1ccccc1 13652175 KEXOILIIEGWNPZ-UHFFFAOYSA-N 350.462 5.111 0 1 FKAF CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)Cc1c(O)c(O)cc2ncoc12 14612121 PKFRXFDKJHUTSK-SRBBEKPSSA-N 355.478 5.580 0 1 FKAF biogenic COc1ccc([C@H]2Sc3c(Cl)cccc3-n3cccc3C2=O)cc1 29224112 OFQRSSBIOOSTFD-GOSISDBHSA-N 355.846 5.169 0 1 FKAF O=C(O)CCCCCCCCCCCNC(=O)C/C=C/c1ccccc1 38963075 JZSCQWKDVIOTCB-DTQAZKPQSA-N 359.510 5.192 0 1 FKAF Cc1ccccc1OCc1nnc(-c2cc(F)c(Cl)cc2Cl)o1 40866186 SSVVKGSCWXVCKT-UHFFFAOYSA-N 353.180 5.070 0 1 FKAF CC(C)CN(C)c1ncc(-c2nc3ccccc3s2)c(-c2ccccc2)n1 82162582 AUTKXLUXNBJWML-UHFFFAOYSA-N 374.513 5.513 0 1 FKAF c1ccc(CN2C[C@@H](NCC3CCCCC3)[C@H](C3CCCCC3)C2)cc1 96926830 UITWCSZLAZKVCO-BJKOFHAPSA-N 354.582 5.237 0 1 FKAF Fc1ccc(Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)cc1 103229208 ZZNKPLATXYGORX-UHFFFAOYSA-N 356.319 5.851 0 1 FKAF c1cc(CN2CCC[C@H](Nc3cccc4cnccc34)C2)cc(C2CC2)c1 114332581 CLCMIAAQLBZPHZ-QFIPXVFZSA-N 357.501 5.189 0 1 FKAF CC(/C=C\C=C(C)\C=C\[C@@H]1[C@H](C)CCCC1(C)C)=C/CN1CCOCC1 169300304 JGEUGBGGYLQOTH-QJZQGFGTSA-N 357.582 5.786 0 1 FKAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3ccc(F)cc23)c2ccccc2)c1 218316966 OPLOFBVAOKHSFC-JOCHJYFZSA-N 374.415 5.352 0 1 FKAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2c1cccnc1 253634362 MXMFCEUTOXUVHB-YIHQKJIGSA-N 351.534 5.489 0 1 FKAF c1ccc(-c2cnc(C3(NCc4c[nH]c5ccccc45)CCCC3)[nH]2)cc1 473086889 DCVMBWUHXHBEKW-UHFFFAOYSA-N 356.473 5.117 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(F)c(Br)ccc4[nH]3)cc2)o1 586903008 KLUDFGJADYLVOB-UHFFFAOYSA-N 371.209 5.700 0 1 FKAF Fc1cccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587001783 QKXDYYGZGBHMAZ-UHFFFAOYSA-N 371.209 5.197 0 1 FKAF Cc1cc(C)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 587081945 ZGXCMPSDHLNEJC-UHFFFAOYSA-N 373.847 5.210 0 1 FKAF CCc1c(-c2ccc(C)s2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587102333 NTZZLXNKROUHKI-UHFFFAOYSA-N 369.489 6.354 0 1 FKAF Nc1ccc(-c2ccc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3c2)cc1N 587111979 FYJBWWXUEOMHKM-UHFFFAOYSA-N 368.362 5.080 0 1 FKAF Fc1cc(Br)c(Cl)cc1-c1nc2ccc(Cl)cc2[nH]1 587137230 VIOLYQAFDRRJGO-UHFFFAOYSA-N 360.013 5.438 0 1 FKAF Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587161923 TUXUADKZKBGMQI-VQTJNVASSA-N 358.416 5.552 0 1 FKAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(C(C)(C)C)cc2[nH]1 587201062 FQDYBQHJXKFMOH-UHFFFAOYSA-N 373.541 5.441 0 1 FKAF COc1cccc(-c2cc(C=C3CCCCC3)nc3c2oc2ccccc23)c1 587364508 CCZYDNXQOBGQNQ-UHFFFAOYSA-N 369.464 7.004 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)[C@@H](C)C3)c1 587366973 PEEPOKPPPMOZHN-GJZGRUSLSA-N 357.453 6.027 0 1 FKAF Cc1ccc(OC(F)F)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587507257 PNJHBYQLVOHTQN-JOCHJYFZSA-N 372.411 5.356 0 1 FKAF C[C@]1(c2cc(Cl)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587507604 RKPZGCCMTOIKLS-HXUWFJFHSA-N 361.268 5.753 0 1 FKAF CCc1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511854 JUTIBMLLZJLPMN-DEOSSOPVSA-N 371.480 5.625 0 1 FKAF CCC[C@]1(c2cc(C)sc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587533964 ZXRZTMDNVFCTPU-JOCHJYFZSA-N 354.515 5.905 0 1 FKAF O=C(c1cccc(F)c1)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587628086 HKWVZHNRXXFXHI-UHFFFAOYSA-N 359.681 5.349 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1[C@@H]1CCCN1C(=O)OC(C)(C)C 587631403 BAZNWIHUCFGSAY-HNNXBMFYSA-N 352.837 5.341 0 1 FKAF CC(C)CC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809655 ASWBTEGOQVBKAL-ORAYPTAESA-N 370.350 5.800 0 1 FKAF Cc1ccc([C@H](C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587820731 QMDXKIHOMIKAIW-NQCMUKECSA-N 362.286 5.276 0 1 FKAF Fc1ccc(F)c(-c2csc(-c3cccc(Oc4ccccc4)c3)n2)c1 587922411 OWCWAMHDMDMCKB-UHFFFAOYSA-N 365.404 6.548 0 1 FKAF Cc1c(Cl)ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587950131 PQBODVJCWNMUMW-SDNWHVSQSA-N 360.844 6.487 0 1 FKAF CC(C)(C)c1cccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587951402 ZKXBBENIGHVZEM-WUKNDPDISA-N 368.480 6.823 0 1 FKAF Fc1ccc(Nc2cncc3nc(-c4ccccc4)cnc23)cc1Cl 653718800 IUZVIJYTCSDYGR-UHFFFAOYSA-N 350.784 5.228 0 1 FKAF CN(Cc1ccc([C@H]2CCCN(C)C2)cc1)Cc1ccc2ccccc2c1 653799291 ANABIVQFGRNDFM-VWLOTQADSA-N 358.529 5.281 0 1 FKAF CC(C)Oc1ccccc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772651496 UAOUDKXSYDSCTE-SFHVURJKSA-N 367.470 5.204 0 1 FKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)COc1ccc2c(c1)OCC=C2 2356531272 UXUTZFNIXIHZJK-NOKMZJFSSA-N 368.517 5.529 0 1 FKAF CCCCCC=CCC=CCCCCC[C@@H]1CC(=O)[C@H]2CCCC[C@@H]2N1C 2356848297 PDIJVDGSENRHCD-SGNDLWITSA-N 373.625 6.852 0 1 FKAF CCc1nc2ccc(C)cc2c(C(=O)Oc2cccc3cccnc23)c1C 920350 GRQCOISFNYNNPE-UHFFFAOYSA-N 356.425 5.181 0 3 FKAF COCc1ccc(CN2CCc3c([nH]c4ccccc34)[C@@H]2C(C)(C)C)o1 11818734 SGVCRRJGTCFHLJ-OAQYLSRUSA-N 352.478 5.053 0 3 FKAF O=C(Nc1cc(F)cc(F)c1)O[C@@H]1CCC12CCC(c1ccccc1)CC2 205706995 NOMKFHRDWZJBAX-PWOUQQLPSA-N 371.427 6.020 0 3 FKAF O=C1c2ccccc2CCC12CCN(Cc1ccc3ccccc3c1)CC2 13734365 ZYQPFSVYWPFCAH-UHFFFAOYSA-N 355.481 5.251 0 1 FKAF CC(=O)NC[C@@H]1C[C@H]1c1cccc2oc(CCCCc3ccccc3)cc12 28391053 VECIKHNMWFUKTJ-SIKLNZKXSA-N 361.485 5.238 0 1 FKAF Cc1cc(-c2cccc(O)c2)cn2c(CSCCc3ccccc3)cnc12 28877377 KVVJTUOANAOWPE-UHFFFAOYSA-N 374.509 5.491 0 1 FKAF C[C@H](CNCc1coc(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 72184538 FKBXNOWATBCZPX-CYBMUJFWSA-N 361.272 5.542 0 1 FKAF Cc1ccccc1-c1nnc2ccc(-c3cccc(C(F)(F)F)c3)cn12 74387376 IIVLBNRTKUQMEP-UHFFFAOYSA-N 353.347 5.391 0 1 FKAF CC[C@@H](C)Cn1c(C2CC2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82221891 JRFCGZKQENGONV-CYBMUJFWSA-N 369.900 5.015 0 1 FKAF CCCN1[C@H]2CC[C@H]1CC(OC1c3ccccc3C=Cc3ccccc31)C2 101948626 HIJJSFHNNDTSNI-SFTDATJTSA-N 359.513 5.682 0 1 FKAF O=C(O)/C=C/c1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccccc1 141867428 RSIQENTVKXZIBD-DTQAZKPQSA-N 367.448 5.514 0 1 FKAF CCCCCC[C@@H]1/C=C/C=C(\CO)C2=C3[C@H]1CCCC[C@@]31OC(C)(C)O[C@@H]21 169296453 FMIQTBFLGZMDLX-DKEPFHKCSA-N 372.549 5.452 0 1 FKAF CCCC(C)(C)C[C@H](O)C=C=C1CCC(=O)[C@@H]1CCCCCCC(=O)O 169316733 RYKRRSCKDGEDCL-CDDDFZJFSA-N 364.526 5.050 0 1 FKAF CSc1ccc(-c2cc(CNCC34CC5CC(CC(C5)C3)C4)no2)cc1 225025891 CSNLHUQSFKZHFQ-UHFFFAOYSA-N 368.546 5.370 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(F)c(F)c3)nc3ccc(O)c1c23 586986361 LLAVGBXBNDVRBN-UHFFFAOYSA-N 359.331 5.097 0 1 FKAF Oc1ccc2scc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2c1 587033512 WJSBKFXMFWBVLL-UHFFFAOYSA-N 372.449 5.729 0 1 FKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cccc(F)c4[nH]3)c2)cc1 587067506 DLXSVDHZYBZLIU-UHFFFAOYSA-N 352.796 5.182 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C(=O)C(C)C)CCC4)-c1ccccc1C2=O 587100044 DXLQVZBXHPBIBF-IBGZPJMESA-N 369.464 5.400 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@H](CC(C)C)CC4)-c1ccccc1C2=O 587100290 FMSCBDFFUOIIBM-INIZCTEOSA-N 355.481 5.906 0 1 FKAF Fc1cc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2cc1Br 587149740 ANFMJHFSFIHBEJ-DTWKUNHWSA-N 367.168 5.014 0 1 FKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(Cl)ccc3[nH]2)cc1 587158947 UAQXFZQCIUHECK-UHFFFAOYSA-N 350.780 5.502 0 1 FKAF COc1cccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587164783 XEXKHJBRDCECBS-QINSGFPZSA-N 350.418 5.361 0 1 FKAF CCc1c(-c2ccc(Cl)c(Br)c2)nc2cccc3c2c1CC3 587207234 DRYKQUXWVSQCFS-UHFFFAOYSA-N 372.693 5.979 0 1 FKAF CCCCC1(CCCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350792 FIKNLCOAJQOHCW-NRFANRHFSA-N 370.464 6.009 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]3C2CC2)c1 587366824 NCWWSJXXOMOQPR-QGZVFWFLSA-N 355.437 6.096 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(Oc3ccccc3)c1)O2 587403670 PMQQOYDOCIXZPP-HSZRJFAPSA-N 359.425 5.250 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(CC/C=C(\C)CCC=C(C)C)[C@@H](C2)C3=O 587446518 YFGXKSZBDIBYDH-LHXSENJTSA-N 354.490 5.674 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccc(C)cc3)c1)CC2=O 587480384 JUNVSVVJCIKXDA-DEOSSOPVSA-N 372.464 6.027 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(CCSc1ccccc1)CC2=O 587492204 NQJFZCIHPMTTHH-NRFANRHFSA-N 356.487 5.251 0 1 FKAF CCCc1c(-c2ccc(Cl)cc2Cl)[nH]c2ccc([C@@H](C)CC)cc12 587639802 CVSJXRQSHSHIRE-ZDUSSCGKSA-N 360.328 7.608 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cccc(C(=O)OC)c3)c2c1 587643299 SWOPERMIBNDEHA-CYBMUJFWSA-N 364.445 5.029 0 1 FKAF CCCCCC[C@@]1(CCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812821 KWQGOGWDTGSGGM-IFXJQAMLSA-N 370.350 6.088 0 1 FKAF Cc1ccc([C@H](C)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587820730 QMDXKIHOMIKAIW-JMERFSKESA-N 362.286 5.276 0 1 FKAF CC[C@H](C)c1ccc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862424 AEAXPNFMOVBRDZ-AWEZNQCLSA-N 374.406 6.080 0 1 FKAF CC(C)(C)Sc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cn1 587920835 OQABLTIMKBWYFK-UHFFFAOYSA-N 360.935 6.416 0 1 FKAF CC/C(=C\c1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(C)cc1 587966538 IXLNFGZMAPSZED-OBGWFSINSA-N 370.521 6.973 0 1 FKAF Cc1ccc(CCC[C@H]2NCCc3cccc(-c4ccccc4)c32)cc1C 962659037 AFONPPIYSVRTPR-RUZDIDTESA-N 355.525 6.180 0 1 FKAF CCC(C)(C)[C@]1(c2cccc(C)c2)NCCc2cc3cccc(OC)c3nc21 963049273 BOWRJHKYELBQME-RUZDIDTESA-N 374.528 5.377 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccc1)[C@@H]1C[C@@H]2C=C[C@H]1C2 963230431 PKWIVAZHLOJUCT-CWMGJVTCSA-N 357.541 5.799 0 1 FKAF CCCCCC[C@]1(c2ccco2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963606440 HQPAPZRTXZMFFT-OPAMFIHVSA-N 357.494 5.045 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(Cl)c3)cc(-c3ccccc3O)n2)cc1 1772587728 SCJZLFZXWYBTGG-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF Clc1cc2[nH]c(=NCc3ccco3)n(Cc3ccccc3)c2cc1Cl 1857541131 BAOJZXRQMPETSK-UHFFFAOYSA-N 372.255 5.018 0 1 FKAF CCN(CC)C(=O)Oc1ccc2ccccc2c1-c1cccc2cccnc12 1857545022 QUFFACTUBLTCPA-UHFFFAOYSA-N 370.452 5.896 0 1 FKAF Cc1c(-c2ccc(-c3cccnc3Cl)cc2)nc2ccccc2c1C(=O)O 1857641541 SWCMMMTVBADKHD-UHFFFAOYSA-N 374.827 5.624 0 1 FKAF C[C@H]1[C@@H]2CC[C@H]3[C@]4(C)CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356702900 AYYIATOVDZJSNR-JXMKWOBBSA-N 370.625 5.200 0 1 FKAF CC(C)=CCC[C@]1(C)CC[C@@H]2C(C)=CCC[C@]2(C)[C@H]1CCC(C)=CC(=O)O 2356797948 OQQNJVBLPBUXTO-OUMDNPPYSA-N 372.593 7.323 0 1 FKAF COc1ccc([C@@](C)(O)c2nc(-c3csc4ccccc34)cs2)cc1 61926313 WRVKRHPUJCMGEV-HXUWFJFHSA-N 367.495 5.289 0 3 FKAF CC1=CC[C@@H]([C@]2(C)Cc3c(Oc4ccccc4)cc(C(=O)O)cc3O2)CC1 26488212 ASQKJDMDXLJBKK-HXOBKFHXSA-N 364.441 5.617 0 1 FKAF O=C1c2c(O)cccc2C(CCCCc2ccccc2)c2cccc(O)c21 26958411 JXRSXJQHEVUXLS-UHFFFAOYSA-N 358.437 5.187 0 1 FKAF COc1cc2ccnc(C(=O)c3ccccc3)c2cc1OCc1ccccc1 27558409 FXZAGLXVSOWGIR-UHFFFAOYSA-N 369.420 5.053 0 1 FKAF O=C1NC(=O)/C(=C\c2cccc(Oc3ccc(Cl)c(Cl)c3)c2)S1 28703304 JXHJMADCEAOPJG-VGOFMYFVSA-N 366.225 5.110 0 1 FKAF CCC(=O)Nc1cc2c(cc1C(C)C)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 40975960 MUYKEJMEIIKNHZ-UEVCKROQSA-N 371.521 5.253 0 1 FKAF O=c1c2ccccc2nc(/C=C/c2cccc(Cl)c2)n1Cc1ccccc1 72136183 ZFCKOBZVKGDSGM-BUHFOSPRSA-N 372.855 5.269 0 1 FKAF CC(C)c1ccc(NC(=O)O[C@@H](Cn2ccnc2)c2ccc(F)cc2)cc1 73387302 OMXCIRVMHPGVCD-FQEVSTJZSA-N 367.424 5.136 0 1 FKAF CSc1ccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2)s1 95582443 XKZZWDPWBWDSNU-IBGZPJMESA-N 366.511 5.265 0 1 FKAF COc1cccc([C@H]2CC3=Nc4ccc(Cl)cc4SC3=C(O)C2)c1 100796279 ZHMKBYAPEBVHNQ-LBPRGKRZSA-N 357.862 5.874 0 1 FKAF COc1cccc([C@H]2CC3=Nc4ccc(F)cc4SC3=C(O)C2)c1OC 100796328 AFXLXGZTGSVEEW-NSHDSACASA-N 371.433 5.368 0 1 FKAF ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@@H]4C=C[C@H]3C4)[C@@]1(Cl)C2(Cl)Cl 113161852 QBYJBZPUGVGKQQ-MYZVMFAGSA-N 364.914 5.270 0 1 FKAF CCCCc1cccc(C2(C(=O)Nc3cc(Cl)c(O)cc3O)CCC2)c1 205957300 QYDHJCCHMQORBY-UHFFFAOYSA-N 373.880 5.154 0 1 FKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 586885685 DBESZCYTXZHVHU-BDJLRTHQSA-N 366.408 5.320 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(F)cc(F)c4)nc13)-c1ccccc1C2=O 586994669 BGYCQFMWVFTUBB-UHFFFAOYSA-N 357.359 5.700 0 1 FKAF Clc1ccc(CC2(c3nc4cc(Cl)nc(Cl)c4[nH]3)CC2)cc1 587073987 RKRLJRKZJYJOBB-UHFFFAOYSA-N 352.652 5.192 0 1 FKAF Cc1ccc2c3c(cc(-c4ncc(Cl)s4)nc13)-c1ccccc1C2=O 587101726 LVHKNYZBPGEDBT-UHFFFAOYSA-N 362.841 5.532 0 1 FKAF Cn1c(C(F)(F)F)cc(C(F)(F)F)c1-c1cc2c3c(cccc3n1)CC2 587210939 ZXWBGWWAUDMUPG-UHFFFAOYSA-N 370.296 5.377 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3ccccc3C)c1)O2 587401705 WSAXJBXHYKZFFR-HSZRJFAPSA-N 373.452 5.171 0 1 FKAF CCC[C@@]1([C@H](CC)Sc2ccoc2C)CC(=O)c2cc(C)cc(N)c2O1 587407821 CJNXMXCGHYYXIQ-FPOVZHCZSA-N 373.518 5.554 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)ccc1F)CC2=O 587464438 QIYPHRVMCNVCNC-QGZVFWFLSA-N 368.326 5.209 0 1 FKAF Cn1c2c(c3ccccc31)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587514531 GVIBPUGDSLHTJD-RUZDIDTESA-N 371.480 5.254 0 1 FKAF Cc1cccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)c1 587628032 GNCFFWUYHGLOHF-UHFFFAOYSA-N 355.718 5.519 0 1 FKAF FC(F)(F)c1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cn1 587958716 HWLBXUKSXWURLG-UHFFFAOYSA-N 353.347 5.235 0 1 FKAF Clc1ccccc1-c1cc(-c2cccs2)c2oc3ccccc3c2n1 1772634578 JWACTUKQABFMJY-UHFFFAOYSA-N 361.853 7.030 0 1 FKAF Cc1ccc(-c2csc(N3COc4ccc5ccccc5c4C3)n2)cc1 1857648658 GKRUBDDSJXZPSC-UHFFFAOYSA-N 358.466 5.628 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(O)c(C(=O)O)c1C 1911584419 QFECAQUBBWIOFN-JTCWOHKRSA-N 372.505 6.066 0 1 FKAF Fc1ccc(/C=C/c2cc(N3CCCC3)c3cc(Cl)ccc3n2)cc1 2382237873 SCXXWJNSWJIRDI-WEVVVXLNSA-N 352.840 5.798 0 1 FKAF Cc1cccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)c1 15936231 LMEIQRRJGXZOHT-UHFFFAOYSA-N 362.453 5.278 0 3 FKAF O=C(C[C@H](C(=O)c1cccs1)c1ccsc1)c1ccc(Cl)s1 1636188 ZGXNMTVHFWADMX-NSHDSACASA-N 366.916 5.764 0 1 FKAF CC1=C[C@H](c2ccc3[nH]ccc3c2)[C@@](C)(/C=C/c2ccc3[nH]ccc3c2)CC1 13384233 AGXPNMMYDKKSMT-KVNLMVIASA-N 366.508 7.193 0 1 FKAF O=C(O)CCCCCCCOc1cc(-c2ccccc2)c2ccccc2n1 13729628 ZZEXIUMYLAMATE-UHFFFAOYSA-N 363.457 5.706 0 1 FKAF C[C@H](c1ccncc1)c1nnc(Nc2ccc(Cl)cc2)c2ccccc12 13808843 AFECIUCRUIZUKP-CQSZACIVSA-N 360.848 5.574 0 1 FKAF CCc1noc(CC)c1CCCCCCOc1ccc(F)cc1Cl 27863416 IHNLEOQDWIJFLG-UHFFFAOYSA-N 353.865 5.774 0 1 FKAF Cc1ncc2c(n1)-c1ccc(Cl)cc1[C@@H](c1ccccc1Cl)N(C)C2 29330282 XKFMYQMPVIXHLN-HXUWFJFHSA-N 370.283 5.294 0 1 FKAF c1ccc(-c2cc(N3CCCCC3)nc3nc(N4CCCCC4)ccc23)cc1 32063599 HVQMRXYZQLZLRB-UHFFFAOYSA-N 372.516 5.277 0 1 FKAF CC[C@@]1(c2ccccc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 35814554 MVPWGNHSAOBKOI-QGZVFWFLSA-N 368.786 5.403 0 1 FKAF C[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@]1(C)CCN2Cc1ccccc1 36126837 RFIKUGPYXNCFAU-IPHXSNPTSA-N 370.334 5.174 0 1 FKAF O=C(O)c1ccccc1Nc1ccc(CCCc2ccc(Cl)cc2)cc1 40380005 XMEWSOVJLWEBGV-UHFFFAOYSA-N 365.860 5.957 0 1 FKAF OC1(C[C@@H]2CCCN3CCCC[C@H]23)c2ccccc2Sc2ccccc21 71294371 UQQDCAMIUCXPRV-FXAWDEMLSA-N 365.542 5.042 0 1 FKAF 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 118930228 AZFLHSKQKSZOET-PMUPNNHLSA-N 374.565 5.283 0 1 FKAF Cc1ccc(CCc2cc(Br)c(O)c(Br)c2)cc1 139462889 LGSIHTNMDCSGED-UHFFFAOYSA-N 370.084 5.011 0 1 FKAF Fc1ccc(CNc2nc(N3CCCCC3)nc3cccc(Cl)c23)cc1 141960470 NRIBRQVXIVZWBS-UHFFFAOYSA-N 370.859 5.025 0 1 FKAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3cc(F)ccc23)c2ccccc2)c1 218317534 WXVXRQZELRUNRL-JOCHJYFZSA-N 374.415 5.352 0 1 FKAF COc1cc(-c2cccc(C)c2)sc1C(=O)N(C)c1cccc(C)c1 299837532 RDCHYEGKDNVHQH-UHFFFAOYSA-N 351.471 5.317 0 1 FKAF C=Cc1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 586881029 JWLUBHWLMVHJAW-UHFFFAOYSA-N 356.269 5.911 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586884681 XBZHTHYMNGPRKG-UHFFFAOYSA-N 362.742 5.105 0 1 FKAF Fc1cc(F)c(-c2nc3ccc4c(c3[nH]2)CCCC4)cc1Br 587136885 YBHFNGYLQVTCMY-UHFFFAOYSA-N 363.205 5.149 0 1 FKAF Cc1cc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2cc1F 587162081 CHEVMAWLMMMMRF-UHFFFAOYSA-N 363.367 5.069 0 1 FKAF Cc1cc(Cl)cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c12 587201460 NATFREXMRNHNGB-UHFFFAOYSA-N 365.905 5.106 0 1 FKAF COC(=O)Nc1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1 587243227 GQAMMNKAEHFMDA-UHFFFAOYSA-N 369.730 5.080 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Cc3ccccc3)s1)O2 587409656 IXJGLXZQJCYSAC-QFIPXVFZSA-N 363.482 5.110 0 1 FKAF CCCc1c(O)ccc2c1O[C@H]([C@H](C)Cc1ccc(C(C)C)cc1)CC2=O 587488707 KXABSGWEOCHLFH-MWTRTKDXSA-N 366.501 5.681 0 1 FKAF O=C1C[C@H](c2ccc(F)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587504029 DTBVDHLNIYQXOM-GOSISDBHSA-N 364.338 5.430 0 1 FKAF Cc1nc(-c2ccccc2)[nH]c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526341 PJDCYFSVFPBNRV-XMMPIXPASA-N 372.468 5.145 0 1 FKAF Cc1c(-c2cccc(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587621382 CSRFWKVNEPKYFB-UHFFFAOYSA-N 360.642 5.436 0 1 FKAF Cc1cc(Cl)cc2c(CC(=O)O)c(-c3ccc(Cl)c(Cl)c3)[nH]c12 587624077 XSDSWCUMVQNOTC-UHFFFAOYSA-N 368.647 5.731 0 1 FKAF CCN(CC)Cc1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625771 NBVCYOHEDZMYFA-UHFFFAOYSA-N 352.322 5.356 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(F)cc2)N1 587728271 AHLADZLPFVEPEV-SVYRJTOJSA-N 364.233 5.016 0 1 FKAF CCOc1cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)ccc1C 587778805 UHFTWCGEAKDPFV-UHFFFAOYSA-N 356.425 5.168 0 1 FKAF Clc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c(Cl)n1 587962730 WSHXSCFJGFXGPR-UHFFFAOYSA-N 354.240 5.523 0 1 FKAF CN(C/C=C/c1ccc(Br)cc1)Cc1cccc2ccoc12 653887630 YYHFHZUTYQPTII-ONEGZZNKSA-N 356.263 5.341 0 1 FKAF Cc1ccnc2c1CCN[C@@H]2c1ccsc1Sc1ccc(Cl)cc1 963078853 ZPOOREKTPLLFKP-GOSISDBHSA-N 372.946 5.491 0 1 FKAF C[C@@]1(c2cc(Cl)sc2Cl)c2c(F)cccc2C[C@@H]2CCCN21 963096746 GKGSAHXZBWKUHM-APPDUMDISA-N 356.293 5.478 0 1 FKAF C[C@]1(CSc2ccc(Cl)cc2)c2c(F)cccc2C[C@H]2CCCN21 963103964 GNMXUZICCYHVBX-UZLBHIALSA-N 361.913 5.507 0 1 FKAF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C 2356593632 RLHIRZFWJBOHHD-FDEHDPPTSA-N 368.649 8.194 0 1 FKAF O=C(O)c1ccc2oc(SCc3ccc(Cl)cc3Cl)nc2c1 2382252921 XJWRLMFEUPVROI-UHFFFAOYSA-N 354.214 5.125 0 1 FKAF Cc1cccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)c1 13672194 IQHJLENLTHRSPD-UHFFFAOYSA-N 356.473 5.627 0 1 FKAF Cc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4C)cc3)nc2c1 29049627 CQFNAXQXHFFSFB-UHFFFAOYSA-N 372.424 5.129 0 1 FKAF CN(Cc1ccccc1)C(=O)c1cccc(-c2cnc3ccccc3c2)c1 33140167 IPGCDCJYRAJYEX-UHFFFAOYSA-N 352.437 5.174 0 1 FKAF Oc1cccc(C2=Nc3ccccc3S[C@@H](c3cccc(Cl)c3)C2)c1 40425339 MBNHLRSXXLXAGA-OAQYLSRUSA-N 365.885 6.404 0 1 FKAF Cc1cc(C(F)(F)F)ccc1Nc1ncnc2c1Cc1ccccc1O2 49807576 CVMMKLWFOQPJEB-UHFFFAOYSA-N 357.335 5.244 0 1 FKAF Clc1cccc(CN2CC[C@H]3C[C@@H]2c2cc(N4CCCCC4)ccc23)c1 61942430 KZJJRDZSSLUTQV-FDDCHVKYSA-N 366.936 5.765 0 1 FKAF Cc1cccc2c(Sc3ccc(Cl)c(Cl)c3)c(C(=O)O)[nH]c12 95583197 BPJQHTLIFTTXAO-UHFFFAOYSA-N 352.242 5.633 0 1 FKAF CCC[C@@]1(c2ccccc2)CC(O)=C(SCCc2ccccc2)C(=O)O1 100363884 OZZRXOYPHSBIEH-QFIPXVFZSA-N 368.498 5.374 0 1 FKAF Cc1ccc(-c2cc([C@H](O)C[C@H]3CCCCN3)c3cc(C)cc(C)c3n2)cc1 169334608 HQCJBJGJAWODSX-HYBUGGRVSA-N 374.528 5.393 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@]45C[C@H]4[C@H](O)CC[C@]35C)[C@@H]1CC=C2c1cccnc1 203685737 GKUYVJJRTHIXJZ-PLAFGYIZSA-N 363.545 5.479 0 1 FKAF Cc1cc(Cl)cc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587013245 PZADMYRQQIINIH-UHFFFAOYSA-N 368.687 5.288 0 1 FKAF CCC(C)(C)[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587100683 OGXQWXSWRVBXSN-MRXNPFEDSA-N 369.508 6.296 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587153644 WZAZDPCLCHUQHK-UHFFFAOYSA-N 374.312 6.194 0 1 FKAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587162903 GNYABJMSQNXFGA-HNNXBMFYSA-N 371.765 5.025 0 1 FKAF Fc1ccc2[nH]c(-c3nc4ccc(Br)cc4[nH]3)c(Cl)c2c1 587173695 GSKJIPRGUPLSBO-UHFFFAOYSA-N 364.605 5.266 0 1 FKAF CC(C)[C@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197582 IUUISZHTXQUDPH-QGZVFWFLSA-N 359.514 5.424 0 1 FKAF CSc1ccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2c1 587241621 ZLADHOWXEUHHRK-UHFFFAOYSA-N 374.513 5.894 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 587249712 DYMYIVDHZWQKLZ-UHFFFAOYSA-N 357.310 5.036 0 1 FKAF CC1(C)[C@@H]2C[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352184 LZJFIFNPGCMBNG-XNLFJMEGSA-N 366.432 5.085 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1cccc(Cl)c1F)(C1CC1)CC2=O 587465177 BRPDGZUWPQVVAC-OAQYLSRUSA-N 374.839 5.408 0 1 FKAF Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2cc(Cl)ccc21 587501610 PKXFAEUJXCDHQZ-OAQYLSRUSA-N 365.860 5.417 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccccc3)cc2F)Oc2c1ccc1c2CCCC1 587508667 WSRXSJKCOXFMDC-XMMPIXPASA-N 372.439 6.078 0 1 FKAF CC(C)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525876 VUYLNSYVNPXNDZ-JOCHJYFZSA-N 350.458 5.307 0 1 FKAF O=C1C[C@@H](c2ccccc2-c2ccsc2)Oc2c1ccc1c2CCCC1 587535234 JLFLESKICAMHLF-QFIPXVFZSA-N 360.478 6.000 0 1 FKAF CCC[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604446 TXUXDKALUKTSPR-YIFZBPKDSA-N 352.430 5.083 0 1 FKAF COc1ccc(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)cc1 587628989 CJQMGVDWCQSVGY-UHFFFAOYSA-N 353.727 5.138 0 1 FKAF Cc1[nH]c2cccc(F)c2c1C[C@](F)(Cl)C(F)(F)Br 587633792 LZTHYYLPKSWVRO-LLVKDONJSA-N 358.560 5.050 0 1 FKAF C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(F)ccc2c1-c1ccccc1 587635154 HROSEBRTXPHTAU-ZDUSSCGKSA-N 354.425 5.560 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccs3)c(C(=O)C(F)(F)F)c2c1 587639832 DORHPECVFPQTIK-SNVBAGLBSA-N 351.393 6.155 0 1 FKAF CCc1ccc(-c2[nH]c3ccc([C@H](C)CC)cc3c2C(=O)C(F)F)cc1 587640962 HOCUOSPAGHDBRF-CYBMUJFWSA-N 355.428 6.359 0 1 FKAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl 587692045 JITBPPCTWWNRAO-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cc(F)cc(F)c3[nH]2)c1 587779874 HWUKFSXBBJZPQG-UHFFFAOYSA-N 350.368 5.574 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C)Cc2ccccc2)N1 587820356 OXCPFAUDOANUCU-VLXJIEOASA-N 362.286 5.042 0 1 FKAF O=C(CSc1ccc(Br)cc1)c1c[nH]c2c(F)cccc12 653723506 CINNMRRMYNKCCG-UHFFFAOYSA-N 364.239 5.045 0 1 FKAF CC(C)(CCCOc1ccc(/C=C/c2ccc(Cl)cc2)cc1)C(=O)O 653755992 SIIDEPDOWNLPBN-SNAWJCMRSA-N 358.865 5.780 0 1 FKAF C[C@@]1(C2CCC(C(F)(F)F)CC2)c2ccc(F)cc2C[C@@H]2CCCN21 963102365 JZCZIYAMRBYOJA-YXGQEBDGSA-N 355.419 5.430 0 1 FKAF Fc1cc(-n2cnc(Cl)c2-c2c(F)ccc(F)c2F)ccc1Cl 1772601793 YPRQXMDCMYJQOK-UHFFFAOYSA-N 361.125 5.403 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)nc3c2Cc2cc(O)ccc2-3)c1 1857593294 WAHANGYWRGXLKG-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF COc1ccc(-c2cc3cc(C)ccc3c(-c3cccc(N)c3)n2)c(C)c1 1857768538 JICJLGFRRNSIIF-UHFFFAOYSA-N 354.453 5.776 0 1 FKAF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356610785 YHTRVWPOAJKWBV-BTMQSKKTSA-N 374.609 6.625 0 1 FKAF C1=C2CCC3=Cc4c(ccc5ccccc45)OC23Oc2ccc3ccccc3c21 2382259908 LQSZPVPKWPYJPJ-UHFFFAOYSA-N 374.439 6.735 0 1 FKAF CCCN(CCC)C(=O)Cc1c2n(c3ccccc13)CCCc1ccccc1-2 1633016 HXVSILAMVOCHRQ-UHFFFAOYSA-N 374.528 5.446 0 1 FKAF O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc(C(F)(F)F)cc1 5617169 NUJLLUVKWHGLHE-UHFFFAOYSA-N 364.150 5.030 0 1 FKAF CC/C(=C(\c1ccccc1)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 13585492 PFWWRKICQHMOAR-FCQUAONHSA-N 362.494 5.459 0 1 FKAF CC/C(Cc1ccccc1)=C(\c1ccccc1)c1ccc(OCN(C)C)cc1 26017551 FMHQDBFMJHNCPF-ROMGYVFFSA-N 371.524 6.039 0 1 FKAF Clc1ccc2[nH]cc(SC3CCN(CCc4ccccc4)CC3)c2c1 27886646 UWOYVLCVIYFKSO-UHFFFAOYSA-N 370.949 5.621 0 1 FKAF CC(C)(C)c1ccc([C@H]2NCc3c(Cl)cccc3-n3cccc32)cc1 28467690 SCANTWNKVLLUST-OAQYLSRUSA-N 350.893 5.621 0 1 FKAF Cc1c(Cc2ccc(Cl)cc2Cl)c(=O)ccn1Cc1ccccc1 28641203 LUUZTZYIEKEJRV-UHFFFAOYSA-N 358.268 5.103 0 1 FKAF Cc1ccc(OCCCCOc2c3ccoc3cc3oc(=O)ccc23)cc1 35966659 GQFHTXXEYJJIFQ-UHFFFAOYSA-N 364.397 5.086 0 1 FKAF CCCCOc1ccc([C@H](CC)NC(=O)Oc2cccc(N(C)C)c2)cc1 45357127 DHSNZVVWPBPPJP-NRFANRHFSA-N 370.493 5.171 0 1 FKAF CC(C)c1ccccc1NC(=O)c1nc(-c2ccccc2)oc1C(F)(F)F 73165474 LTFUQZLXOVSXLX-UHFFFAOYSA-N 374.362 5.736 0 1 FKAF CC[C@@H](C)Cn1c(C(C)C)nc2c(NCCCc3ccccc3)ncnc21 82180037 VPPXLNOJSSVQKD-QGZVFWFLSA-N 365.525 5.041 0 1 FKAF Cc1nc(-c2cnc(NC3CCCC3)nc2-c2ccccc2)sc1C 82219602 DQLOAEZMYVBVFI-UHFFFAOYSA-N 350.491 5.238 0 1 FKAF Clc1ccc(Nc2nc(-c3c(Cl)cccc3Cl)cs2)cc1 103277684 ZXBGBCVXFDJDNA-UHFFFAOYSA-N 355.677 6.514 0 1 FKAF COc1cc(C(=O)O[C@H]2C=C(C)CCC=C(C)CC[C@H]2C(C)C)ccc1O 253780923 PQAYAZRCPJMQRB-FPOVZHCZSA-N 372.505 5.665 0 1 FKAF CCCN(C)c1cc(NC(=O)c2c(F)cccc2F)cc(C(F)(F)F)c1 299837443 KDKWYYITVHNVKM-UHFFFAOYSA-N 372.337 5.082 0 1 FKAF CCc1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1CC 586881166 UJTZCPOIHMCCBU-UHFFFAOYSA-N 364.674 5.166 0 1 FKAF CC[C@]1(C)C[C@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 586892120 UFIGJELIMSKTJQ-HRAATJIYSA-N 350.418 5.045 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C=CC1(CCCCC1)C3 586991001 PWHKJIKEZVAALM-UHFFFAOYSA-N 367.448 5.672 0 1 FKAF COc1cccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c12 587003284 IDXGSCFLWJDJLP-UHFFFAOYSA-N 357.207 5.056 0 1 FKAF Cc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1F 587040310 GZEINGAGBWZEKW-UHFFFAOYSA-N 360.479 5.068 0 1 FKAF CCc1c(Cc2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099424 IABJYLZLRJRSTD-UHFFFAOYSA-N 363.460 5.908 0 1 FKAF Cc1cnc2[nH]cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2c1 587105901 GUONBSBHHDWPRZ-UHFFFAOYSA-N 361.404 5.298 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(F)cc2[nH]1 587114690 XIEYMXVGVZFKLL-VIFPVBQESA-N 356.750 5.720 0 1 FKAF FC1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCCCC1 587132702 SVYNUSFSMHLSGJ-UHFFFAOYSA-N 351.450 5.969 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cccc(OC(F)(F)F)c3[nH]2)c1F 587149750 ARBJFCBPXMDFSX-ZJUUUORDSA-N 354.278 5.011 0 1 FKAF C[C@H]1CCc2ccc(Br)cc2-c2nc3cccc4c3c(c21)CC4 587208329 QBAXSTOWURLYRE-LBPRGKRZSA-N 364.286 5.813 0 1 FKAF Cc1ccc(SCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587209110 JTLVCJSFQUJKPO-UHFFFAOYSA-N 367.473 6.047 0 1 FKAF COc1cccc(-c2cc(-c3cccnc3F)nc3c2oc2ccccc23)c1 587360250 MYQNTJOPUIKGQS-UHFFFAOYSA-N 370.383 5.858 0 1 FKAF Cc1cc(C)c([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 587405399 LAYZOMUQEMMOET-RUZDIDTESA-N 371.480 5.411 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c([C@@H](C)CC)c1)CC2=O 587478992 LPLJSESWKFXBLH-FPTDNZKUSA-N 368.473 5.573 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C1CCCCC1)CC2=O 587491317 WIMGFMFIWBCDOR-XMMPIXPASA-N 364.485 5.786 0 1 FKAF C[C@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587508594 PMIKAESNMHRDBI-HXUWFJFHSA-N 360.375 5.465 0 1 FKAF O=C1C[C@H]([C@@H]2CCC[C@H](C(F)(F)F)C2)Oc2c1ccc1c2CCCC1 587510683 XIMNZSMVFWPNFG-QWQRMKEZSA-N 352.396 5.268 0 1 FKAF CC1=C([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CCC1 587819192 HKMTXCWHYZUVQJ-SGTLLEGYSA-N 366.318 5.690 0 1 FKAF Cc1ccc(-c2csc(-c3ccc(Br)cc3C)n2)cc1C 587920227 FUACUVXPFWWOHN-UHFFFAOYSA-N 358.304 6.165 0 1 FKAF Fc1ccc(-c2csc(-c3cccc(Oc4ccccc4)c3)n2)cc1F 587922759 ZUMRGHGQWBPPMS-UHFFFAOYSA-N 365.404 6.548 0 1 FKAF COc1cccc([C@@H](C)Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587930555 JSZTYGKXEWUASH-JTQLQIEISA-N 368.786 5.590 0 1 FKAF COc1ccc2c(c1)[C@@H](c1cccn1-c1cccc(C)c1C)N(C(C)C)CC2 962095193 YDSSSLJMFNYAFF-VWLOTQADSA-N 374.528 5.459 0 1 FKAF CCOc1cccc2ccc([C@H]3N[C@@H](CC)Cc4c3[nH]c3ccccc43)nc12 962953241 QMNFTYCOVAIRLQ-UPCLLVRISA-N 371.484 5.129 0 1 FKAF Fc1ccc2nc(-c3cc(-c4ccccc4)n(-c4ccccc4)n3)ccc2c1 1857630536 XEHISFCWXDOREC-UHFFFAOYSA-N 365.411 5.894 0 1 FKAF CC(=O)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2nc1Cl 1367718 ILNFFENMBIRWFR-UHFFFAOYSA-N 358.894 5.115 0 3 FKAF Cc1ccccc1CN(Cc1ccc(-c2ccccc2)cc1)n1ccnc1 3639503 DMZXELTUPUGCBU-UHFFFAOYSA-N 353.469 5.197 0 1 FKAF CCCC/C=C/CCCCCCCCCCCCCc1cc(O)cc(O)c1 14614308 KEAYVGHLOUCYNN-AATRIKPKSA-N 374.609 8.068 0 1 FKAF endogenous,in-man CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3ccc(N)cc3)cc12 14945743 APRUEGRLMSXVDJ-UHFFFAOYSA-N 360.383 5.108 0 1 FKAF C[C@H](CCc1ccccc1)NCCC(C1CCCCC1)C1CCCCC1 27749388 UYQOWWSEQDILSF-OAQYLSRUSA-N 355.610 6.764 0 1 FKAF Cc1ccccc1NC(=O)Nc1ccc(-c2csc3ccnc(N)c23)cc1 28703834 JYMFGIUOAGXDFP-UHFFFAOYSA-N 374.469 5.498 0 1 FKAF COc1cccc(Nc2c3cc(F)ccc3nc3sc(SC)nc23)c1 40881336 QJCJCEWUXOLFIV-UHFFFAOYSA-N 371.462 5.458 0 1 FKAF CC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)N[C@H](C)CO 66080016 MNEVPRCUHDRUJY-YTFNXNGVSA-N 371.565 5.571 0 1 FKAF C[C@@H]1C[C@@H]1/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C 66112349 ZZBNLFUDCSYRKU-SRGQRNODSA-N 364.573 6.713 0 1 FKAF in-vitro CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1CCc1ccccc1 72141204 GUCMRSUQSKLWCK-QHCPKHFHSA-N 360.888 6.038 0 1 FKAF COc1cccc(-c2nc(CNc3ccc(Oc4ccccc4)cc3)co2)c1 72181987 CPJGLXGEZDNTEC-UHFFFAOYSA-N 372.424 5.755 0 1 FKAF Fc1ccc(-c2nc3ccccn3c2-c2ccc(-c3ccccc3)cc2)cc1 96927433 NTOBQDYQUWFJIS-UHFFFAOYSA-N 364.423 6.474 0 1 FKAF Cc1cc([C@H](O)CN2CCCCCC2)cc2ccc(-c3ccccc3)nc12 169338310 HJNWYQGJRFIKDD-HSZRJFAPSA-N 360.501 5.120 0 1 FKAF CC1=C[C@H](c2c(O)cc(/C=C/c3ccccc3)oc2=O)[C@@H](C(C)C)CC1 199469409 QNJUNTVTYKUFSX-WNGAPAKLSA-N 350.458 5.612 0 1 FKAF C/C=C(\C)C(=O)Oc1c(CC=C(C)C)cc(C(C)=O)cc1CC=C(C)C 238732285 BXENSVBWXKDKHS-CAOOACKPSA-N 354.490 5.778 0 1 FKAF CC/C=C\C[C@@H](/C=C/C=C\CCCCCCCC(=O)OC)OC(C)=O 238781073 XXQCJTKSMNNZSF-FKTZYJHZSA-N 350.499 5.291 0 1 FKAF O=C1[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]2[C@H]3CC[C@@H](C3)[C@@]12N1CCCC1 299849689 RGRHFPAVKJNGTG-XJFCOAMRSA-N 371.524 5.017 0 1 FKAF Fc1ccc(Oc2ccc(-c3noc(-c4n[nH]c5ccccc45)n3)cc2)cc1 299866801 PKNUDMOOZBHHKI-UHFFFAOYSA-N 372.359 5.211 0 1 FKAF Oc1ccccc1-c1cc(-c2ccsc2)nc2c1COc1ccccc1-2 473126037 YXXLQYCQADTHSF-UHFFFAOYSA-N 357.434 5.742 0 1 FKAF O=C(O)c1ccccc1/C=C/c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586881324 WJDGBYLWGMYGGK-AATRIKPKSA-N 366.726 5.104 0 1 FKAF FC(F)(F)Sc1ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2c1 587115392 MPEFWCSNUAZTFZ-UHFFFAOYSA-N 363.286 5.256 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)c(Cl)c2)cc1F 587144710 CDIBPGKTBMZGTJ-UHFFFAOYSA-N 354.787 6.137 0 1 FKAF CC(C)C[C@H](C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357891 WMBYXXHVYXLEQM-GNOCETLISA-N 370.464 5.721 0 1 FKAF CCCc1c(O)ccc2c1OC1(CCC(Cc3ccccc3)CC1)CC2=O 587483285 QBMJCWJBRJEZFY-UHFFFAOYSA-N 364.485 5.482 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(OC)ccc3s1)CC2=O 587492767 BYKRGSGDKGWALM-GOSISDBHSA-N 368.454 5.275 0 1 FKAF CCCCn1nc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587497843 HAXWPYKEZKGOAD-SFHVURJKSA-N 372.896 5.230 0 1 FKAF CC[C@]1(c2cc(F)c(OC)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587507555 QZCHRDCYFWQBMA-JOCHJYFZSA-N 372.411 5.123 0 1 FKAF Cc1cccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)c1 587523400 IHSZSSHHAXDATN-VWLOTQADSA-N 368.476 6.247 0 1 FKAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccncn2)cc1 587632612 LXYWHSWNZGURHF-UHFFFAOYSA-N 353.784 5.093 0 1 FKAF CC1=CC[C@H]([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587815508 NDXUBWPDFWRMLF-XAYKYTGQSA-N 352.291 5.084 0 1 FKAF Cc1oc2ccccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587827579 KTCVWSHGXBBRRO-OVWNDWIMSA-N 374.253 5.266 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1cccc(Cl)c1 587860849 GSJSRTVZNSQFQC-UHFFFAOYSA-N 366.770 5.279 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CC(C)(C)C 587865021 SKSCVXNRXDBXRW-UHFFFAOYSA-N 354.372 5.044 0 1 FKAF CCOc1ccc(OCC)n1CCOc1cc(C)c(Cl)cc1C(C)C 587943294 UTOPJPYXOCFQQQ-UHFFFAOYSA-N 365.901 5.450 0 1 FKAF CCCC/C=C\c1nc2cc(OCCCCC)c(Br)cc2[nH]1 587965874 PYCHPNPISWPQDK-NTMALXAHSA-N 365.315 6.098 0 1 FKAF Cc1[nH]c2ccc(Br)cc2c1C[C@@H](N)c1ccc(Cl)cc1 1857538550 SLJCCQKIOHAQAU-MRXNPFEDSA-N 363.686 5.135 0 1 FKAF O=C(CCCN1CC[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C1)c1ccc(F)cc1 1857584506 NIYUXHADMUQBAS-GCJKJVERSA-N 371.883 5.106 0 1 FKAF Fc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 1857772066 YCLFWWKRZXZOEX-GOSISDBHSA-N 365.235 5.287 0 1 FKAF CC(C)=CC=C[C@@]1(C)CCc2c(O)c(C(=O)O)c(C)c(CC=C(C)C)c2O1 2356425384 LJFBYGPHKHZLQD-QHCPKHFHSA-N 370.489 5.514 0 1 FKAF CC(=CCC[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C)CC[C@H]3C(C)=CC[C@@H]12)C(=O)O 2356523437 RLOJDPOJHFERLF-BVKNGMCZSA-N 370.577 6.933 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356876420 ZKGCEXPUCJDWMB-SBMXABEUSA-N 374.565 5.715 0 1 FKAF CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)O)cc1 66124238 OEPGZWSBBHNYFS-UHFFFAOYSA-N 366.244 5.241 0 3 FKAF COc1ccc(Nc2nccc3[nH]c(-c4cccc(F)c4)cc23)c(OC)c1 74386988 RTUPHUVHEKUPID-UHFFFAOYSA-N 363.392 5.130 0 3 FKAF CC1(C)Cc2cccc(OCCNCc3cccc(C4=CCCC4)c3)c2O1 3949019 RAIDOKRWKAIHOH-UHFFFAOYSA-N 363.501 5.136 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2N=C(Nc3ccccc3)CCC[C@@]21C 5834651 GLLCVTMTSMMJAZ-VDEHWKIFSA-N 354.582 6.928 0 1 FKAF c1ccc(C2=NO[C@H](c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 6575638 FNJFABLHZKWMJK-HGJSICKSSA-N 358.485 5.348 0 1 FKAF CC[C@](C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 34412296 XKPABPUZOPQTMH-NRFANRHFSA-N 370.880 5.172 0 1 FKAF Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N(C)c1ccc(Cl)cc1 45368558 YNDKRBHBJBXHAV-UHFFFAOYSA-N 361.228 5.233 0 1 FKAF Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C2CCCCC2)cc1 49070961 JQAFMGFSNLCXDE-UHFFFAOYSA-N 359.395 5.810 0 1 FKAF Fc1ccc(-c2cc(NCc3cccc(C(F)(F)F)c3)ncn2)c(F)c1 82162281 IRBNIJYIMBPCDM-UHFFFAOYSA-N 365.305 5.053 0 1 FKAF Fc1ccc(-c2cc(-c3nc4ncccc4[nH]3)c3cc(F)ccc3n2)cc1 84653946 FXLMFUDWFYIQJW-UHFFFAOYSA-N 358.351 5.118 0 1 FKAF Cc1ccc(Nc2nnc(Nc3nc(-c4ccccc4)cs3)s2)cc1 103213753 KQXPADNZBJHRPU-UHFFFAOYSA-N 365.487 5.457 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2ccccc2)C[C@H](c2ccccc2)C1 103919094 QKLLXZDEIMQZJW-DFBJGRDBSA-N 366.464 6.316 0 1 FKAF O=C(O)c1cc(COc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)o1 141285872 SAGWNXBYZYNMDZ-UHFFFAOYSA-N 362.303 5.243 0 1 FKAF CCCCOCCCCCCCCCCCOc1ccc(C(=O)O)cc1 169344813 DHEXWWVTZLEQCM-UHFFFAOYSA-N 364.526 6.091 0 1 FKAF COc1cc(/C=C\c2nc3c(C)ccc(C)c3[nH]2)ccc1Br 586975974 HPWZHLKADOTPDV-CLFYSBASSA-N 357.251 5.121 0 1 FKAF Cc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1N 586994866 BDTDHVAIIDWWFY-UHFFFAOYSA-N 350.421 5.312 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(O)ccc4F)nc13)-c1ccccc1C2=O 586996262 QVUCYDQPSFIRGX-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF Cc1nc(C2CC2)sc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587012731 SVZXKVIURULGGV-UHFFFAOYSA-N 368.687 5.288 0 1 FKAF Clc1cccc(COc2ccc(/C=C\c3nc4cnccc4[nH]3)cc2)c1 587069679 GFFDDXSLWLPEQA-TWGQIWQCSA-N 361.832 5.361 0 1 FKAF Clc1ccc(-c2cnccc2-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587073656 IYNGWAWYRXJHQS-UHFFFAOYSA-N 374.658 6.252 0 1 FKAF Cc1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1Br 587084545 CGCJEZQRPKOCSX-UHFFFAOYSA-N 372.653 5.502 0 1 FKAF CCc1nc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)s1 587101888 IZIVPEWPEHMHPX-UHFFFAOYSA-N 370.477 5.749 0 1 FKAF CN(C)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587102908 BFKYFTUDTNNRKI-UHFFFAOYSA-N 350.421 5.179 0 1 FKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cccc(Cl)c2[nH]1 587150912 UZMJLSSVDYCQKT-GOSISDBHSA-N 351.812 5.557 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)/C(=C\c1ccco1)CCC3 587207987 ZSPNRIPWIWEKSK-PFONDFGASA-N 363.416 5.916 0 1 FKAF COc1cccc(-c2c(CC(F)(F)F)c(C)nc3c2oc2ccccc23)c1 587359411 GMBXXAXSRPMELS-UHFFFAOYSA-N 371.358 6.070 0 1 FKAF COc1cccc(-c2cc(-c3ccccn3)nc3c2oc2ccccc23)c1 587364615 YNRPCEOLTFWGHU-UHFFFAOYSA-N 352.393 5.719 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCNc3cc(Cl)ccc31)CC2=O 587463692 WUOFNSFIOVVOIY-NRFANRHFSA-N 371.864 5.065 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](C[C@@H]1CCCc3ccccc31)CC2=O 587476759 AWNOWHOBJQHMJF-DLBZAZTESA-N 350.458 5.189 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](CCc1ccc(C(C)(C)C)cc1)CC2=O 587487060 YYCQEJBUGGLFAW-GOSISDBHSA-N 366.501 5.609 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1cccnc1)CC2=O 587489984 NOTODQQLSRSEFZ-QFIPXVFZSA-N 359.425 5.113 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(C13CC4CC(CC(C4)C1)C3)CC2=O 587490037 QWKZKVFHUMMWHL-JJHVHIABSA-N 368.517 5.675 0 1 FKAF O=C1C[C@@](c2ccccc2F)(C2CCCC2)Oc2c1ccc1c2CCCC1 587508586 ZJELXBXGNIDZKL-DEOSSOPVSA-N 364.460 5.755 0 1 FKAF O=C1C[C@H](c2cccc(-c3cccnc3O)c2)Oc2c1ccc1c2CCCC1 587518118 BBIKQZVIBIKKIE-JOCHJYFZSA-N 371.436 5.040 0 1 FKAF COc1ccc([C@@]2(c3ccco3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531880 ILLUYZWRRJMIDA-XMMPIXPASA-N 374.436 5.076 0 1 FKAF O=C1C[C@@H](c2ccc(C3CCCCC3)s2)Oc2c1ccc1c2CCCC1 587532730 SGDUPPUBYFWDNM-FQEVSTJZSA-N 366.526 6.381 0 1 FKAF Fc1ccc(-c2c(-c3ccccc3Cl)[nH]c3cc(Cl)c(F)cc23)cc1 587630833 QLUUIPDQRCLOMZ-UHFFFAOYSA-N 374.217 7.087 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c([C@](O)(c3ccccc3)C(F)(F)F)c2c1 587641121 KAWPMDFSUODVJJ-RNODOKPDSA-N 361.407 5.788 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(CCOc3ccc(Cl)c(C)c3)c2c1 587641140 KODQEKLRPQNIQP-AWEZNQCLSA-N 355.909 6.573 0 1 FKAF C[C@@H](C[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1 587817438 CBOFSXOTDJRSSQ-QUJCMNEKSA-N 362.286 5.357 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(Br)c(C)nc2[nH]1 587951355 SYLSPVJMJZZKAC-WBIUFABUSA-N 366.303 5.075 0 1 FKAF CC[C@H]1Cc2ccccc2[C@@]12c1ccsc1CCN2Cc1cccnc1 962991770 FHQQRJHKYQGJDQ-WMZHIEFXSA-N 360.526 5.027 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2C12CCC(OCc1ccccc1)CC2 963227543 JLWHALKGBUKXAA-UPDUBSDMSA-N 363.545 5.698 0 1 FKAF O=C(c1ccncc1)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc12 1857571656 WRNAUCOTYAEERW-UHFFFAOYSA-N 364.807 5.108 0 1 FKAF CC[C@@H]1CN(Cc2ccccc2)c2cc(-c3ccccc3)ccc2N1C(C)=O 1857639933 DUAQTUNCRUDQBX-HSZRJFAPSA-N 370.496 5.505 0 1 FKAF COc1ccc2c(c1)nc(-c1ccc(F)cc1)n2Cc1ccc(F)cc1 1857767136 DAXQIMIZWSOFEM-UHFFFAOYSA-N 350.368 5.038 0 1 FKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCC1=CCCc2ccccc21 603979 YAXADFFGIIXIBE-UHFFFAOYSA-N 362.517 6.085 0 1 FKAF O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@H]1CN3C[C@@H]1CCC[C@H]21)c1ccccc1 13151838 MHYNSJVWRVYYJJ-QIJZPMMNSA-N 372.512 5.540 0 1 FKAF CC[C@@H](C(=O)O)c1ccc(Cc2ccc(F)cc2)c2ccc(OC)cc12 26647422 WONYNLTWGIEAMI-GOSISDBHSA-N 352.405 5.157 0 1 FKAF CN1CCC2(CC1)S[C@H](c1cccc(C(F)(F)F)c1)c1ccccc12 27871214 TVIOYOFJJFOHFS-GOSISDBHSA-N 363.448 5.463 0 1 FKAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc4ccccc4n3)[C@H]12 28571772 VPMOTCNUJNNUFN-ZYUVNURJSA-N 361.485 5.252 0 1 FKAF CCCCO[C@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1ccnc1 45358365 ILUASSXYQOEHHS-MSOLQXFVSA-N 366.958 6.125 0 1 FKAF COc1cccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1 73169022 NKUFCHJXONJOLU-UHFFFAOYSA-N 366.808 5.156 0 1 FKAF CC(C)c1c(O[C@H]2CCCC[C@H]2C)cc(CCc2ccccc2)[nH]c1=O 95586710 TWHPGIQZGKDNQM-XLIONFOSSA-N 353.506 5.241 0 1 FKAF CC[C@H](COc1cccc(Cl)c1Cl)OC(=O)NCc1ccccc1 103190848 HCNBGKKLHHLELB-CQSZACIVSA-N 368.260 5.077 0 1 FKAF Cn1c2cnc1OCCCCCCCCOc1cc3ccccc3cc1-2 103245654 QGVMDYASGGDBIO-UHFFFAOYSA-N 350.462 5.352 0 1 FKAF Clc1ccc([C@H](Nc2ccccc2)c2ccc(-c3ccncc3)cc2)cc1 103265754 WJUYWDJDEYWDBB-XMMPIXPASA-N 370.883 6.604 0 1 FKAF Cc1nc2sc3c(NCc4ccccc4)nn(C)c3c2c(C)c1Cl 219958838 RRGGUNBHDQHVMD-UHFFFAOYSA-N 356.882 5.065 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(N)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 221658148 HPKXOIUOAUEOCY-SQNIBIBYSA-N 369.593 7.333 0 1 FKAF CC(=O)O[C@H]1C[C@@]2(C)C(C)=CCC[C@@H]2[C@@](C)(CC/C(C)=C/C(=O)O)[C@@H]1C 238757917 DJEUHRRTZPCWNH-RPFZPXQASA-N 362.510 5.138 0 1 FKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 586891280 PODAPFSLALBBMZ-ZHRRBRCNSA-N 358.441 5.501 0 1 FKAF Cc1nc2c(C)ccc3c2c(c1Cc1ccccc1F)-c1ccccc1C3=O 586996845 TUJCHRAMFPGCEO-UHFFFAOYSA-N 367.423 5.793 0 1 FKAF Fc1cc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2cc1Cl 587016932 FFOGTNACZAOCJI-UHFFFAOYSA-N 365.220 5.194 0 1 FKAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C)c(Cl)cc2[nH]1 587045046 ZGPQEVZMELCWLJ-UHFFFAOYSA-N 371.651 5.516 0 1 FKAF COc1cc(-c2nc3ccc(F)c(F)c3[nH]2)cc(Cl)c1OCC(C)C 587046230 NSHVDLWGVJLBJS-UHFFFAOYSA-N 366.795 5.205 0 1 FKAF N[C@@H](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccccc1Cl 587057666 QODIUGMFRBILBO-LBPRGKRZSA-N 374.193 5.131 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587068898 FRPKDDMFHGXLSP-MRVPVSSYSA-N 368.651 5.295 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 587170872 VDZAHFKYTVWODR-JTQLQIEISA-N 354.372 5.617 0 1 FKAF CC[C@H](C)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587207338 QXMIURQLESKKLM-INIZCTEOSA-N 363.460 6.627 0 1 FKAF O=C(c1ccc(C(F)(F)F)cc1Cl)c1coc2ccc(Cl)cc12 587278220 JVAJVXQMEJEIKS-UHFFFAOYSA-N 359.130 5.989 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](C1CCC(c3ccccc3)CC1)CC2=O 587482558 OQOALDXFGBENTG-QPFKGPCDSA-N 364.485 5.653 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(C(C)(C)C)cc1)CC2=O 587487071 YYCQEJBUGGLFAW-SFHVURJKSA-N 366.501 5.609 0 1 FKAF O=C1C[C@H](c2cccc(-c3ccc(F)cc3)n2)Oc2c1ccc1c2CCCC1 587506597 KXYLHYCOOOJKND-HSZRJFAPSA-N 373.427 5.473 0 1 FKAF C[C@@H]1C[C@@H](c2ccccc2)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587526834 TXPAOEZGMKVQHQ-CVBYOTHMSA-N 360.497 5.873 0 1 FKAF Cc1cccc(OCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1C 587563235 AYOSWJNYYPLOAY-UHFFFAOYSA-N 360.482 5.910 0 1 FKAF COC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2c(C)cc(Cl)cc12 587624932 XEYJTNKKGKROPI-UHFFFAOYSA-N 359.828 5.432 0 1 FKAF C[C@@H](C1CCCCC1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813522 OKGYKDZRLWMTNN-NQCMUKECSA-N 368.334 5.554 0 1 FKAF COC(=O)c1cccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587949472 HOUCEPOKEYRIDD-PFONDFGASA-N 370.408 5.312 0 1 FKAF Clc1cc([C@]2(C3CC3)c3ccsc3CCN2Cc2ccco2)ccn1 962701876 FDLZRAGYYUXGNZ-HXUWFJFHSA-N 370.905 5.101 0 1 FKAF COc1ccc(Cl)cc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772601893 ILOPXFFSYFBKQU-MRXNPFEDSA-N 373.861 5.079 0 1 FKAF CCn1c2ccccc2c2cc([C@H](O)c3ccc(C)c4ccccc34)ccc21 1857655187 WWVXNRZZDMWJNK-SANMLTNESA-N 365.476 6.358 0 1 FKAF CC[C@H](C)C(=O)c1c(O)cc(OC)c2c1O[C@]1(C)C=C[C@@H](C(C)C)C[C@H]21 1857746988 OISXLTVANHEHGQ-QMDYUFGOSA-N 358.478 5.096 0 1 FKAF CC(C)=C[C@H](O)[C@@H](O)C(C)=CCCC(C)=CCc1c[nH]c2ccccc12 2356435903 RWUFSDSPFFBHHT-GOTSBHOMSA-N 353.506 5.071 0 1 FKAF C[C@@H](c1ccc(F)c(Cl)c1)c1ccc2c(c1)Nc1ccccc1S2 2382221666 OVMHGEBJICABSI-LBPRGKRZSA-N 355.865 6.839 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4Cc5[nH]c6ccccc6c5C[C@@]43C)[C@@H]1CC[C@H]2O 263591669 XAPHYNIJAGNNNA-UMOUMVNVSA-N 363.545 5.486 0 3 FKAF CC/C(=C(\c1ccc(O)cc1)c1ccc(CC(=O)O)cc1)c1ccccc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in-vitro COc1cc(OC)cc(/C(=C/c2ccccc2)c2ccc(OC)c(O)c2)c1 84538118 SXIWLFZFXCXMJJ-SRZZPIQSSA-N 362.425 5.007 0 1 FKAF CN1[C@H]2CC[C@H]1CC(Oc1ccc(C(F)(F)F)cc1)(c1ccccc1)C2 101438040 RZEHFLWNOJILBD-ROUUACIJSA-N 361.407 5.236 0 1 FKAF CC[C@@H](C)CC[C@@H](CC[C@@H](C)CCCC(C)C)[C@@H](C)CCCC(C)C 102191709 OFIAQLKCCAODLR-ROHNOIKCSA-N 352.691 9.134 0 1 FKAF CC[C@H](COc1cc(Cl)ccc1Cl)OC(=O)NCc1ccccc1 103192442 JHJVWDQYBAPXAQ-OAHLLOKOSA-N 368.260 5.077 0 1 FKAF CC(C)Oc1c([C@@H](Nc2ccccn2)c2ccccc2)ccc2cccnc12 103262585 WQXPQDGUUMRXFC-QFIPXVFZSA-N 369.468 5.619 0 1 FKAF Cc1cc2c(cc1C)N[C@@H](c1cccs1)C1=C(O)CC(C)(C)CC1=N2 104702305 UYQUALJFVHZECY-FQEVSTJZSA-N 352.503 6.236 0 1 FKAF COC(=O)[C@]12CCCC(C)(C)[C@H]1CCc1cc(C(C)C)c(OC)c(OC)c12 166033377 WPHRDKKVZLUHBK-UZUQRXQVSA-N 374.521 5.011 0 1 FKAF biogenic,in-vitro C[C@@H](Cc1ccccc1)N[C@@H]1C[C@H]2c3ccccc3CCc3cccc1c32 169359717 DNSDIYWJKBRJKP-RIEVBORMSA-N 353.509 5.583 0 1 FKAF Cc1cc(Br)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 586883365 BKKUIYKASZUNON-IFXJQAMLSA-N 353.263 5.005 0 1 FKAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 586887980 JXHNKVVCBKMCSG-HWPZZCPQSA-N 368.786 5.381 0 1 FKAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(C)ccc(C)c3[nH]2)c(F)c1 587144716 ODGRAVQYCJOVAK-UHFFFAOYSA-N 374.415 5.659 0 1 FKAF Fc1ccc2c(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)coc2c1 587175449 SKYFECHQBCDTQM-UHFFFAOYSA-N 352.312 5.727 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2[C@@H](C3)C2(C)C)c1 587367878 ZJXHWGCPVTWMTG-YLJYHZDGSA-N 355.437 5.952 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(C4CCCCC4)s1)[C@@H](C2)C3=O 587450318 JHEVRCXNTBDESP-BTYIYWSLSA-N 354.471 5.293 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccccc4)cc1)[C@@H](C2)C3=O 587453416 SFGVQFGLTFPFPW-WMZHIEFXSA-N 374.461 5.335 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)ccc(C)c1F)CC2=O 587465991 IRMQLKFEMHKYEL-FQEVSTJZSA-N 362.828 5.326 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(C(CC)CC)s1)CC2=O 587495197 NUEFOWQVHDJZBF-QGZVFWFLSA-N 359.491 5.411 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3c[nH]c(C(=O)O)c3)c(-c3ccccc3)c2c1 587643728 IXKMUKQFBWFXHJ-CQSZACIVSA-N 358.441 6.042 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(Cl)c2)N1 587720161 RJULBNHCZJJCLM-ZKANADHPSA-N 372.640 5.004 0 1 FKAF C[C@@H](c1ccc(F)cc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587730388 FSCFVKURWDLTCW-DDBGAENHSA-N 366.249 5.106 0 1 FKAF CC[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812653 KDBPAUCAIMUWDE-DJJJIMSYSA-N 362.286 5.084 0 1 FKAF C/C(=C/c1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587821801 XTVFKNIAJYRVLV-QHPIRTABSA-N 360.270 5.267 0 1 FKAF COc1ccc(/C=C/Cc2nc3cccc(C(C)(C)C)c3[nH]2)c(OC)c1 587928343 AIAKIFNMZURDND-SOFGYWHQSA-N 350.462 5.134 0 1 FKAF Cc1cc(Br)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 587950630 DSKBSZWWOBSPLH-UHFFFAOYSA-N 357.251 5.232 0 1 FKAF CC/C(=C/c1nc2cc(Br)c(C)nc2[nH]1)c1ccc(C)cc1 587965948 DVYQILVXTNGJBW-LCYFTJDESA-N 356.267 5.288 0 1 FKAF Oc1cccc(-c2cc(-c3cccs3)cc(-c3cccc(Cl)c3)n2)c1 653731238 RCJVTDMFCLFLTM-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF O=Cc1ccccc1Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12 653866700 IAWYFEFHOJOTEE-UHFFFAOYSA-N 367.619 5.061 0 1 FKAF Cc1ccc([C@]2(C(C)C)c3ccsc3CCN2Cc2cccn2C)s1 962399591 RLVZLRHWICKAHD-NRFANRHFSA-N 370.587 5.414 0 1 FKAF Clc1ccc2sc(CCCCN3CC[C@H]4CCCC[C@H]4C3)nc2c1 1772587569 IFPGADOWNOXLNQ-CVEARBPZSA-N 362.970 5.785 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3Cl)cc(-c3ccccc3O)n2)c1 1772604800 GCXQXIRMXBTVRV-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF Cc1ccccc1CNC(=O)c1c(C)nc2ccccc2c1-c1ccccc1 1772642501 ZOSBTOMWBVNWJT-UHFFFAOYSA-N 366.464 5.449 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2cc(O)ccc2C3)cc1 1857567667 OOKLVFLINHXDFN-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF CC(=O)O[C@@H]1C[C@]2(C)C(C)=CCC[C@@H]2[C@](C)(CCC(C)=CC(=O)O)[C@H]1C 2356494444 DJEUHRRTZPCWNH-JTYVBTRNSA-N 362.510 5.138 0 1 FKAF O=C(CN1C=C[C](Cc2ccccc2)C=C1)c1ccc(-c2ccccc2)cc1 2356827570 HFELCZLJRQBHQQ-UHFFFAOYSA-N 364.468 5.696 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@@H]1CCC2=O 4166576 HKUKRSLIEVXDMS-KXEAFHOWSA-N 374.480 5.331 0 3 FKAF biogenic,in-vitro CC(C)CCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1 774857 LYKMEAGOXAMAAW-UHFFFAOYSA-N 368.864 5.438 0 1 FKAF Cc1ccc(O[C@@H](CCN2CCc3ccccc3C2)c2ccccc2)cc1 13530628 UBADXEPQIYZMTN-VWLOTQADSA-N 357.497 5.564 0 1 FKAF O=C(c1ccccc1)c1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1 13588168 UVCZDNANYMDIHR-UHFFFAOYSA-N 370.437 5.147 0 1 FKAF CCC(=O)c1cc2cc3c(cc2o1)CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12 13651827 DXMMRNKHIXQRPX-YRRUUWTKSA-N 352.474 5.243 0 1 FKAF FC(F)(F)c1cccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)c1 13684398 GABJTGFJNPTOCB-UHFFFAOYSA-N 366.346 5.220 0 1 FKAF CSc1ccc2c(c1)Sc1ccccc1N2C[C@@H]1CCCN(C)C1 28821635 GKDHCOFVJKDDND-OAHLLOKOSA-N 356.560 5.353 0 1 FKAF Clc1ccc(C[C@H](Cn2ccnc2)c2ccccc2Cl)c(Cl)c1 33493861 JFBAEZDHQNJUHL-CQSZACIVSA-N 365.691 5.870 0 1 FKAF CCc1c(-c2ccc(O)cc2)nc(-c2ccc(O)cc2)n1-c1ccccc1 35325082 XVXYRXFAOMKFAP-UHFFFAOYSA-N 356.425 5.180 0 1 FKAF O=C(O)c1ccccc1Nc1ccc(CCc2ccc(Cl)cc2)cc1 40936751 YEYVCLOFTATZKD-UHFFFAOYSA-N 351.833 5.567 0 1 FKAF CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C)cc2)c1 43019259 MJTQBEDSIXELDP-UHFFFAOYSA-N 363.505 5.167 0 1 FKAF Cc1cccc(-c2nc(N(C)CC(C)C)ncc2-c2nc(C)c(C)s2)c1 82173022 MXMQDSYYLDEFDU-UHFFFAOYSA-N 366.534 5.285 0 1 FKAF Cc1ccccc1NC(=O)c1cncnc1Oc1cc(Cl)ccc1Cl 95575217 NQNORXPLESHTHB-UHFFFAOYSA-N 374.227 5.136 0 1 FKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4F)cc3)c12 95583129 KDHIGBRXWJKTJH-UHFFFAOYSA-N 374.419 5.177 0 1 FKAF c1ccc(C2=NN(c3ccccc3)[C@H](c3noc(-c4ccccc4)n3)C2)cc1 96914450 FNABZCVBCUMXRJ-NRFANRHFSA-N 366.424 5.092 0 1 FKAF Clc1ccc(C2=NO[C@H](c3ccc(Cl)cc3)N2c2ccccc2)cc1 103184137 ITEYZGVPFOPHIE-HXUWFJFHSA-N 369.251 5.891 0 1 FKAF C=C/C(C)=C/C[C@@H]1[C@@](C)(O)[C@@H]2OC(C)(C)O[C@H]2[C@@H]2C(C)(C)CCC[C@@]12C 238777902 UKAWDTYXZVAWRD-OXOGUAQRSA-N 362.554 5.242 0 1 FKAF Cc1c(Cc2cccs2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586993303 FPQMDQBSAKDTMQ-UHFFFAOYSA-N 357.434 5.113 0 1 FKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587051842 UJEQCQNVNLVXBC-KGLIPLIRSA-N 357.284 6.020 0 1 FKAF COc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1Cl 587076555 WIQUCKQXWXZAFH-UHFFFAOYSA-N 373.243 5.039 0 1 FKAF CC(C)=C1CC[C@H](C)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587102126 YPRBMZHBXUBVPQ-AWEZNQCLSA-N 353.465 6.445 0 1 FKAF Nc1c(F)cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1F 587134259 DAICTTVCUMHYGU-UHFFFAOYSA-N 353.397 5.242 0 1 FKAF Fc1ccc2c(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)coc2c1 587174174 FTSGMJJVUVTQFY-UHFFFAOYSA-N 354.690 5.787 0 1 FKAF COc1cccc(-c2cc(-c3nccnc3C)nc3c2oc2ccccc23)c1 587362985 KSCGBOOYQOZWEF-UHFFFAOYSA-N 367.408 5.422 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3cccc4c3c1CC4)CC2=O 587478153 BJKDPSSJMBLVEJ-VWLOTQADSA-N 372.464 5.477 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(C)o1)CC2=O 587479899 JZUKCXSTKJIFEV-QFIPXVFZSA-N 362.425 5.620 0 1 FKAF CC1=CCCC(C)(C)[C@H]1CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525264 RJXJCXQMKOEKHA-OFVILXPXSA-N 366.545 6.452 0 1 FKAF Fc1cccc(-c2c(-c3ccc(Cl)c(Cl)c3)[nH]c3cc(F)ccc23)c1 587634548 JMGPEKVSTFPXMZ-UHFFFAOYSA-N 374.217 7.087 0 1 FKAF Cc1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587699273 RZUFISDIQBFBPR-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF CC(C)=CC[C@@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587816166 UYAMSTUNAYSCPK-YJYMSZOUSA-N 366.318 5.474 0 1 FKAF Oc1cc(-c2ccco2)c(O)n1CCCc1ccc(Cl)c(Cl)c1 587943178 PHYPKPZAMVFFNP-UHFFFAOYSA-N 352.217 5.099 0 1 FKAF COc1cccc(CCC2CCN(CCc3ccccc3Cl)CC2)c1 653816982 LLVDGJDCDLHWOO-UHFFFAOYSA-N 357.925 5.236 0 1 FKAF CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc2ccccc2c1 653918422 AEVSKUDROBFSSU-UHFFFAOYSA-N 372.295 6.197 0 1 FKAF Cc1cc(F)c(-c2c(Cl)nc(Cl)n2-c2ccc(Cl)cc2)c(F)c1 1772614154 HRABBLRMQDDMIH-UHFFFAOYSA-N 373.617 6.086 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cnc3ccccc3c2)c1 1772615508 HLBLCQBAAZWJQW-UHFFFAOYSA-N 373.843 6.199 0 1 FKAF COc1ccc(C)cc1-c1cccc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772619152 FDSSYKJHZVEKHR-SFHVURJKSA-N 367.470 5.042 0 1 FKAF CCCCCCSc1cc(Cl)c(C(=O)CC[N@@]2C[C@H]2C)cc1Cl 1857742121 BOTHSWILLQNCAB-ASSNKEHSSA-N 374.377 5.943 0 1 FKAF CCC(=O)CCC(C)=CCCC(C)=CCCC=C[C@@H](C)C[C@H](C)C(C)=O 2356475446 CLTCZDNSFUWVFV-YADHBBJMSA-N 360.582 7.006 0 1 FKAF CCC1=C[C@H](c2ccccc2)[C@](C=C(C)C(=O)O)(CC)[C@H]2[C@@H]1[C@H](C)C[C@H]2C 2356762141 CCCHOLIIPIWUMK-YRBOMXKISA-N 366.545 6.456 0 1 FKAF c1ccc2c(c1)ccc[n+]2CCCCCCCC[n+]1cccc2ccccc21 13859953 LGGRUTTWKKNPBL-UHFFFAOYSA-N 370.540 5.609 0 1 FKAF CCCCCCOc1cc(/C=C/C(=O)O)cc(OCCCCCC)c1O 29039156 KPSSDMBVMVKEEI-VAWYXSNFSA-N 364.482 5.408 0 1 FKAF CC[C@H]1CCCCN1c1cc(Oc2ccc3oc4ccccc4c3c2)ncn1 34056156 OZVTUHXOAXVNFY-INIZCTEOSA-N 373.456 5.937 0 1 FKAF CCCCCOc1cc2ccccc2cc1[C@H](O)C/C=C\CCCC(=O)O 34635674 DFUPBCGIVOJPKD-CIRMQIMFSA-N 370.489 5.643 0 1 FKAF CSc1ccc([C@@H]2CC(c3cccc(N)c3)=NN2c2ccccc2)cc1 49088383 KJLFAFDSRDXKAB-QFIPXVFZSA-N 359.498 5.346 0 1 FKAF COc1ccc(Cc2ccc(-c3[nH]c4ccccc4c(=O)c3C)cc2)cc1 84652191 OXTLLXKSVIAVQX-UHFFFAOYSA-N 355.437 5.103 0 1 FKAF Oc1ccc(-c2noc(-c3ccc(O)cc3)c2/C=C/c2ccc(F)cc2)cc1 84706458 SVUZWJZJDDMTHU-LZWSPWQCSA-N 373.383 5.729 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2[C@@H](C)CCC1 169332993 XOZQPDXSJUBMOT-BZSNNMDCSA-N 370.577 7.457 0 1 FKAF Cc1cc2nc(COC3CCCC3)n(Cc3ccc(Cl)cc3)c2cc1C 205191578 YYLDXROODQIWGP-UHFFFAOYSA-N 368.908 5.814 0 1 FKAF O=C(/C=C\C=C/CCCC/C=C\c1ccc2c(c1)OCO2)N1CCCCC1 214846173 BADLEYLQAILHPV-HHROHDGKSA-N 367.489 5.114 0 1 FKAF Cc1nc(Br)sc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587011142 LDINMYXCIZJINY-UHFFFAOYSA-N 363.067 5.064 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)n1 587019984 AOMRHRTUNVCPKQ-UHFFFAOYSA-N 373.453 5.565 0 1 FKAF CCc1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587095211 RZMOSSLYRHKSBX-UHFFFAOYSA-N 358.285 5.830 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H](C)[C@@H]4c1ccccc1)-c1ccccc1C2=O 587102000 YHELLPLAWLUQLR-FOIQADDNSA-N 361.444 6.004 0 1 FKAF Cc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1Cl 587120925 ZSVRMKGXVFTBPR-UHFFFAOYSA-N 350.731 5.087 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccc(Cl)cc3)c1)O2 587379272 HCYQCFSXSRGTTI-OAQYLSRUSA-N 363.844 5.604 0 1 FKAF CC[C@H](c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587402901 IYPJJBXUCOGODS-BWKNWUBXSA-N 371.480 5.632 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccsc3)s1)CC2=O 587495515 OUQLQCOPEOCWNH-INIZCTEOSA-N 371.483 5.236 0 1 FKAF Cc1cc(C)cc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587513371 RTUBZQZBOGWINU-XMMPIXPASA-N 371.480 5.679 0 1 FKAF C[C@]1(c2cccc(-n3cccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587515017 HYYSXSDEFTVYOL-XMMPIXPASA-N 357.453 5.237 0 1 FKAF Cc1ccc(-n2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)c(C)c1 587515117 JMAVVBLZZUOFSG-XMMPIXPASA-N 371.480 5.679 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(C)oc3C)c(C(=O)C(F)(F)F)c2c1 587641228 LLLLTNJUSNUYDW-JTQLQIEISA-N 363.379 6.303 0 1 FKAF CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2ccc([C@H](C)CC)cc12 587642964 XWCAFDMWHVCFGO-CYBMUJFWSA-N 355.865 6.179 0 1 FKAF Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1ccccc1 1772615392 XSBQKDQTQLDWEW-UHFFFAOYSA-N 352.437 5.140 0 1 FKAF NCc1ccc(-c2cncc(OCc3ccc(Cl)cc3Cl)c2)s1 1857764645 KIAFOXYCWPOFHZ-UHFFFAOYSA-N 365.285 5.155 0 1 FKAF CC(C)c1cccc(-c2ccc3nnc(-c4ccc5n[nH]cc5c4)n3c2)c1 2382239272 KUHFZMPXXQAXHQ-UHFFFAOYSA-N 353.429 5.063 0 1 FKAF c1ccc(C[C@H]2CN=C(Nc3ccccc3)N2CCCC2CCCC2)cc1 15924730 VSXMJSNBHKPJLB-QHCPKHFHSA-N 361.533 5.352 0 3 FKAF CC(/C=C/[C@@H]1C[C@]1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C\C(=O)O 13587547 HMDVFKHLXNHBGR-XYFSBJHTSA-N 366.545 6.209 0 1 FKAF CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(=O)c4ccccc4)c3c2C1 13741710 WYHYLXRVYVASMT-HXUWFJFHSA-N 374.528 5.378 0 1 FKAF O=C(CCCCN1[C@H]2CCC[C@@H]1c1c([nH]c3ccccc13)C2)c1ccccc1 29319134 YRSRTQZYVZWNKO-WMZHIEFXSA-N 372.512 5.673 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3 33820806 JBGPYYPQEKGCOJ-GCIZHPIPSA-N 374.565 5.571 0 1 FKAF c1ccc2c(c1)ccc1oc(-c3ccc(OCCN4CCCC4)cc3)nc12 40848631 UQBGWNZEDUUJOK-UHFFFAOYSA-N 358.441 5.123 0 1 FKAF CCC(CC)Nc1c2c(nc3c(-c4ccc(C)cc4C)c(C)nn13)CCC2 72112943 QLDOBVCXNIUGPV-UHFFFAOYSA-N 362.521 5.411 0 1 FKAF O[C@H](CSc1ccc2ccccc2c1)Cn1c2c(c3ccccc31)CCC2 84690531 ZCGXFPYWALTBGE-IBGZPJMESA-N 373.521 5.436 0 1 FKAF Cc1cc(F)cnc1Nc1ccc(Oc2ncccc2C(F)(F)F)cc1 139277642 QJQUYSADPAQACR-UHFFFAOYSA-N 363.314 5.479 0 1 FKAF O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(-c3ccc(Cl)cc3)cc21 143343291 JRTUBNDHIAPIRV-LJQANCHMSA-N 360.762 5.786 0 1 FKAF O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCc2ccc3ccccc3c2O1 169348136 QBGITKGJDDDHHN-SFHVURJKSA-N 372.251 5.479 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](N)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 199613394 DZVCFRNVYAIZLW-LDBGNEBASA-N 350.550 5.445 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2)cc1 586880648 PPAOTYQOGLWSFT-UHFFFAOYSA-N 366.464 5.978 0 1 FKAF Cc1ccc2c3c(cc(-c4ncc(F)cc4Cl)nc13)-c1ccccc1C2=O 586997949 WVVLYEFXVWHIAJ-UHFFFAOYSA-N 374.802 5.609 0 1 FKAF Cc1cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2cc1F 587050351 PBDVLOQZDWLHMW-UHFFFAOYSA-N 364.807 5.810 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2c(Cl)cnc(Cl)c2[nH]1 587065864 AQHMDJQJFGKQKT-UHFFFAOYSA-N 370.667 5.238 0 1 FKAF CC(=O)c1ccc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2c1 587073941 OBJZNQOTVHDARW-UHFFFAOYSA-N 360.844 6.061 0 1 FKAF CCC[C@H](C(=O)OCC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096344 CYXYXHARVPQFKF-KRWDZBQOSA-N 373.452 5.201 0 1 FKAF CCCCCc1nc2c(C)ccc3c2c(c1CCCC)-c1ccccc1C3=O 587099143 BKTZDSKJIUEEJT-UHFFFAOYSA-N 371.524 6.830 0 1 FKAF Fc1ccc(/C=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(F)c1 587151747 VNCPXZQQBGUYKM-YRNVUSSQSA-N 364.420 6.163 0 1 FKAF COc1cc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2cc1Cl 587153435 RDQMIVILFAQVKC-UHFFFAOYSA-N 352.796 5.698 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCCCCCCCCC(C)C)O2 587404669 GUCRWEWKSGBHRS-IBGZPJMESA-N 359.554 6.468 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)c(F)c1)CC2=O 587459679 FITWUFAUTUEXEQ-QGZVFWFLSA-N 368.326 5.209 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc4ccccc4c31)CC2=O 587476774 BAFBOPIKOFMYGG-XMMPIXPASA-N 358.437 5.305 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(OC(C)C)cc1)CC2=O 587482758 JDXGHJBYVXGBLI-HSZRJFAPSA-N 368.473 5.403 0 1 FKAF Cc1cccc(OCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1C 587563203 ALAPGSDWBPKQQT-UHFFFAOYSA-N 354.759 5.431 0 1 FKAF Fc1ccc(-c2c(-c3ccccc3)[nH]c3cc(Cl)c(F)cc23)cc1F 587629432 PWKWRQQQBXSELG-UHFFFAOYSA-N 357.762 6.573 0 1 FKAF CCOC(=O)c1c(-c2cc(F)c(F)c(Cl)c2F)[nH]c2cccc(F)c12 587633495 FBGNYDQREKJVGB-UHFFFAOYSA-N 371.717 5.221 0 1 FKAF Cc1ccc2oc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 587831871 IUUUDOBWLUYNBI-WYRIXSBYSA-N 374.253 5.266 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1ccccc1C 587860348 ROIXKTSZDOQUST-UHFFFAOYSA-N 361.272 5.612 0 1 FKAF COc1cccc(C2(c3nc4cc(Cl)c(Cl)nc4[nH]3)CCCC2)c1 587932497 YSWBFUZXUSOVEK-UHFFFAOYSA-N 362.260 5.133 0 1 FKAF CCCC[C@@]1(c2ccc(C)cc2)NCCc2cc(-c3ccccc3)ccc21 962659200 BCAIHMBBJDKASM-SANMLTNESA-N 355.525 6.242 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1cccn1-c1ccc(Cl)cc1 963101120 JJLMOTYHIZYPIG-UGKGYDQZSA-N 366.867 5.380 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c(Cl)cnc(Cl)c1Cl 963221620 AJVCBFCMHRTBEY-GTNSWQLSSA-N 369.723 5.788 0 1 FKAF COc1cc([C@H]2CCCCc3c2ccc2c3ccn2C)cc(OC)c1OC 1772613853 BWBUFMLHKKEKPK-MRXNPFEDSA-N 365.473 5.062 0 1 FKAF CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cc3c(Cl)cc(Cl)cc3[nH]1)C2 1772623495 CGYLRHPALQBQAM-AXXDXXKNSA-N 365.304 5.419 0 1 FKAF Cc1cnc([C@H](CC(=O)O)c2cc(F)cc(-c3ccccc3F)c2)s1 1772635472 WWDDOZYKSFUMAK-MRXNPFEDSA-N 359.397 5.003 0 1 FKAF CCCC(=O)Oc1cccc2ccc(-c3ccc(C(F)(F)F)cc3)nc12 1857536165 CXZDFZWTDBNCBP-UHFFFAOYSA-N 359.347 5.626 0 1 FKAF O=C1Nc2ccc(Nc3ccc(Cl)cc3)cc2/C1=C\C1CCCCC1 1857563238 NYJXHRXQXWTQCS-XDHOZWIPSA-N 352.865 5.999 0 1 FKAF COc1cccc(-c2ccc3c(c2)[C@H]2CCN(Cc4ccccc4)[C@@H]3C2)c1 1857633078 DLPCNLBLTYEROQ-SQJMNOBHSA-N 355.481 5.797 0 1 FKAF Cc1ccc(C2=NN(c3ccccc3)[C@H](c3cccc4ccccc34)C2)cc1 4382190 KURMNYSHIPGJRW-SANMLTNESA-N 362.476 6.504 0 1 FKAF CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(=O)c4ccccc4)c3c2C1 13741711 WYHYLXRVYVASMT-FQEVSTJZSA-N 374.528 5.378 0 1 FKAF CS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3)CC3(CC3)C2)cc1 13745526 BEAMWMXOENPANF-UHFFFAOYSA-N 358.890 5.228 0 1 FKAF COc1ccc(-c2cc3c(OC)c4c(cc3o2)OC(C)(C)C=C4)c(OC)c1 14613182 YDYRCXABCZSKLX-UHFFFAOYSA-N 366.413 5.310 0 1 FKAF biogenic O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1ccc(Cl)cc1 26570400 RNSIEHCQSNGUMF-OAHLLOKOSA-N 368.839 5.140 0 1 FKAF Cc1c(C(=O)c2ccc(N(C)C)cc2)oc2cc(-c3ccccc3)cc(O)c12 27523525 WYDKFTRFZVZYKP-UHFFFAOYSA-N 371.436 5.411 0 1 FKAF CCOP(=O)(CCCCCOc1ccc(OC)cc1Cl)OCC 27760454 YVHYWEQKHJUIFU-UHFFFAOYSA-N 364.806 5.164 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)OC 33820582 FPVXVIYZKXLTPR-GWPDZESWSA-N 361.570 6.241 0 1 FKAF c1ccc(-c2nc(Nc3nc4ccccc4[nH]3)[nH]c2-c2ccccc2)cc1 45195552 KNWQNQMAFWJHTJ-UHFFFAOYSA-N 351.413 5.364 0 1 FKAF O=C(O)/C=C/c1ccccc1C/C=C\c1cccc(OCc2ccccc2)c1 64230332 LVKAIUNWRQGKFS-BDQXOUHSSA-N 370.448 5.619 0 1 FKAF C[C@H](c1ccccc1)N(C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 72183114 RKWTWNHJCXPBSR-CQSZACIVSA-N 360.379 5.553 0 1 FKAF CC(C)c1c(O[C@H]2CCCC[C@@H]2C)cc(CCc2ccccc2)[nH]c1=O 95587977 TWHPGIQZGKDNQM-PXNSSMCTSA-N 353.506 5.241 0 1 FKAF O=C(O)c1sc(-c2ccccc2)cc1N1C(=O)CC[C@@H]1C1CCCCC1 98208390 XKVVNTKSBNWRDA-MRXNPFEDSA-N 369.486 5.189 0 1 FKAF in-vitro CCCCC[C@H](COc1ccc(C(=O)OCC)cc1)Cc1ccccc1 103179055 QPMHXSVXHQZZHR-FQEVSTJZSA-N 354.490 5.681 0 1 FKAF CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3ccc(C)cc3s2)C1 103184795 UUWCZMVTXWNEIU-UHFFFAOYSA-N 362.498 5.156 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@H]2c2cccc(Br)c2)CCC1 104081672 RYDHOUJCRBHBMC-IBGZPJMESA-N 369.262 5.684 0 1 FKAF Cc1ccc(/C=C/c2cc(Br)c(O)c(Br)c2)cc1 139383962 KBFWJDHSQBPPKE-VOTSOKGWSA-N 368.068 5.396 0 1 FKAF CC(C)(C)c1cccc(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)c1 221078257 WEQAAIJKDZECHR-IBGZPJMESA-N 365.498 5.714 0 1 FKAF C[C@H]1CC[C@H](c2nocc2-c2cc(-c3ccccc3)sc2C(=O)O)CC1 299811826 PPPOJTSWNHXDGM-CTYIDZIISA-N 367.470 6.062 0 1 FKAF Oc1ccc([C@H]2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1 299826048 RXRXDWKLZUYZKS-GOSISDBHSA-N 354.862 5.463 0 1 FKAF Cc1cccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587069719 GRIQYPOIGUNYIU-RAXLEYEMSA-N 374.871 6.274 0 1 FKAF Clc1ccc(CC/C(=C/c2nc3cnccc3[nH]2)c2ccccc2)cc1 587074596 ZXBFFUGSHNYDKJ-JXAWBTAJSA-N 359.860 5.785 0 1 FKAF Fc1cccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587081967 AOQLSUUCCPBQOK-UHFFFAOYSA-N 373.818 6.238 0 1 FKAF Cc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1Cl 587084271 WIXZFHNBDCSOSN-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF CC[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355683 VZMLMJTYCDZYQR-VQUVXCFPSA-N 354.421 5.229 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(c1cc4c(ccc5ccccc54)o1)[C@@H](C2)C3=O 587455037 HTOFLXFEBPPCCT-UUOWRZLLSA-N 370.404 5.257 0 1 FKAF CCCCc1oc2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587534850 ZZSVFRUOXPCRDR-HSZRJFAPSA-N 374.480 6.361 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3cccc(F)c3)[nH]c12 587624743 UAWFDXMZJXMPER-UHFFFAOYSA-N 355.718 5.681 0 1 FKAF CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1-c1ccc2ccccc2n1 587625827 MVVDTEIIJTUKAC-UHFFFAOYSA-N 364.832 5.522 0 1 FKAF Cc1[nH]c2cccc(F)c2c1C[C@@](F)(Cl)C(F)(F)Br 587633794 LZTHYYLPKSWVRO-NSHDSACASA-N 358.560 5.050 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cn3)c(CCC(=O)O)c2c1 587639648 BDEJLRFXYAWDMZ-GFCCVEGCSA-N 356.853 5.414 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(C)oc3C)c(C(=O)C(F)(F)F)c2c1 587641234 LLLLTNJUSNUYDW-SNVBAGLBSA-N 363.379 6.303 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(F)c2)N1 587724006 DIHZOKOVZBKDNU-VPTHRUTESA-N 372.640 5.004 0 1 FKAF CC(C)C[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587807459 CMSCGEWFCKRELR-XIKOKIGWSA-N 356.323 5.410 0 1 FKAF CCCC[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587818889 GEWBIGIUHPYECB-WRSAYESZSA-N 354.307 5.308 0 1 FKAF CC[C@]1(C)C=C[C@@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587819250 USUFJBGVSRGJMB-PJSAGSTRSA-N 352.291 5.084 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C)c(F)c1 587864149 DDBHBHZZZANEOT-UHFFFAOYSA-N 364.342 5.404 0 1 FKAF C(=C/c1ccccc1Oc1ccccc1)\c1nc2cc3cn[nH]c3cc2[nH]1 587949467 HNZRPXNNSMCBOD-ZHACJKMWSA-N 352.397 5.402 0 1 FKAF CC[C@@]1(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)CC(=O)c2ccccc2C1 587958963 AKJDJEMKKYEDLV-FQEVSTJZSA-N 374.818 5.263 0 1 FKAF O=C(c1ccc(F)cc1Cl)N1c2ccccc2Sc2ccccc21 653723579 FWYJCEZYBDWEAE-UHFFFAOYSA-N 355.821 5.922 0 1 FKAF COc1ccc(-c2cc3oc(=O)cc(C)c3cc2-c2cccc(C)c2)cc1 1772578978 MFFRPRBEJQLXOF-UHFFFAOYSA-N 356.421 5.752 0 1 FKAF O=C(O)c1ccc(COc2ccc(C(F)(F)F)cc2C(F)(F)F)cc1 1857543602 RUGMQHNOACFHCE-UHFFFAOYSA-N 364.241 5.001 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)c3c(n2)-c2c(O)cccc2C3)c1 1857564062 WWRIRXXZAMYVKU-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF FC(F)(F)c1cc(Nc2nc3ccccc3nc2Cl)ccc1Cl 1857569618 FZJQRZGJJXOPCB-UHFFFAOYSA-N 358.150 5.699 0 1 FKAF CCc1ccccc1Oc1nc(NCc2ccccc2)nc2ccsc12 61906212 LIFPNIHLBOGSQZ-UHFFFAOYSA-N 361.470 5.658 0 3 FKAF CO[C@@H](C1CCCCC1)[C@H](C)/C=C/CC(=O)OCCCc1ccccc1 7992069 WFDPQRQYLWKFNQ-MLEDKGKVSA-N 358.522 5.340 0 1 FKAF O=C1c2nc3ccccc3c(-c3ccccc3)c2CN1Cc1ccccc1 26742155 IIOMKAGPYJPVNS-UHFFFAOYSA-N 350.421 5.058 0 1 FKAF Oc1ccc(C2=C(c3ccccc3C(F)(F)F)Cc3cc(O)ccc32)cc1 29470905 UCWRYSNOCGZZGH-UHFFFAOYSA-N 368.354 5.632 0 1 FKAF Cc1cc(C(=O)Nc2ccc3c(c2)N(C)CCC3)ccc1-c1ccccc1 40565528 CITDAEVFFAHULM-UHFFFAOYSA-N 356.469 5.297 0 1 FKAF O=C(O)C[C@@H](O)CCc1ccc(-c2ccc3c(c2)oc2ccccc23)cc1 45291720 NNDUJQBMMUXFHC-SFHVURJKSA-N 360.409 5.021 0 1 FKAF O=C(Cc1cccc(Oc2ccccc2)c1)Nc1cccc2ccccc12 73222433 JJIVTZVWEIWTNY-UHFFFAOYSA-N 353.421 5.813 0 1 FKAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(C)c1C 96283516 RVUWASDCOIJWGK-UHFFFAOYSA-N 353.469 5.781 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c3c(c(=O)oc2c1)CC[C@H](C)C3 169324287 MXLFYAKWJFGPKE-HNNXBMFYSA-N 356.506 5.871 0 1 FKAF CC(C)C(=O)Nc1ncc(-c2ccncc2-c2ccccc2Cl)s1 473115314 ROPKDJGJHNEEFN-UHFFFAOYSA-N 357.866 5.120 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 586882867 CHTIHBSIRFNTKC-UHFFFAOYSA-N 350.421 6.484 0 1 FKAF c1ccc(COc2ccc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c3c2)cc1 586885701 CTCCHYORZMRFOA-BWKNWUBXSA-N 366.464 5.513 0 1 FKAF Cc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2n1 587039317 CPXKLOMEZOYHHV-UHFFFAOYSA-N 358.470 5.112 0 1 FKAF Oc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(Cl)c1 587053449 FGUOCNXCLUXLFE-UHFFFAOYSA-N 358.022 5.005 0 1 FKAF Oc1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587074408 XAQKUUNMYNCMMI-NBVRZTHBSA-N 374.871 6.095 0 1 FKAF O=C(O)c1cc(F)cc(-c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)c1 587212896 MEMQUORCZNFOOR-UHFFFAOYSA-N 369.395 5.505 0 1 FKAF COC(=O)c1cccc(-c2ccccc2-c2cc3c4c(cccc4n2)CC3)c1 587214901 WWJCHUJBOGRKNX-UHFFFAOYSA-N 365.432 5.454 0 1 FKAF COc1cccc(-c2c(Cc3ccco3)c(C)nc3c2oc2ccccc23)c1 587367660 YCYJEFMZNDGSED-UHFFFAOYSA-N 369.420 6.149 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(C(C)C)c1)CC2=O 587475601 BBYJIIFCJOLUPJ-OAQYLSRUSA-N 354.446 5.183 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)sc1Cl)CC2=O 587491573 LPJSDNZTLLHXCH-KRWDZBQOSA-N 371.285 5.594 0 1 FKAF Cc1cccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512157 LMBCDUXUPNYQFI-QHCPKHFHSA-N 357.453 5.371 0 1 FKAF O=C1C[C@@]2(CCCC[C@@H]2Nc2ccccc2)Oc2c1ccc1c2CCCC1 587514878 XCTCFRQEZPCTAQ-LADGPHEKSA-N 361.485 5.324 0 1 FKAF CCCCCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587526445 XQOCEDCEENTPST-HSZRJFAPSA-N 364.485 5.841 0 1 FKAF O=C1C[C@H](c2sc(Cl)nc2Cl)Oc2c1ccc1c2CCCC1 587536732 ZSBNYLJDLXOXON-GFCCVEGCSA-N 354.258 5.035 0 1 FKAF Cc1cc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587600584 BJGXNHRBDRRVQE-QPPBQGQZSA-N 374.436 5.194 0 1 FKAF CC/C=C\CCCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602022 IDGWJLGVRRKMTM-AJEASFTHSA-N 366.457 5.639 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H](c1ccccc1)C2 587605359 ZENIPNCBUPPLNB-CODAWKSHSA-N 372.420 5.060 0 1 FKAF O=C(O)Cc1c(-c2ccc(F)c(Cl)c2)[nH]c2ccc(F)c(Cl)c12 587629350 LIWCDTQINUNQSG-UHFFFAOYSA-N 356.155 5.047 0 1 FKAF Cc1cccc2c1[C@H](C)C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587818342 QQGZQVDGTWVFCV-UVARLRKDSA-N 374.297 5.182 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4c(F)c(F)c(F)c(F)c4[nH]3)ccc2c1 587935140 PZEKSWXRMWKUSB-SECBINFHSA-N 374.337 5.433 0 1 FKAF CN(C/C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCO2 1857537998 PLSODUDJDACIKP-AATRIKPKSA-N 357.453 5.228 0 1 FKAF CCN(CC)c1ccc(NC(=S)c2c(-c3ccccc3)noc2C)cc1 1857602367 HFQCGCHUFPPBII-UHFFFAOYSA-N 365.502 5.284 0 1 FKAF Brc1c[nH]c2c(-c3c[nH]c4ccccc34)nc3ccccc3c12 1857643864 WVLZBRGICRZPJL-UHFFFAOYSA-N 362.230 5.627 0 1 FKAF Cc1cc(N2CCc3cc(F)sc3C2)cc(C)c1NC(=O)CC(C)(C)C 1857767873 RCIKALGYTRGPPN-UHFFFAOYSA-N 374.525 5.441 0 1 FKAF CC1(C)[C@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H](C(=O)O)CC[C@@]43C)[C@]2(C)CC[C@H]1O 2356395462 PTSOMORPIOAPGG-XXEOYSGNSA-N 362.554 5.117 0 1 FKAF CC(=CCC[C@]1(C)CCc2cc(O)cc(C)c2O1)CCC[C@H](C)C(=O)O 2356588618 BYBSVSPLZOCDCC-KSFYIVLOSA-N 360.494 5.402 0 1 FKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]1(C)[C@H]2C 2356596870 UESYKCZNUZXPPR-VRSNPOSYSA-N 374.565 5.366 0 1 FKAF CCCCNC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)CC4=O 36387915 PQZWOPSCARSDCV-ZDILWEHHSA-N 373.581 5.275 0 3 FKAF CSC(=N)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 5843864 MPWQUPVQVVHDJK-QZQIYHQISA-N 361.514 5.581 0 1 FKAF CC(C)c1nnc2ccc(-c3ocnc3-c3cccc(Cl)c3Cl)cn12 14961217 VBBYXLSNCXOMBB-UHFFFAOYSA-N 373.243 5.482 0 1 FKAF Cc1nc([C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)co1 26971635 MCSQKDICBVZIBS-JSDYAUHVSA-N 355.522 5.390 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@](C)(COP(=O)(O)O)CCC[C@]12C 28336146 MWCJYWGELHFGRI-OUUBHVDSSA-N 374.502 5.781 0 1 FKAF c1ccc2cc(Nc3nccc(Nc4ccc5c(c4)CCC5)n3)ccc2c1 64475085 MKMMWSIAZMEHCL-UHFFFAOYSA-N 352.441 5.606 0 1 FKAF Cc1cc(F)cc2c1NC(=O)[C@]2(c1ccc(O)cc1)C1CCCCCC1 64540062 DTYGXOKXCOIKGD-QFIPXVFZSA-N 353.437 5.048 0 1 FKAF Cc1nccn1CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 66259564 HSGJOWAKEABYHO-IBGZPJMESA-N 360.379 5.421 0 1 FKAF CCCCc1c(C)nc(-c2ccccc2)nc1Nc1ccc(C(=O)O)cc1 71295906 DIMGPZPLYZYSPJ-UHFFFAOYSA-N 361.445 5.236 0 1 FKAF Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 84567086 HSAJPWIPXMYHCH-UHFFFAOYSA-N 361.445 5.160 0 1 FKAF Oc1nc(-c2ccccc2Cl)nc2c1oc1ccc(C(F)(F)F)cc12 84711957 KKYRWGKJFKLPFO-UHFFFAOYSA-N 364.710 5.421 0 1 FKAF Clc1ccc2c(NCc3ccc(CN4CCCC4)s3)ccnc2c1 95562776 KTGYATOKXDVHDU-UHFFFAOYSA-N 357.910 5.158 0 1 FKAF CC/C=C/CCSC[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100666287 YDJGESKTURUXSO-YCBPDTHASA-N 352.540 5.071 0 1 FKAF Clc1ccc(CO[C@@]2(c3ccc(Cl)cc3)C[C@@H]3CC[C@H](C2)N3)cc1 101300623 MHCNDBUONARPSD-ACDBMABISA-N 362.300 5.320 0 1 FKAF CSc1nc2ccccc2c(=S)n1-c1ccccc1Br 103287324 RNVHZDIRMUSGEC-UHFFFAOYSA-N 363.305 5.239 0 1 FKAF Fc1ccccc1-c1ccc2ncnc(Nc3cccc4[nH]ncc34)c2c1 143173216 RRTHRSWEVXNJAZ-UHFFFAOYSA-N 355.376 5.056 0 1 FKAF Cc1c(F)sc2ccc(N3CCN(c4cnccc4C4CC4)C3=O)cc12 144035197 PTAVVTJGDQBXQI-UHFFFAOYSA-N 367.449 5.068 0 1 FKAF CCC[C@@](C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O 163531916 OFBRRPLYYQOUFR-HXUWFJFHSA-N 352.540 5.723 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)C[C@@]43C)[C@@H]1CC=C2c1cncc(Cl)c1 169268331 SCYWSHPGQNUSDS-ZJPLSKSFSA-N 371.952 5.742 0 1 FKAF CC(=O)OC(C)(C)CCC[C@H](C)CCC[C@H](C)C[C@@H]1CC(C)=CC(=O)O1 238754418 SKZOHFSPGLBGJP-FUHIMQAGSA-N 366.542 5.593 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2ccc(Br)cc2[nH]1 586897077 WUWUSAGQYCFVHN-UHFFFAOYSA-N 365.230 5.365 0 1 FKAF Cc1ccc(C)c(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)c1 586992745 ZDCDZVDPONIEPU-UHFFFAOYSA-N 365.432 5.744 0 1 FKAF Fc1cccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587040676 QKVJLBBWWMWCIT-UHFFFAOYSA-N 361.445 5.547 0 1 FKAF FC(F)(F)c1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cc1Cl 587044045 XXZMRDGVUSFUAT-CQSZACIVSA-N 354.784 5.625 0 1 FKAF Clc1cc(Cl)c2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2c1 587062762 KXRANPXGJPSOMZ-UHFFFAOYSA-N 364.619 5.845 0 1 FKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(F)c(F)cc4[nH]3)c2)cc1 587067628 HULIAUDMBDPUCR-UHFFFAOYSA-N 370.786 5.321 0 1 FKAF Clc1cccc(COc2ccc(-c3nc4cc5[nH]ncc5cc4[nH]3)cc2)c1 587072324 YMFRYCDHQHEHKO-UHFFFAOYSA-N 374.831 5.339 0 1 FKAF Fc1cnc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 587072597 YXNADCMNBINBDD-UHFFFAOYSA-N 359.191 5.133 0 1 FKAF CSc1ccccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587101192 CVVBDJOXLYHXKS-UHFFFAOYSA-N 367.473 6.144 0 1 FKAF CC(C)C[C@@H](CN(C)C)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102862 AAZUZILFQWDMAP-INIZCTEOSA-N 358.485 5.138 0 1 FKAF CC(=O)CC/C=C/CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587206391 LUUWQDHWCFKYBB-NSCUHMNNSA-N 355.437 5.304 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C)C(=O)CC3)c1 587366806 NBOJAZLHDXPAIU-ZDUSSCGKSA-N 357.409 5.275 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc(O)cc1)CC2=O 587482965 PSXLXYUELIHUKI-QHCPKHFHSA-N 374.436 5.424 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1nc(-c3cccs3)oc1C)CC2=O 587496290 VPFTWQNQADBWNC-MRXNPFEDSA-N 369.442 5.076 0 1 FKAF C[C@@]1(c2ccc(-n3cccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516479 UGIZYPIITKTIFM-DEOSSOPVSA-N 357.453 5.237 0 1 FKAF CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(C)C 587525070 PLIZDWAIPHZBLG-QHCPKHFHSA-N 364.485 5.794 0 1 FKAF CCC[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587528108 ZQEALDYHUAFWJU-HSZRJFAPSA-N 350.458 5.235 0 1 FKAF CC(C)CC1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600610 OSAYRDYXNMZGQQ-IBGZPJMESA-N 354.446 5.185 0 1 FKAF CCCC[C@H](CC)C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604564 WUXWGGZRVYPWID-CWFSZBLJSA-N 354.446 5.329 0 1 FKAF Cc1[nH]c2cc(F)ccc2c1C[C@@](F)(Cl)C(F)(F)Br 587634316 YLCHZEFKCYVCKM-NSHDSACASA-N 358.560 5.050 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Br)ncc2[nH]1 587951905 VDTRYRGHDLDAMX-NSHDSACASA-N 368.234 5.014 0 1 FKAF CC[C@]1(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)CC(=O)c2ccccc2C1 587959514 FZXLJYUKDYARLV-LJQANCHMSA-N 374.271 5.033 0 1 FKAF CN[C@@H]1CC=C2C=C3CC[C@]4(C)[C@H]([C@H](C)N)CC[C@]4(C)[C@@H]3CC[C@H]2C1(C)C 2356614795 IECOUAMPFIEPAJ-LMWIANRXSA-N 370.625 5.447 0 1 FKAF c1ccc(CCN2CC[C@H]3C(=C(c4ccccc4)c4ccccc43)C2)cc1 28262133 YXPLOVCCZIIMJL-HSZRJFAPSA-N 351.493 5.534 0 1 FKAF C/C=C(/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)n1ccnc1 28766370 ZVFQEULPCBDSHC-VKNLYSTLSA-N 359.256 5.678 0 1 FKAF CCCSC(=O)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 39233071 DADMQVDTWWROCU-CQSZACIVSA-N 359.278 5.211 0 1 FKAF Oc1c(Br)cc(/C=C/c2ccccc2)cc1Br 40836561 WMVYUPRIADVLTH-VOTSOKGWSA-N 354.041 5.088 0 1 FKAF in-vivo CCCCCCOc1cc(Cl)c(C(=O)CCN2C[C@H]2C)c(Cl)c1 43061333 JAAIRJBWUHNPLG-ILRUXTBWSA-N 358.309 5.229 0 1 FKAF CSc1ccc2c(c1)-c1[nH]nc(NCc3c(C)cccc3Cl)c1C2 45301028 ANUAPLMOSXXXKS-UHFFFAOYSA-N 355.894 5.277 0 1 FKAF O=C(c1ccccc1)c1oc2ccc3ccc(=O)oc3c2c1-c1ccccc1 45370273 SHZOMBUQWPDERM-UHFFFAOYSA-N 366.372 5.437 0 1 FKAF CCC(CC)Nc1c2c(nc3c(-c4cc(C)ccc4C)c(C)nn13)CCC2 72112929 CTHDZVRRKZJPEN-UHFFFAOYSA-N 362.521 5.411 0 1 FKAF CCCCCc1cc(OC)c2cc(Cc3ccccc3C)c(=O)oc2c1 95580230 MZCPYJQKQLUBAD-UHFFFAOYSA-N 350.458 5.434 0 1 FKAF O=C(CCCN1[C@H]2CC[C@H]1c1c([nH]c3ccccc13)C2)c1ccc(F)cc1 100753754 CEDSKJUGADVONS-UWJYYQICSA-N 362.448 5.032 0 1 FKAF Clc1cccc(O[C@@H](CC2CNC2)c2ccc(Cl)c(Cl)c2)c1 299840549 XZQIYFJCZFNASH-KRWDZBQOSA-N 356.680 5.376 0 1 FKAF Oc1cccc(-c2cc(-c3ccsc3)nc3c2COc2ccccc2-3)c1 473112967 DZSOBUFRUUNECZ-UHFFFAOYSA-N 357.434 5.742 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@@H]1C[C@@H](c2ccccc2)CCC1=O 504197491 CBLGISWYJDCLIC-NEHCWNBQSA-N 371.521 5.079 0 1 FKAF biogenic Oc1c(-c2ccccc2)cccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 586896416 LDOQCALUWAUREP-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF Cc1ccc(CSCCc2nc3ccc(Br)cc3[nH]2)cc1 586971404 WWSJUZPITPTDAS-UHFFFAOYSA-N 361.308 5.110 0 1 FKAF CCCC(Br)(CCC)c1nc2cccc(C(F)(F)F)c2[nH]1 586971864 ZLCFFQPWCINCBD-UHFFFAOYSA-N 363.221 5.772 0 1 FKAF OCCc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587051684 SIFFIMLPHUVTLV-UHFFFAOYSA-N 373.239 5.332 0 1 FKAF Fc1ccc(/C=C(/c2nc3ccc4c(c3[nH]2)CCCC4)c2cccs2)cc1 587163778 KRVLZQMJYNZIMF-XMHGGMMESA-N 374.484 6.231 0 1 FKAF CC[C@]1(c2ccc(C(F)(F)F)cc2F)CC(=O)c2cc(C)cc(N)c2O1 587381117 GDWPWZOXMBFXBP-GOSISDBHSA-N 367.342 5.006 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(Cl)cc2C[C@H]1C 587461406 KDDOPPFDHXQLML-XUSGNXJCSA-N 356.849 5.051 0 1 FKAF C[C@]1(c2c(F)cc(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587501563 CEONQZHKGIRGQH-HXUWFJFHSA-N 362.803 5.378 0 1 FKAF COc1ccccc1[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587521055 ADEVPHNKGPGXCB-DEOSSOPVSA-N 364.485 5.481 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1-c1ccc(Br)c(F)c1 587624369 IEILTSHWJATFKA-UHFFFAOYSA-N 352.634 6.007 0 1 FKAF CC(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 587628350 LLIDWFFXALCIMO-UHFFFAOYSA-N 366.617 5.593 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4ccc(Cl)c(C)c4[nH]3)ccc2c1 587936824 ZSEYUTJYDRPECF-GFCCVEGCSA-N 350.849 5.838 0 1 FKAF Fc1c(F)c(F)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1F 587951155 WYRXFIRVGNBHKY-UHFFFAOYSA-N 372.321 5.502 0 1 FKAF CCCC/C=C/c1nc2cc(OCCCC)c(Br)cc2[nH]1 587966869 YWGJSRGNNVNMQH-CMDGGOBGSA-N 351.288 5.708 0 1 FKAF Fc1cccc2c1[C@H](c1ccc(C(F)(F)F)c(Cl)c1)N1CCC[C@@H]1C2 963106781 NKBHIIYTXWSBCC-ACJLOTCBSA-N 369.789 5.608 0 1 FKAF O=C(c1cccc(O)c1)c1ccc(-c2cc(Cl)c(O)c(Cl)c2)s1 1772578548 WPROZZVNORBNEY-UHFFFAOYSA-N 365.237 5.364 0 1 FKAF CCCCc1cn(-c2ccc(C)cc2)n[n+]1Cc1ccc(C(C)(C)C)cc1 1857537644 GZYNGCLKXQPWAZ-UHFFFAOYSA-N 362.541 5.157 0 1 FKAF O=C1c2c(Cl)cccc2C(=Cc2ccccc2O)c2cccc(Cl)c21 1857765086 QHEGCNYYCKNECT-UHFFFAOYSA-N 367.231 5.832 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC[C@@H](C)CCO 2356342151 KLGBTYNAYAZPFD-RUZDIDTESA-N 360.626 7.931 0 1 FKAF CC(=CCC[C@H](C)[C@]1(O)CC=C(C)CCC=C(C)CCC=C(C)CC1)CO 2356605238 YSQWNHGXBZOTNJ-DQEYMECFSA-N 374.609 6.656 0 1 FKAF Cc1nc2cnc(-c3cccc(C(F)(F)F)c3)cn2c1-c1ccc(O)cc1 2382227721 AMEPTLFPJQLLCS-UHFFFAOYSA-N 369.346 5.096 0 1 FKAF CN(Cc1ccco1)c1ncnc2ccc(-c3ccc4c(ccn4C)c3)cc12 36380640 RCXFLVFXWDZVMN-UHFFFAOYSA-N 368.440 5.018 0 3 FKAF COc1cccc(C)c1Oc1ccc2c(-c3ccccc3F)noc2n1 205223613 NRPASHKMDYHLOR-UHFFFAOYSA-N 350.349 5.138 0 3 FKAF CCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n1[C@H](C)C1CCC1 13479584 LXIJMCYSPGOIKM-GFCCVEGCSA-N 374.315 6.329 0 1 FKAF C[C@@H](NC(=O)Nc1cccc2ccc(O)cc12)c1ccc(C(F)(F)F)cc1 13589060 JFLNNQPNHPXWJL-GFCCVEGCSA-N 374.362 5.447 0 1 FKAF CCCC/C(=C\c1cnc(CCCC)n1Cc1ccccc1Cl)C(=O)O 13728086 QGXHHPALYOKVTB-DTQAZKPQSA-N 374.912 5.586 0 1 FKAF C[C@@]12C=C(/C=C/C=C/c3ccco3)[C@@](C)(C1)[C@@H](/C=C/c1ccco1)CC2=O 13783100 UQMOFGNDJAVHLT-PKVCADLESA-N 360.453 6.087 0 1 FKAF CC1=C(c2ccc(O)cc2)[C@H](CCCCCCN(C)C)c2ccc(O)cc21 26579929 HIRUDKIEYVWEEE-JOCHJYFZSA-N 365.517 5.638 0 1 FKAF Cc1ccc(C(=O)c2cc(F)ccc2OC(=O)c2ccc(Cl)cc2)cc1 28713809 AZBZDTDIAIXIRL-UHFFFAOYSA-N 368.791 5.238 0 1 FKAF CC(C)(C)C1(O)CCN(CC2c3ccccc3C=Cc3ccccc32)CC1 33865076 XLRXQKXVTVFZOO-UHFFFAOYSA-N 361.529 5.175 0 1 FKAF Fc1ccc2c(C3=CCN([C@H]4Cc5cccc6cccc4c56)CC3)c[nH]c2c1 36311391 OXZFNGHFFSZQER-DEOSSOPVSA-N 368.455 5.847 0 1 FKAF CCC[C@@H](O)CC[C@](C)(O)CC/C=C(\C)CCC1=C(C)CCCC1(C)C 40980366 QFNAZHJHBGQQAF-MLGXJBKJSA-N 364.614 6.712 0 1 FKAF O=C(NCCCCCCc1ccccc1)Oc1cccc(-c2ccccc2)c1 45484335 MGXPWHVQDGCMAC-UHFFFAOYSA-N 373.496 6.245 0 1 FKAF in-vivo Cc1cccc(-c2nc(N[C@H]3CCCC[C@H]3C)ncc2-c2ncc(C)o2)c1 82167461 UTEDNAHRRJWYIT-BEFAXECRSA-N 362.477 5.406 0 1 FKAF NCCS[C@@](c1ccccc1)(c1cccc(O)c1)c1cccc(Cl)c1 95582135 QVCXZUIOMIZJCE-OAQYLSRUSA-N 369.917 5.029 0 1 FKAF CCCCn1cc(C(=O)Cc2cccc(F)c2F)c2cccc(OC)c21 96905991 WLTBOYGKXFLHGN-UHFFFAOYSA-N 357.400 5.154 0 1 FKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2c(-c3cccnc3)cc(Cl)cc21 144768606 QUAFDAQBEHSDLD-SFHVURJKSA-N 361.750 5.181 0 1 FKAF CC(C)[C@@H]1CCc2nc3ccc(O)c4c3c(c2[C@H]1C)-c1ccccc1C4=O 586990021 HXFQZRWUJXAGKO-KBPBESRZSA-N 357.453 5.474 0 1 FKAF Cc1ccc2c3c(c4c(nc13)Cc1cc(F)ccc1C4)-c1ccccc1C2=O 586997434 XSNHVAHPWWHBQI-UHFFFAOYSA-N 365.407 5.389 0 1 FKAF CC(C)(C)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587049525 MIGLLIIYCAWUPQ-QWRGUYRKSA-N 360.288 5.833 0 1 FKAF CC(C)(C)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2n1 587162150 DEYYDAQKTPGANJ-UHFFFAOYSA-N 373.431 5.293 0 1 FKAF CC(C)C[C@@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208046 QSBMHRALRIKOKC-CQSZACIVSA-N 355.437 5.091 0 1 FKAF CC(C)(C)OC(=O)N1CCCCC[C@@H]1Cc1cc2c3c(cccc3n1)CC2 587213094 TUASWEIFEIBACK-LJQANCHMSA-N 366.505 5.056 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2n1 587247175 IXDCXJAZMJUWME-UHFFFAOYSA-N 370.456 5.175 0 1 FKAF COc1cccc(-c2cc(-c3cccc(C)n3)nc3c2oc2ccccc23)c1 587364644 ZDNYKZWIHWCHKV-UHFFFAOYSA-N 366.420 6.027 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C)s4)s1)[C@@H](C2)C3=O 587450329 JIRLEPOJWMVAPQ-RNODOKPDSA-N 368.479 5.282 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cc(Cl)ccc13)CC2=O 587462071 NCHQVQMTUOOBHK-LJQANCHMSA-N 355.821 5.186 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(c1c(F)cc(F)cc1F)CC2=O 587465734 JVBMPCLULIFLNK-FQEVSTJZSA-N 364.363 5.033 0 1 FKAF CC(C)(C)c1[nH]c2cccc(F)c2c1Cc1ccc(Br)cc1 587632985 UPTKJUOCTMMSGT-UHFFFAOYSA-N 360.270 5.958 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C\C2CCCCC2)N1 587813422 CLVLFBLDXVCLHZ-BUQDYYEQSA-N 366.318 5.474 0 1 FKAF Fc1cc(Cl)cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587954686 AWMJSPKQQQYHJR-KRWDZBQOSA-N 350.824 5.730 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587966914 FHWPLSLLZMPBHG-JQIJEIRASA-N 374.443 6.118 0 1 FKAF CC[C@H](Cc1ccccc1)[C@]1(c2ccccc2)NCCc2cc(C)c(F)cc21 962148862 VLVSZPPSXIYCGQ-ATIYNZHBSA-N 373.515 5.792 0 1 FKAF O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2ccccc2c1=O 1772621329 BAPDKOBWYSNCMV-UHFFFAOYSA-N 359.812 5.080 0 1 FKAF CC[C@]1(CO)CCC[C@@]2(CC)[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(CC)[C@H](CO)[C@]12C 2356340709 VYQWCNNMMGUBMV-VZGVZGJCSA-N 362.598 5.416 0 1 FKAF CC[C@@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356484477 WIVPAKVRSDHFJL-CRGJMJCGSA-N 360.538 5.166 0 1 FKAF CC(=CCC[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C)CC[C@H]3C(C)=CC[C@H]12)C(=O)O 2356523436 RLOJDPOJHFERLF-BHYZFMRKSA-N 370.577 6.933 0 1 FKAF CC[P@@](=O)(OC)c1ccc2nc(-c3ccc(C(F)F)cc3)oc2c1 2382257708 JPZUKXHZBAEZPU-XMMPIXPASA-N 351.289 5.002 0 1 FKAF O=C(Nc1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 6332319 HWYOPWKQRPRPKQ-UHFFFAOYSA-N 374.292 6.397 0 1 FKAF CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNCCC[C@@H](C)N 26175090 ZBINKVYSDZCYDZ-SXPGVMETSA-N 370.625 5.537 0 1 FKAF CC(C)n1c2c(c3ccccc31)[C@H]1CC[C@@H](C2)N1CCCCc1ccccc1 27105222 DPCGTROJFNXOEE-XUZZJYLKSA-N 372.556 6.307 0 1 FKAF COc1ccccc1[C@H]1CC(c2cccc(O)c2)=Nc2ccccc2S1 40973773 PVYNAGGLIAVILG-JOCHJYFZSA-N 361.466 5.759 0 1 FKAF CCCCCCOc1cc(Cl)c(C(=O)CCN2C[C@@H]2C)c(Cl)c1 43061330 JAAIRJBWUHNPLG-JRTLGTJJSA-N 358.309 5.229 0 1 FKAF COc1cc(C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)CC[C@H]2C(C)C)ccc1O 49088337 PQAYAZRCPJMQRB-ZEUNSOBZSA-N 372.505 5.665 0 1 FKAF CC(=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@](C)(C(=O)O)[C@@H]1CC3 85772885 KVWCRPCDFBQMJT-JTEGXVORSA-N 358.522 5.389 0 1 FKAF CN1[C@@H]2CC[C@@H]1[C@@H](c1nc3ccccc3s1)[C@@H](c1ccc(Cl)cc1)C2 101494372 VNCQCMIYVRPIMZ-CIWUYKSXSA-N 368.933 5.684 0 1 FKAF Cn1s/c(=N/c2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)cc1 103184086 BKPAAVXYZOXDLH-XDJHFCHBSA-N 370.692 5.341 0 1 FKAF Cc1ccc2c(c1)N[C@H](c1c(F)cccc1Cl)[C@@H]1C(=O)CCCC1=N2 169722026 SWZGDUAWMLWJDS-VQTJNVASSA-N 356.828 5.396 0 1 FKAF Cc1cc2nc(CC3CCCCC3)n(Cc3ccc(Cl)cc3)c2cc1C 205191196 POLITEGQHLSZOD-UHFFFAOYSA-N 366.936 6.478 0 1 FKAF Fc1ccc(-c2cc(NCCCN3CCCCC3)c3ccccc3n2)cc1 208042666 YJRVGVCPSKPDTB-UHFFFAOYSA-N 363.480 5.329 0 1 FKAF CCCCC1CCC(c2nc3c(C)c(Br)cnc3[nH]2)CC1 586889013 KPKHQKLSGMTVBX-UHFFFAOYSA-N 350.304 5.493 0 1 FKAF CC(C)(C)[C@H]1CCCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586992200 ZKDJZJRNLMNCSE-AWEZNQCLSA-N 371.480 5.693 0 1 FKAF Oc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(Cl)c1 587056910 VZGZBJWRNOIEQL-UHFFFAOYSA-N 358.022 5.005 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cnccc2[nH]1 587070267 GWPZOVPVQRCLJG-BFJACADWSA-N 358.272 5.631 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)cc(F)c3[nH]2)c1F 587152408 MRYJDJMTLOJQTM-NXEZZACHSA-N 367.168 5.014 0 1 FKAF O=C(O)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587163107 HJAUYQVGKXWBPM-XNTDXEJSSA-N 364.401 5.051 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc4c(s3)CCCC4)nc3cccc1c23 587208159 MJQYWJIKPNKPQM-UHFFFAOYSA-N 367.473 6.054 0 1 FKAF FC(F)(F)c1ccccc1[C@H]1CCCCc2c1nc1cccc3c1c2CC3 587210199 JJNWPKGRPUGHSX-QGZVFWFLSA-N 367.414 6.211 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H]1c1ccc(OC(C)C)cc1)O2 587401041 PMDRFBZPQJBXNX-WMZHIEFXSA-N 365.473 5.036 0 1 FKAF COc1cc2c3c(c1)O[C@](CC(C)(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587423580 WAPZHUJFRLMRLA-HTAPYJJXSA-N 370.876 5.428 0 1 FKAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4cccs4)cc1)[C@@H](C2)C3=O 587448639 ALJZGBCUSQNNMJ-HTAPYJJXSA-N 362.450 5.087 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c3ccccc3c1Cl)CC2=O 587459100 CNNPPSFWJZQDKP-KRWDZBQOSA-N 355.821 5.186 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(C(C)(C)C)CC2=O 587463249 UJPBOGSTDGTMJQ-QFIPXVFZSA-N 372.892 5.905 0 1 FKAF O=C1C[C@@H](c2c(Cl)cc(O)cc2Cl)Oc2c1ccc1c2CCCC1 587496886 GRQXIJITXOIVRA-KRWDZBQOSA-N 363.240 5.284 0 1 FKAF CC[C@@]1(c2cc(F)c(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587502373 DKDLRZMBHPMOHZ-NRFANRHFSA-N 360.375 5.253 0 1 FKAF Cc1ccc(C)c(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511865 JXZQSYKFNACIRN-DEOSSOPVSA-N 371.480 5.679 0 1 FKAF C[C@]1(c2ccc(N3CCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587513648 KMAHKYPSYPSDGV-XMMPIXPASA-N 361.485 5.046 0 1 FKAF C[C@H]1C[C@@H](C)C[C@H]([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587604178 UZKMYNQDEVLLQY-VNCHPCCOSA-N 366.457 5.185 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)N(C)Cc1cccc(Cl)c1 587624500 NTVYOXSZUZMWAF-UHFFFAOYSA-N 361.272 5.364 0 1 FKAF COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccncn2)cc1 587632027 AXGYMPLZNHTTDL-UHFFFAOYSA-N 353.784 5.093 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2C(F)F)N1 587719069 PEDVSSCTKVCMOX-XXFAHNHDSA-N 370.212 5.149 0 1 FKAF Cc1ccc(C2CC3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 587818396 RIRYUTPMVZRMBE-CETSPDHXSA-N 374.297 5.204 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3cnc4ccccc4c3[nH]2)cc1 587935752 IZDXFBFOQOSRCV-JOCHJYFZSA-N 365.436 5.300 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(Cl)cc(F)c3[nH]2)cc1 587938497 WMXVZHYSFBMBTC-LJQANCHMSA-N 366.823 5.544 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587952074 XRYWJFSHEDFTDD-VIFPVBQESA-N 360.310 5.413 0 1 FKAF COc1ccc([C@@H]2C(=O)c3ccc(OC)cc3[C@H]2c2ccc(C)cc2)cc1 653721795 ZHAOIEOZLLXJRG-PKTZIBPZSA-N 358.437 5.124 0 1 FKAF Cc1ccoc1C(=O)Nc1ccc(N2CCc3ccccc3C2)c(Cl)c1 653740715 PLENDPYAKXQIAY-UHFFFAOYSA-N 366.848 5.056 0 1 FKAF Brc1ccc([C@@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1 653793940 NDROYKVENXUMAB-GOSISDBHSA-N 369.306 6.038 0 1 FKAF CN1CCC[C@H](c2ccc3c(c2)CC[C@H]3N(C)Cc2ccc(Cl)cc2)C1 653805861 UOBRTKRGDGOYCS-NZQKXSOJSA-N 368.952 5.269 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(C3CC3)oc3ccc(O)cc23)N1 962942131 BNDDWITULATCQU-PSLXWICFSA-N 372.468 5.511 0 1 FKAF COc1cccc2cc3c(nc12)[C@H](c1ccc(-c2ccc(C)cc2)o1)NCC3 963057160 MCMQREDZVPQDEC-DEOSSOPVSA-N 370.452 5.047 0 1 FKAF Cc1nc(COc2ccc(-c3cccc(C4CCNCC4)c3)cc2)cs1 1772576785 SEKGHIIPOZFWMJ-UHFFFAOYSA-N 364.514 5.165 0 1 FKAF Clc1cccc(CNc2ccc(NCc3cccc(Cl)c3)nc2)c1 1772645198 FIULEJFUOPBYHQ-UHFFFAOYSA-N 358.272 5.613 0 1 FKAF CC1=CC(=O)O[C@](C)(C=CC=C(C)c2c(Cl)c(O)cc(O)c2Cl)C1 2356799992 POCKNPOBOYYAPB-GOSISDBHSA-N 369.244 5.016 0 1 FKAF O=C(Nc1cc(-c2ccccc2)sc1C(=O)O)Oc1ccc(Cl)cc1 13589570 KTPKHNIYXBYFFK-UHFFFAOYSA-N 373.817 5.378 0 1 FKAF Cc1cc2c(cc1[C@H](C)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 13742681 XJSNHTMGLPUJFA-MRXNPFEDSA-N 350.502 6.194 0 1 FKAF O=C([C@@H]1C[C@H]1CCCCOc1ccc(-c2ccccc2)cc1)C(F)(F)F 13860576 ITSACUVEMJVYBM-IEBWSBKVSA-N 362.391 5.670 0 1 FKAF CCc1cccc(NC(=N)Nc2cc(C(F)(F)F)cc(CC)c2F)c1 27431096 KOWLAXYYKFCOEP-UHFFFAOYSA-N 353.363 5.428 0 1 FKAF CC[C@@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)OC(C)C)c[nH]c1=S 28355529 VIKJUBIPQBLPFB-ZDUSSCGKSA-N 373.305 5.417 0 1 FKAF COC(=O)c1c(C)c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc12 29335807 OFHOZJZLCXMJDD-UHFFFAOYSA-N 371.411 5.803 0 1 FKAF COc1ccc(-c2ccc(-c3ccc(OC)c(OC)c3)c(OC)c2)cc1 96930199 XXOWIXAFKLMIJA-UHFFFAOYSA-N 350.414 5.055 0 1 FKAF COCC[C@@H](CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)C(=O)OC 238743178 IARINBYKFZKPKN-MDPIYQRISA-N 350.543 5.391 0 1 FKAF CC(=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 255201276 BYWYKEGJFQILIV-GPQJWTESSA-N 358.566 5.830 0 1 FKAF CCCCC[C@@H]1Cc2c(cc(O)c3c2OC(C)(C)C2=C3C[C@@H](C)CC2)[C@H]1C 299849338 JYBKWVOBWXXRBB-YESZJQIVSA-N 368.561 6.993 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc3nc(C)ccc3c2[nH]1 587062520 URCXYTSLRCGQEC-KRWDZBQOSA-N 351.837 5.603 0 1 FKAF Cc1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2n1 587072285 QHKJERICPZOZDV-ZPGCQJFOSA-N 372.299 5.939 0 1 FKAF CCCCC[C@@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099489 KVSDQCBOTYTOKN-KRWDZBQOSA-N 371.480 6.008 0 1 FKAF CC(=O)C[C@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587101972 XXWPDWVYPRJXLP-OAHLLOKOSA-N 355.437 5.154 0 1 FKAF COc1ccc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587107207 PZLIHWYCMKHMDQ-UHFFFAOYSA-N 351.405 5.046 0 1 FKAF CC(C)Oc1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587135646 ADZRKEKNHHLYHG-UHFFFAOYSA-N 367.193 5.058 0 1 FKAF Cc1cc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c2cc1C 587145104 HPVJVCOHCAEPOY-UHFFFAOYSA-N 364.851 6.615 0 1 FKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(F)cc3[nH]2)c(Cl)c1 587159866 WMZYIEGKROYSGF-LJQANCHMSA-N 370.786 5.663 0 1 FKAF Cc1c(F)ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587164700 VKNYSZSQMFIXNC-PTNGSMBKSA-N 352.409 5.800 0 1 FKAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(Cl)cc(F)c2[nH]1)C1CCCC1 587226834 URPCIQOULGMVLG-AWEZNQCLSA-N 367.852 5.111 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2)cc1 587242858 VWERKUXCMIZSFZ-UHFFFAOYSA-N 370.334 5.093 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(Cl)nccc3c1)CC2=O 587461479 MTUGUCNYJLHCOH-LJQANCHMSA-N 367.832 5.253 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c3ccccc13)CC2=O 587471721 MREICKOWKFOHLZ-NRFANRHFSA-N 350.389 5.344 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccccc3)c(F)c2)Oc2c1ccc1c2CCCC1 587502397 DLGZROIRQUJQQP-XMMPIXPASA-N 372.439 6.078 0 1 FKAF CCCCn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587515947 PQVIEBLHEQWOCH-JOCHJYFZSA-N 374.484 5.422 0 1 FKAF CCSc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587533235 RNAFXYCBJJPHLK-QFIPXVFZSA-N 352.499 5.558 0 1 FKAF CCc1c(-c2ccc(Br)c(C)c2)[nH]c2c(C)cc(Cl)cc12 587623741 NZAVVNPCPAXDMC-UHFFFAOYSA-N 362.698 6.430 0 1 FKAF CC(C)=CC1(C=C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813171 BSTUBDFPPWQKBJ-ZDUSSCGKSA-N 352.291 5.250 0 1 FKAF Cc1ccc(C)c(C[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587820726 QJAWODCLMBKUFX-DYVFJYSZSA-N 362.286 5.023 0 1 FKAF CC(C)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587821182 SVUVDKKTNMALLV-CWTRNNRKSA-N 362.286 5.335 0 1 FKAF O=C(Nc1ccccc1-c1nc(-c2ccc(F)cc2)cs1)c1ccco1 587923078 MSBDRFNQBPGRJP-UHFFFAOYSA-N 364.401 5.462 0 1 FKAF CCCC/C=C\c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587966947 ZRHBJEDJQBEEAA-FPLPWBNLSA-N 351.288 5.564 0 1 FKAF COc1ccc2c(c1)[C@H](c1cccn1-c1ccc(C)cc1)N(C(C)C)CC2 962093872 UFQGFBMLAZJAQY-XMMPIXPASA-N 360.501 5.150 0 1 FKAF CCCCC[C@]1(c2ccnc(Cl)c2)c2ccc(F)cc2C[C@H]2CCCN21 963116267 WFCZBHHZZBUCLY-KNQAVFIVSA-N 372.915 5.719 0 1 FKAF CCCCC[C@@]1(c2ccc(O)cc2)c2ccccc2C[C@H](C)N1CCC 963230782 AIWQCJDYMAFNKF-YADARESESA-N 351.534 5.873 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@H]1CCP(=O)(OCC)OCC 963235077 FOYIFNIBIPOUJB-VQIMIIECSA-N 353.443 5.041 0 1 FKAF CC1=C(CCc2nn[nH]n2)c2ccccc2/C1=C\c1cccc2ccccc12 1857551066 SRAZJFLBDBPBGX-HAHDFKILSA-N 364.452 5.313 0 1 FKAF CC(C)Oc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1 1857602863 QEHDNJNWBKJWNE-UHFFFAOYSA-N 352.503 5.306 0 1 FKAF Cc1ccc([C@@]2(C)CCC(=CBr)[C@H]2C)cc1Br 2356802056 QZOZKGBLDKKGGO-ABAIWWIYSA-N 358.117 5.724 0 1 FKAF COc1cc(OC)cc([C@@H](C)c2ccc3c(c2)Nc2ccccc2S3)c1 2382227538 ZLKSNNMGCWIXNB-AWEZNQCLSA-N 363.482 6.064 0 1 FKAF O=C(c1ccccc1)[C@H]1Oc2ccc3ccccc3c2[C@@H]1C1CCCCC1 2382246865 ZNWOLBPMBAOJQA-DHLKQENFSA-N 356.465 6.148 0 1 FKAF COc1ccccc1-c1sc2ccccc2c1-c1ccc2c(c1)OCCO2 36388659 ZKYHIKWGAIOKRZ-UHFFFAOYSA-N 374.461 6.015 0 3 FKAF CC1(C)C[C@H](Cc2cccc(C(F)(F)F)c2)N(C(=O)OC(C)(C)C)C1 61921053 NCULFWVXMCNCLQ-HNNXBMFYSA-N 357.416 5.284 0 3 FKAF COP(=O)(C[P@](=O)(OC)OCC[C@@H](C)CCC=C(C)C)OC 1862119 WHBJOLUMANAQER-FPTDNZKUSA-N 356.336 5.059 0 1 FKAF Clc1cccc2c1OC[C@@H]1C(c3ccccc3)=NN(c3ccccc3)[C@H]21 5823913 IVBZICOWGJXCMT-WIYYLYMNSA-N 360.844 5.314 0 1 FKAF CCC1(CC)OC(=O)N(C)c2ccc(Nc3ccc(F)c(Cl)c3)cc21 28878714 QIELGRBRJQENGT-UHFFFAOYSA-N 362.832 5.824 0 1 FKAF c1ccc([C@@H]2c3ccccc3[C@@H]3CCN(CCCN4CCCCC4)C[C@@H]32)cc1 39223528 BVOWTSXZGLAREC-AYRHNUGRSA-N 374.572 5.114 0 1 FKAF CCCCCCOc1c(-c2ccccc2)cc(O)c(-c2ccccc2)c1O 40875790 ZAELDEOQYPXIMT-UHFFFAOYSA-N 362.469 6.391 0 1 FKAF Oc1c(F)cc(CNCCC=C(c2ccccc2)c2ccccc2)cc1F 40915354 NGZXGBBRTGEYNW-UHFFFAOYSA-N 365.423 5.282 0 1 FKAF CCCCCN(CCCCC)C(=O)C(Cl)(C(F)(F)F)C(F)(F)F 68574163 GRTMFNFBZAJAAI-UHFFFAOYSA-N 369.777 5.298 0 1 FKAF biogenic Cc1cccc(Sc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 84727924 OAQAVEOPTPROSR-UHFFFAOYSA-N 369.704 5.916 0 1 FKAF O=C(O)CCCCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 102184841 CKZGRGZXFFNECL-AAIORFRSSA-N 360.582 6.680 0 1 FKAF CCCCC/C=C/C/C=C/C/C=C\C/C=C/CC[C@@H](C)C(=O)NCCO 169692762 POPPPMLPRVFFPI-XDYPAROQSA-N 361.570 5.487 0 1 FKAF Cc1ccc([C@@H](C[C@H](N=O)c2ccncc2)c2ccc(N(C)C)cc2)cc1 169730238 MITMTGJJFPFSEA-PKTZIBPZSA-N 359.473 5.486 0 1 FKAF CCCOc1ccc(-c2csc(=Nc3cccc(SC)c3)[nH]2)cc1 473086906 INUYUKDAOOFKLK-UHFFFAOYSA-N 356.516 5.486 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1 586896207 LQNAFFQVJHRBEC-UHFFFAOYSA-N 370.452 5.065 0 1 FKAF Cc1ccc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2n1 586981979 GPHRUGCPEONDMX-HNNXBMFYSA-N 372.310 5.401 0 1 FKAF Oc1ccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c1 587015834 UTFKCYCRFLTQNQ-UHFFFAOYSA-N 362.241 5.366 0 1 FKAF FC(F)(F)Oc1cccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587026675 WQZIIXLLGMHWIT-UHFFFAOYSA-N 360.360 5.857 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4nc(Cl)ccc4[nH]3)c21 587031592 TXFOZERBVPQUER-LLVKDONJSA-N 368.893 5.570 0 1 FKAF Cc1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1Br 587036801 NSMRODIGUHZYMP-CQSZACIVSA-N 365.321 5.074 0 1 FKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 587048458 HQZHRMUXULOTAB-RNFRBKRXSA-N 373.070 5.843 0 1 FKAF Cc1cc(Cl)cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587050665 QNDNTPLQQVVISO-GHMZBOCLSA-N 351.664 6.103 0 1 FKAF COc1cccc(-c2ccc(-c3nc4c(Cl)ccnc4[nH]3)c(Cl)c2)c1 587052550 USYMFCBYLDUEPK-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF Oc1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(Cl)c1 587054712 QMAHBSWPJBMCOZ-UHFFFAOYSA-N 350.805 5.168 0 1 FKAF Cc1cc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2cc1C 587065020 RORLTRZNOCMRRE-UHFFFAOYSA-N 352.821 5.672 0 1 FKAF Clc1cccc(COc2ccc(/C=C/c3nc4cccnc4[nH]3)cc2)c1 587068895 BKJHVYNNGYEDAE-DHZHZOJOSA-N 361.832 5.361 0 1 FKAF Cc1ccc2c3c(cc(-c4cc5ccccc5cn4)nc13)-c1ccccc1C2=O 587095876 CHXWZXXRPPGBIP-UHFFFAOYSA-N 372.427 5.970 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1ccc(F)cc1)CC3 587103817 JLZRSEYWUZYIFC-MRXNPFEDSA-N 365.407 5.663 0 1 FKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccccc3[nH]2)c(Cl)c1 587157731 BTHJCLVPDJFGNL-LJQANCHMSA-N 352.796 5.524 0 1 FKAF COc1cc(C)c(N)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587249949 QBJHHPNCDCMCEM-UHFFFAOYSA-N 361.470 5.280 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C)cc4)s1)[C@@H](C2)C3=O 587452026 QDEOKBPUIGKWDR-AOMKIAJQSA-N 362.450 5.221 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccc(OCC)cc1)(C1CC1)CC2=O 587480278 OKJBJKVWWDUYRV-QHCPKHFHSA-N 366.457 5.014 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCCCC13CCCCC3)CC2=O 587483608 QZWFGQLINKWXGO-QHCPKHFHSA-N 356.506 5.963 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cccs3)n1)CC2=O 587496465 XYLHLYRVJLMMTH-LJQANCHMSA-N 365.454 5.175 0 1 FKAF O=C1C[C@H](c2ccc(C(F)(F)F)s2)Oc2c1ccc1c2CCCC1 587508331 ONTBSVJLQJXCKG-CQSZACIVSA-N 352.377 5.352 0 1 FKAF CC[C@]1(c2c(F)cccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587509079 WDNDKEZGOYLHPX-OAQYLSRUSA-N 358.840 5.629 0 1 FKAF CCOc1ccc2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 587521599 BTABIKZQHNFNAC-HSZRJFAPSA-N 373.452 5.219 0 1 FKAF Fc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3ccc(F)c(Cl)c23)cc1 587630240 HOZJRLZWGXCTLG-UHFFFAOYSA-N 374.217 7.087 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(O)(C(F)(F)F)C(F)(F)F)c2c1 587643325 ZRFJFYKMABQPSM-MRVPVSSYSA-N 353.306 5.302 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(-c3ccncn3)c2c1 587643354 DJPJYIKAARFNFO-OAHLLOKOSA-N 357.457 5.814 0 1 FKAF CC[C@@H]1CCC[C@H]([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C1 587823389 PJNPNHGNGXXSKL-ZIVKBKJYSA-N 354.307 5.380 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(Cc1ccc(F)cc1)c1ccncc1 963235531 WUYIAQSMFHEYMU-DFBJGRDBSA-N 374.503 5.364 0 1 FKAF CC[C@@H](C)C(=O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCc1ccccc1 1772570407 UBMUOZHWNMVYDD-CQSZACIVSA-N 363.457 5.189 0 1 FKAF C[C@]12CC[C@@H]3[C@@H]4CCC(F)(F)C[C@@H]4CC[C@@]3(C)[C@@H]1CC=C2n1ccnc1 1772585524 SMDFRXBQPIYDDX-MJNRMZHSSA-N 360.492 6.012 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@H]2[C@@H]1CCC(=O)OC1 2356632723 PXOHOSHERMSUCD-HCFPARHQSA-N 358.566 5.989 0 1 FKAF CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)N[C@@H](C)C(=O)O 2356781900 JSNAKIATBRGNKG-IBGZPJMESA-N 371.521 5.107 0 1 FKAF Cc1cc(-c2cccc(-c3cn(CO)c4ccccc34)c2)c2ccccc2n1 2382221493 RUBRMFNRKKOPQE-UHFFFAOYSA-N 364.448 5.782 0 1 FKAF COc1cc2ccnc3c(-c4cccc(C(F)(F)F)c4)c[nH]c(c1OC)c23 2382221892 RUOFSEFVHNEMBR-UHFFFAOYSA-N 372.346 5.419 0 1 FKAF Cc1cc(CCCc2ccccc2)c(CCCCC[C@@H](C)C(=O)O)s1 13726662 XHWVSVODLQKTPR-QGZVFWFLSA-N 358.547 6.055 0 1 FKAF O=C(O)CC[C@@H](C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 13780350 XFZNMCPTCABURS-JOCHJYFZSA-N 374.436 5.097 0 1 FKAF CC(=O)NC[C@@H]1C[C@@H]1c1cccc2oc(CCCCc3ccccc3)cc12 28391047 VECIKHNMWFUKTJ-UGKGYDQZSA-N 361.485 5.238 0 1 FKAF Fc1cccc(-n2cnc3cnc(-c4cccc(OC(F)(F)F)c4)cc32)c1 82081804 ZISZOVFBAXQWRF-UHFFFAOYSA-N 373.309 5.125 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cn(CCCC(=O)O)nn1 84706640 QFQYSDPFXWEQKS-PETAQHBASA-N 359.514 5.105 0 1 FKAF Oc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3Cl)c2)cc1 95553074 YHCIDYWZHJNJIT-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF COc1cccc(-c2ccc(C(=O)N(C)c3cccc(C)c3)s2)c1F 95583009 XKSCIJURQXCMAZ-UHFFFAOYSA-N 355.434 5.148 0 1 FKAF COc1ccc([C@@H]2c3cc(OC)ccc3N[C@H](c3ccccc3)[C@H]2C)cc1 96913180 SJKWGHPDDCNDII-GHEQTVGYSA-N 359.469 5.639 0 1 FKAF CN1[C@H]2CC[C@@H]1C[C@@H](CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100897382 USTUNSNQMDWSMK-PFBXHNHHSA-N 371.471 5.334 0 1 FKAF c1ccc2c3nc(C4CCCC4)nc-3c(Nc3ccc4c(c3)CCC4)[nH]c2c1 101412448 NZFDBINXNRUFCN-UHFFFAOYSA-N 368.484 5.953 0 1 FKAF CC(=O)OC(C)(C)[C@H]1CC/C(C)=C\CC/C(C)=C/CCC2=C[C@@H]1OC2=O 169290356 JRHSHBMAWLBQTD-OYGJRHOGSA-N 360.494 5.043 0 1 FKAF Cc1cc(Nc2cccc(Nc3ccccc3)c2)c2c(ccc3nc[nH]c32)n1 169322936 LLRNJXWALBCEFE-UHFFFAOYSA-N 365.440 5.907 0 1 FKAF CC(=O)OC(C)(C)[C@@H]1CC/C(C)=C\CC/C(C)=C/CCC2=C[C@@H]1OC2=O 195099188 JRHSHBMAWLBQTD-CNNXMPOISA-N 360.494 5.043 0 1 FKAF CCC[C@H](O)CC[C@@](C)(O)CC/C=C(/C)CCC1=C(C)CCCC1(C)C 238740391 QFNAZHJHBGQQAF-MVZGMYQSSA-N 364.614 6.712 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cccc(-c5ccccc5CO)c4)[nH]c32)n1 586894752 CGEKKLCIVTVWTL-UHFFFAOYSA-N 365.436 5.246 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)cc2C1 587034840 ZNDRVZZMPWUTPH-MRVPVSSYSA-N 354.372 5.574 0 1 FKAF Cc1nccc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc12 587060167 CVZIVYUEXBAJDH-UHFFFAOYSA-N 370.843 5.802 0 1 FKAF Cc1ccc2c(ccc3[nH]c(-c4cccn4-c4ccc(Cl)cc4C)nc32)n1 587065949 GAPGBPLYGGOKAR-UHFFFAOYSA-N 372.859 5.839 0 1 FKAF Cc1ccc2c3c(cc(-c4c[nH]c5c(C)cccc45)nc13)-c1ccccc1C2=O 587097772 SPWPINSKHDBSDV-UHFFFAOYSA-N 374.443 6.211 0 1 FKAF Cc1cccc2c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c[nH]c12 587105855 IQZCTZPACFMCKY-UHFFFAOYSA-N 360.416 5.903 0 1 FKAF Fc1ccc(F)c(SCc2cccc(-c3nc4ccc(F)cc4[nH]3)c2)c1 587140585 DEIHXRNLWROUFB-UHFFFAOYSA-N 370.399 5.940 0 1 FKAF COc1ccc(-c2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(F)c2)c(F)c1 587152231 KRMDRVOFVWNWOZ-UHFFFAOYSA-N 364.395 5.801 0 1 FKAF Fc1ccc(/C=C(/c2nc3ccc(Cl)cc3[nH]2)c2cccs2)cc1 587163879 MMRXJJFESPHOPM-XNTDXEJSSA-N 354.837 6.006 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(-c3coc4cc(F)ccc34)[nH]c2c1 587176031 ZMYCUANKJAQTCV-UHFFFAOYSA-N 356.356 5.346 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C(C)C)CC3)c1 587365668 IHGJUMUBOPYCTL-QGZVFWFLSA-N 357.453 6.342 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]3C(C)C)c1 587367434 QGCZYSAOMWXJAA-QGZVFWFLSA-N 357.453 6.342 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCCCc3ccccc31)CC2=O 587476786 BICOWTNYBUUOPX-VGOFRKELSA-N 350.458 5.189 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(CC[C@H]1C(C)=CCCC1(C)C)CC2=O 587489249 NXVDEXUMEKKQMQ-CYFREDJKSA-N 370.533 6.231 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(CCSc1ccccc1)CC2=O 587492211 NQJFZCIHPMTTHH-OAQYLSRUSA-N 356.487 5.251 0 1 FKAF CCOC(=O)C[C@]1(CCCC(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587524972 OOKNPMMJKKYMLN-QHCPKHFHSA-N 372.505 5.049 0 1 FKAF CC[C@]1([C@H](C)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599380 FRSBZHKHYIBZHY-QVJSAIJNSA-N 374.436 5.306 0 1 FKAF CCC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(C)cc(Cl)cc12 587624746 UDNLGOXIDOSCDF-UHFFFAOYSA-N 365.782 6.408 0 1 FKAF CC(C)(C)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)C(F)(F)C(F)(F)F 587629556 BIKPMSBKTNYRNO-UHFFFAOYSA-N 371.708 5.638 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCC2CCCCC2)N1 587821392 UQYCSFCIHAXACJ-SGTLLEGYSA-N 354.307 5.524 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 587958639 CYBMHXHRXAATCG-UHFFFAOYSA-N 355.485 5.822 0 1 FKAF COc1ccc2c(c1)[C@H](c1cccn1-c1cccc(C)c1C)N(C(C)C)CC2 962095188 YDSSSLJMFNYAFF-RUZDIDTESA-N 374.528 5.459 0 1 FKAF C[C@@]1(c2cc3cc(Cl)ccc3o2)c2ccc(F)cc2C[C@H]2CCCN21 963110104 QKRNREFYODLNOT-UTKZUKDTSA-N 355.840 5.509 0 1 FKAF Clc1ccc(CN=c2ccc(NCc3ccc(Cl)cc3)c[nH]2)cc1 1857554259 GXEMBBMJQVGMTB-UHFFFAOYSA-N 358.272 5.035 0 1 FKAF Clc1cccc(CCN=c2[nH]nc(-c3ccccc3)c3ccccc23)c1 1857593146 YOIHTNQGDZOZKL-UHFFFAOYSA-N 359.860 5.027 0 1 FKAF CC1=C[C@@H](O)[C@]2(C)[C@@H](O)C[C@H]3[C@]4(C)CC[C@@H](C(C)C)C4=CC[C@]3(C)[C@H]2CC1 1857613021 ARODMLJYCSKEHM-IHJGETQQSA-N 372.593 5.499 0 1 FKAF CC=CCCCCCCC[C@@H]1[C@@H]2C=C[C@@H]3[C@H](C(=O)O)C=C[C@@H]4C[C@@H]1[C@H]2[C@@H]43 2356340229 KFLDXHQJVVNZHY-MPPALOIVSA-N 354.534 5.864 0 1 FKAF CSc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3C)n2)cc1 25666879 NAVCBCJWEZCTCE-UHFFFAOYSA-N 368.527 5.330 0 1 FKAF CC(=C/CN1CCOCC1)/C=C/C=C(C)/C=C/[C@@H]1[C@H](C)CCCC1(C)C 25986176 JGEUGBGGYLQOTH-GMXXDYQKSA-N 357.582 5.786 0 1 FKAF COc1ccc2c(c1)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)CCC2 29415229 MBBNGNYSTQOAEW-QHCPKHFHSA-N 371.480 5.021 0 1 FKAF c1cc(OCCCN2CCCCC2)c2c(c1)N(CC1CCCCC1)CCC2 34065917 XAQSMXMNEGGOSW-UHFFFAOYSA-N 370.581 5.274 0 1 FKAF Clc1ccc(CNCC2CCN(CC3CCCCC3)CC2)cc1Cl 45201276 OSSNIGCNMDKBOD-UHFFFAOYSA-N 369.380 5.375 0 1 FKAF C[C@@H](CNc1cc(Oc2cccc3ccccc23)ncn1)c1ccccc1 82068424 GILRQYAVGJOQDD-KRWDZBQOSA-N 355.441 5.638 0 1 FKAF CCCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccc(C)cc2)cs1 82195294 CGQXFQWCWTYYRQ-SFHVURJKSA-N 373.566 5.252 0 1 FKAF Clc1ccc(C2=N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 84742064 PWUNLARUNVGXMG-HSZRJFAPSA-N 369.851 6.422 0 1 FKAF Cc1cc(C)cc(COc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)c1 103189459 JNXRWUGWWNXGJO-UHFFFAOYSA-N 372.390 5.667 0 1 FKAF C[C@H](NC(=O)c1ccc(-c2cccs2)nc1)c1ccc2ccccc2c1 112982537 BQDOLOQZWLYCKR-HNNXBMFYSA-N 358.466 5.454 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3ncc(Br)c(C)c3[nH]2)cc1 586881889 POFDJDNMEDXYCZ-UHFFFAOYSA-N 358.283 5.383 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(F)cc(F)c1C3 586987344 DGEFAZWQAKKRLZ-UHFFFAOYSA-N 371.342 5.001 0 1 FKAF CC/C=C\CCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586992453 WLVNPXSEHDHKMQ-ARJAWSKDSA-N 357.453 5.831 0 1 FKAF Cc1nc(C2CC2)sc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587011804 KQTQJVWUEZRMGC-UHFFFAOYSA-N 357.788 5.544 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 587017048 RIVPBBLNGMHFQC-LLVKDONJSA-N 373.787 5.210 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(C)cc(F)c3[nH]2)c1 587158735 GSMUTPUTHGCXTK-UHFFFAOYSA-N 364.395 5.416 0 1 FKAF Cc1ccc2c(ccc3[nH]c(-c4sccc4-c4ccc(F)cc4)nc32)n1 587164987 HJVKVZOTEJFNKC-UHFFFAOYSA-N 359.429 5.954 0 1 FKAF Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587348687 AMTHDMHLPWIXOM-GMAHTHKFSA-N 362.400 5.114 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3[nH]cc(Cl)c13)CC2=O 587459711 FRUMCKWOLOIYCV-GOSISDBHSA-N 355.821 5.186 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H](c3ccccc3)C1)CC2=O 587485551 VUGZUOVXXQPTKE-MHECFPHRSA-N 364.485 5.797 0 1 FKAF CC[C@]1([C@@H](C)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599378 FRSBZHKHYIBZHY-LYAKXMMSSA-N 374.436 5.306 0 1 FKAF CCC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608994 AWNZHJDYYHVZJY-NQIIRXRSSA-N 366.438 5.111 0 1 FKAF CCC[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587824476 WZUYYOAUAHKFNW-WPKBUWHJSA-N 354.307 5.308 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587952457 QWSPTHBKAXHSBP-NVBFEUDRSA-N 374.834 6.282 0 1 FKAF CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(CCC(=O)O)cc3)ccc21 653728732 YXVUTSFSLVWNLF-UHFFFAOYSA-N 364.485 5.284 0 1 FKAF Cc1nc(N[C@@H]2CCOc3ccccc32)cc(-c2ccc3occ(C)c3c2)n1 653763479 CHSFUOQKBUUBDU-LJQANCHMSA-N 371.440 5.442 0 1 FKAF CC(C)[C@H]1C[C@@]2(c3ccccc31)c1ccsc1CCN2Cc1ccco1 962711678 UOBWCGROTKVTSU-AUSIDOKSSA-N 363.526 5.786 0 1 FKAF Cc1ccc(CC[C@@]2(c3cc(C)ccc3C)NCCc3c(C)ccnc32)cc1 963064612 BDUVQXQHLKEMBV-SANMLTNESA-N 370.540 5.337 0 1 FKAF CC1(C)CCC[C@@]2(CO)[C@H]3CC[C@]4(C)c5cocc5CC[C@H]4[C@@]3(C)CC[C@H]12 2356426918 KGLSSBJCYUTCKF-AUDSRSPDSA-N 370.577 6.115 0 1 FKAF CC(C)(C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]32)C1 2356846215 OLFAUBNLGRKABZ-LITDUXGLSA-N 360.538 5.037 0 1 FKAF Clc1cccc(CNc2ccn3nc(-c4cccc(Cl)c4)cc3n2)c1 61903678 XLBUXNVIOSTFGR-UHFFFAOYSA-N 369.255 5.315 0 3 FKAF COC(=O)c1ccc2nc(C3CCCCC3)c(Cc3ccc(C)cc3)n2c1 72136506 ICBNTPCCVFWBIX-UHFFFAOYSA-N 362.473 5.068 0 3 FKAF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4Cc5[nH]c6ccccc6c5C[C@@]43C)[C@H]1CC[C@H]2O 263591667 XAPHYNIJAGNNNA-GVSCAHRESA-N 363.545 5.486 0 3 FKAF CCCN(CCC)CCc1cc(Cl)ccc1OCCc1ccccc1 13795827 FLEVBJUHJCFHCI-UHFFFAOYSA-N 359.941 5.626 0 1 FKAF Cc1cc2c(c(O)c1C(=O)O)C[C@@H]1[C@](C)(CC[C@H]3C(C)(C)CCC[C@]31C)O2 14440965 NGQPPHRBPAZXBM-ODYPEACGSA-N 372.505 5.335 0 1 FKAF biogenic CCC/C=C/C[C@@H](O)CCCCCCCCCCCCCCCCCO 14722107 JYZDOSWMZPZDMV-AQHNKCFISA-N 368.646 7.328 0 1 FKAF endogenous,in-man CC1(C)C2=CC[C@@H]3[C@@H]4CC[C@H](OC5CC5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O 40368489 MRAKBRVMYBYECZ-DYLYRREFSA-N 358.566 5.494 0 1 FKAF Cc1c(Cl)cccc1Oc1cccn2c(C34CCC(CC3)C4)nnc12 72108058 IDIWWKULEMAKJZ-UHFFFAOYSA-N 353.853 5.315 0 1 FKAF O=C(CCCN1[C@@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2)c1ccc(F)cc1 100753765 CEDSKJUGADVONS-DYESRHJHSA-N 362.448 5.032 0 1 FKAF Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(Cl)cc1)c1nccn1C 103244907 YAWYKJFTXCRSSS-IBGZPJMESA-N 350.853 5.065 0 1 FKAF CC(C)(C)C1=NN(c2ccc(C(F)(F)F)cc2)[C@H](c2ccc(O)cc2)C1 299832916 UPXOKDCKOSAUBE-KRWDZBQOSA-N 362.395 5.765 0 1 FKAF Oc1cccc(CCCCc2nc3cccc(OCc4ccccc4)c3[nH]2)c1 586896790 YGPXBUZVXNJCGG-UHFFFAOYSA-N 372.468 5.413 0 1 FKAF COc1cc(C)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990103 AAXNRSPMSCIPEH-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF CC(C)(C)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587078983 FCRHEGKDFFZWHL-INIZCTEOSA-N 366.896 5.238 0 1 FKAF CCOc1cc(/C=C\c2nc3cc(F)c(F)cc3[nH]2)ccc1OC(F)F 587131224 XJCXHKUHMRFJGQ-XQRVVYSFSA-N 366.314 5.012 0 1 FKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587195788 NFIPFTTXNFSYQM-NSHDSACASA-N 365.424 5.393 0 1 FKAF CCCC[C@H]1Cc2ccccc2[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 587481424 MABJZMACINNDLU-BXKMTCNYSA-N 364.485 5.568 0 1 FKAF CCCOc1c(C)cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1C 587482471 OKHWKXGMPLKUQU-NRFANRHFSA-N 368.473 5.457 0 1 FKAF CCO[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C12CCCCC2 587523939 MIRHFHDBQDCWEV-OFNKIYASSA-N 354.490 5.029 0 1 FKAF CC(C)Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587604783 YLRVCVLWZWLEAV-XUZZJYLKSA-N 374.436 5.294 0 1 FKAF Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2OCc2ccccc2)cc1 587630154 FWIBNRNMHSBRDW-UHFFFAOYSA-N 369.798 6.346 0 1 FKAF CC(C)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587817396 BSOAHVJUGPQBTM-CWTRNNRKSA-N 362.286 5.335 0 1 FKAF CC[C@H](C)[C@@H]1CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587817513 LJSHECPITLIYIR-OFEPTWOUSA-N 354.307 5.164 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3ccccc23)N1 587824880 ZUQRNMYGUCZEEG-YUNKPMOVSA-N 370.265 5.365 0 1 FKAF COc1cc(C)c(OC)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587945216 KXZLLHCHWBINNI-UHFFFAOYSA-N 367.420 5.223 0 1 FKAF Fc1cc2nc(-c3ccc(OC4CCC4)cc3)[nH]c2cc1C(F)(F)F 587950916 GYRSHMCVVPWYFC-UHFFFAOYSA-N 350.315 5.319 0 1 FKAF C/C(=C/c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C1CCCCC1 587969225 WVGZYSQOWQMQIL-SQFISAMPSA-N 373.525 6.823 0 1 FKAF CC1=CC[C@H](C(C)C)c2cc(C)c(OC(=O)c3cccc(Cl)c3)cc21 1772596795 LJVJUKWMDDFAOK-GOSISDBHSA-N 354.877 6.414 0 1 FKAF c1ccc(-c2cc(-c3csc(Nc4ccc5ccccc5n4)n3)on2)cc1 1772607804 KDGVJWZSDMPTRF-UHFFFAOYSA-N 370.437 5.757 0 1 FKAF O=C(O)c1ccccc1Nc1c(Cl)cc(-c2cccs2)cc1Cl 1857597990 FXFPABLTSDNVCE-UHFFFAOYSA-N 364.253 6.164 0 1 FKAF COc1ccc(-c2nnc3ccc(-c4cccc(C(C)C)c4)cn23)c(OC)c1 2382248401 MKZAIILWFRZNKF-UHFFFAOYSA-N 373.456 5.204 0 1 FKAF O=C(c1cc(O)c(-c2cccc(C(F)(F)F)c2)c(O)c1)c1cccs1 2382258931 FOEJCOAANWJVQN-UHFFFAOYSA-N 364.344 5.076 0 1 FKAF CCCCc1c(-c2ccccc2OC)ncn1Cc1ccc(F)cc1F 198627317 UYKOVAKWNUUYBP-UHFFFAOYSA-N 356.416 5.228 0 3 FKAF Clc1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1Cl 8536618 YKUDVEVHRUJXLV-UHFFFAOYSA-N 366.251 6.113 0 1 FKAF C[C@H]1C=C(CCCCCCCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 13358984 NBNKOPMYYYWKOW-ROUUACIJSA-N 362.510 5.411 0 1 FKAF biogenic Cc1c[nH]c2ccc(Nc3ncnc4cc(-c5ccccc5)sc34)cc12 13588166 RDSINGBRTMDIHM-UHFFFAOYSA-N 356.454 5.892 0 1 FKAF Cc1cc2c3c(cc(Cl)c2[nH]1)CCN(C)[C@H]1CCc2ccccc2[C@H]31 13608516 MJXFQOBCXVELQL-FPOVZHCZSA-N 350.893 5.064 0 1 FKAF CC1=CC[C@@H]2[C@H](C1)c1c(O)cc([C@@H](C)[C@@H](C)C3CCCC3)cc1OC2(C)C 26719505 USDMFBBEDJJVQK-SQBLYHGDSA-N 368.561 6.933 0 1 FKAF CO[C@H]1CC(=O)O[C@H](/C=C/c2c(C)cc(C)cc2-c2ccc(F)c(C)c2)C1 29479014 PSZKUPIEYIROBL-LXORQPIJSA-N 368.448 5.152 0 1 FKAF Oc1cccc(C2=Nc3ccccc3S[C@H](c3ccccc3Cl)C2)c1 40975323 YYYOUAUHXOGQNU-NRFANRHFSA-N 365.885 6.404 0 1 FKAF CCN(c1ccc(C(C)C)c(OCC=C(C)C)c1)c1ccc(C(=O)O)cn1 66111584 ZFMKKDMGOUQPSI-UHFFFAOYSA-N 368.477 5.406 0 1 FKAF CCC(C(=O)Nc1c(Cl)cccc1Cl)(C(F)(F)F)C(F)(F)F 68573040 HWHJCIGPRYCWTB-UHFFFAOYSA-N 368.104 5.453 0 1 FKAF biogenic Clc1ccc([C@]2(OCc3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1Cl 101300685 SGWFXQFBBZKSIH-XEMDLRDOSA-N 362.300 5.320 0 1 FKAF CC(C)(C)c1ccc(CSc2nnc(-c3ccc4[nH]cnc4c3)o2)cc1 116895755 BXRKZLFRRQWIHH-UHFFFAOYSA-N 364.474 5.203 0 1 FKAF CCCCN(CCCC)C[C@H](O)c1cc2ccsc2c2ccccc12 169336972 RODAWXPCKCHUOS-NRFANRHFSA-N 355.547 5.990 0 1 FKAF Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc(O)cs2)cc1 169726295 GWPSOYYSFJEVCB-KRWDZBQOSA-N 369.877 5.166 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NC(C)(C)C 231934338 HZJPXXDVTLCBKG-PPDQLEQOSA-N 359.598 7.047 0 1 FKAF O=Cc1ccc(OCc2occc2-c2nc3ccc4c(c3[nH]2)CCCC4)cc1 586900880 NYXGWRYFLXDUGU-UHFFFAOYSA-N 372.424 5.093 0 1 FKAF Cc1c(Br)cc2nc(CCc3cc4ccccc4o3)[nH]c2c1C 586902978 DLXXZZPRVSFTTQ-UHFFFAOYSA-N 369.262 5.474 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586963871 RNAVTONGIQZNQP-KRWDZBQOSA-N 374.509 6.136 0 1 FKAF Nc1ccc(Cl)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985869 LEIHZPKYFPTOFA-UHFFFAOYSA-N 372.811 5.054 0 1 FKAF Cc1ccc2c3c(cc(-c4ncc(Cl)cc4F)nc13)-c1ccccc1C2=O 586995499 LHSFQAMCDFTWPU-UHFFFAOYSA-N 374.802 5.609 0 1 FKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4c(Cl)cccc4[nH]3)o2)c1 587051712 UIHARFDFEPCBSZ-UHFFFAOYSA-N 363.631 6.450 0 1 FKAF Cc1ccc2c3c(c(CC(C)C)c(-c4ccoc4)nc13)-c1ccccc1C2=O 587101253 LJLBXUOVHXOGDC-UHFFFAOYSA-N 367.448 6.213 0 1 FKAF CCn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc21 587105191 RZWWNVQKZPHXAJ-UHFFFAOYSA-N 374.443 6.088 0 1 FKAF Fc1ccc2[nH]c(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c(Cl)c2c1 587175223 STSUFCJUNGGLNN-UHFFFAOYSA-N 355.587 5.206 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c2)c1 587233938 XGZOFXXNNZPSMX-UHFFFAOYSA-N 356.473 5.631 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2ccc(Cl)nc2[nH]1 587240735 JHGZMTPJHMTJSB-UHFFFAOYSA-N 350.809 5.031 0 1 FKAF O=C(/C=C/c1nc2ccc(Oc3ccccc3)cc2[nH]1)Nc1ccccc1 587243110 AOORRUDZWXLKAO-BUHFOSPRSA-N 355.397 5.007 0 1 FKAF Cc1cc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587352731 MBJOLOKICGEQRB-UGKGYDQZSA-N 366.388 5.015 0 1 FKAF COc1cccc(-c2cc(-c3nc(C)c[nH]3)nc3c2oc2ccccc23)c1 587362440 HHVYYXRDZXREJP-UHFFFAOYSA-N 355.397 5.355 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC2(COC2)C3)c1 587365973 PDHUIQGRBYPWTR-UHFFFAOYSA-N 371.436 5.162 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@@H]1c1ccc(Cl)cc1)O2 587380248 ROHUQLVGEHKIEL-XMSQKQJNSA-N 369.892 5.683 0 1 FKAF COc1cc2c3c(c1)OC(c1cccc(C)c1)(c1cccc(C)c1)[C@@H](C2)C3=O 587444740 GNCRIMQDZGBZMF-NRFANRHFSA-N 370.448 5.003 0 1 FKAF O=C1C[C@]2(CCc3cc(Cl)ccc3C2)Oc2c1ccc1c2CCCC1 587501412 OHDCBUGGXLONHF-JOCHJYFZSA-N 352.861 5.112 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccccc3)cc2F)Oc2c1ccc1c2CCCC1 587508661 WSRXSJKCOXFMDC-DEOSSOPVSA-N 372.439 6.078 0 1 FKAF Cc1oc(-c2ccccc2)nc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587515279 MZKTUCATFZRSNY-XMMPIXPASA-N 373.452 5.409 0 1 FKAF C[C@]1(CCC2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602844 LLRKQIWLOQKESB-NZQKXSOJSA-N 366.457 5.473 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1-c1ccc(Cl)cc1Br 587623816 QHKYDOGYUNMYBX-UHFFFAOYSA-N 369.089 6.521 0 1 FKAF CC1(C)COC(CCc2c(-c3ccccc3F)[nH]c3cccc(F)c23)OC1 587634856 UTDNTTBRIHEXOK-UHFFFAOYSA-N 371.427 5.445 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(-n3nc(C(F)(F)F)cc3C3CC3)c2c1 587641467 JDLCFPHANYSFTB-NSHDSACASA-N 361.411 6.072 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(-c4ccccc4F)cc3)c(C)c2c1 587643978 ZXVGMVJRJSJURJ-INIZCTEOSA-N 357.472 7.463 0 1 FKAF Fc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1F 587784907 VYNKBYQNIUREAD-MDWZMJQESA-N 362.379 5.591 0 1 FKAF CCCC1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587816918 FWTVVRLYWUROFT-ZVLZOBCMSA-N 354.307 5.308 0 1 FKAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587936853 MJPYWTZZFYMXGF-OYHNWAKOSA-N 374.440 5.201 0 1 FKAF O=C(c1ccc(O)cc1)c1sc2cc(O)ccc2c1-c1ccc(F)cc1 653782496 OFXGEPSXIVRDOT-UHFFFAOYSA-N 364.397 5.350 0 1 FKAF Clc1ccc2[nH]nc([C@H]3c4ccsc4CCN3Cc3ccco3)c2c1 962712818 WCDXVELQQGIZRG-LJQANCHMSA-N 369.877 5.019 0 1 FKAF CCc1ccc(-c2ccc([C@H]3N[C@H](CC)Cc4c3[nH]c3ccccc43)o2)cc1 962946686 ACPHNEWDRZFNQZ-IQGLISFBSA-N 370.496 6.004 0 1 FKAF CCCCCCc1ccc([C@@H]2c3ccccc3C[C@H](C)N2CCC)s1 963226803 HRQZIYYEOQJLEM-MBSDFSHPSA-N 355.591 6.617 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)c3c(n2)-c2cc(O)ccc2C3)c1 1857612671 SQYHORIDWGSFEV-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF O=C(c1cc2ccccc2[nH]1)c1cc2cc(OCc3ccccc3)ccc2[nH]1 13472539 XOXXUQMBOKKTMI-UHFFFAOYSA-N 366.420 5.459 0 1 FKAF CC(C)CCCCCCCC[C@H](O)CC(=O)N1CCC[C@H]1c1cccnc1 14684440 SHZBFDWXFJTSEI-VXKWHMMOSA-N 374.569 5.273 0 1 FKAF biogenic CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cc(C)c(O)c(C)c1 26652050 ADKPCKOBVSKNNX-UHFFFAOYSA-N 364.445 5.292 0 1 FKAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1 26666317 SMCXBKOIWAKVBJ-UHFFFAOYSA-N 366.870 5.130 0 1 FKAF CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2C 28135793 RYIOXZWYRPKVLU-UHFFFAOYSA-N 361.551 5.846 0 1 FKAF COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3Cl)O[C@@H]2C)c(OC)c1 28567083 CNLAPZPTMSMSFU-DQNAHFDYSA-N 367.272 5.644 0 1 FKAF Cc1cc(-c2cccs2)c2ncc(CSCCc3ccccc3)n2c1 28877366 LCGOHNSDAHPORP-UHFFFAOYSA-N 364.539 5.847 0 1 FKAF O=C(CC=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1 29544499 WMIHUPZAPHULNK-UHFFFAOYSA-N 370.496 5.043 0 1 FKAF Clc1ccc(Cn2cncc2CNc2cccc(-c3ccccc3)c2)cc1 40975762 LACWHBSXEQJBLS-UHFFFAOYSA-N 373.887 5.864 0 1 FKAF Cc1cc(/C=C/c2cccc(C(=O)Sc3ccccc3)c2)cc(C)c1O 58538392 FXFWECMBRQGCCF-VAWYXSNFSA-N 360.478 6.112 0 1 FKAF O[C@H](CSc1ccccc1F)Cn1c2ccccc2c2ccccc21 84705070 JJTPYFCWWWQZEP-HNNXBMFYSA-N 351.446 5.087 0 1 FKAF O[C@](c1cccnc1)(c1cc2ccccc2o1)c1ccc(Cl)cc1Cl 87723152 KCNBYPZCHTYFQF-FQEVSTJZSA-N 370.235 5.419 0 1 FKAF COc1cc2c(cc1[C@@H](C)NCCCc1ccccc1)CCC(C)(C)O2 96932117 UVSWSOVZCNJYRC-QGZVFWFLSA-N 353.506 5.082 0 1 FKAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(-c2cccs2)cc1 113785087 HVFLMSZNLZOPNZ-UHFFFAOYSA-N 357.818 5.019 0 1 FKAF COc1ncc(Nc2ccc(C3CC3)cc2C(=O)O)cc1-c1ccccc1 113898510 BAYDZWCMOWRUPQ-UHFFFAOYSA-N 360.413 5.076 0 1 FKAF CC1=CC[C@@H]2[C@](C)(CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4[C@@H](O)C[C@@]23C)[C@@H]1CO 142190770 PYBHYBGVRYAEGF-KSQCSBJDSA-N 374.609 5.581 0 1 FKAF COc1ccc(C(=O)c2nc3ccccc3cc2-c2ccc(OC)cc2)cc1 169312345 SPSOPTGYXPMDKI-UHFFFAOYSA-N 369.420 5.150 0 1 FKAF CCn1c2c(c3ccccc31)CN(C(=O)c1ccc(C)c3ccccc13)CC2 205443224 JGNDICDZEWTBHT-UHFFFAOYSA-N 368.480 5.321 0 1 FKAF O=C1[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@H]2[C@H]3CC[C@@H](C3)[C@@]12N1CCCC1 299849683 RGRHFPAVKJNGTG-DGFFUPKMSA-N 371.524 5.017 0 1 FKAF Cc1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1Br 586886228 OPWWKEUWDCWHBP-IFXJQAMLSA-N 353.263 5.005 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc(Cl)c4F)nc13)-c1ccccc1C2=O 586994969 GTKZUOAMOPMZPW-UHFFFAOYSA-N 373.814 6.214 0 1 FKAF Cc1ccc(-c2nc(-c3nc4cc(Cl)cc(C)c4[nH]3)c(C)s2)cc1 587013430 OJROAPUOBOFQKU-UHFFFAOYSA-N 353.878 5.932 0 1 FKAF Clc1cc2nc(-c3ccc(-c4nccs4)s3)[nH]c2cc1Cl 587023821 QCFBMZUWXFSGLL-UHFFFAOYSA-N 352.271 5.722 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(Cl)nc1C3 587103409 HJRCDBMFFBUNES-UHFFFAOYSA-N 354.796 5.066 0 1 FKAF Cc1cnc(Cl)c2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc12 587163346 HYQKMBODFHVDRP-NTEUORMPSA-N 369.852 5.709 0 1 FKAF O=C(Nc1ccccc1-c1cc2c3c(cccc3n1)CC2)OCC(F)(F)F 587210622 SOHURDMAUCIAIC-UHFFFAOYSA-N 372.346 5.111 0 1 FKAF CCOC(=O)c1ccc2nc(-c3cccc(-c4cccc(NC)c4)c3)[nH]c2c1 587233582 SXGMQFNYVLLTIX-UHFFFAOYSA-N 371.440 5.115 0 1 FKAF COc1cccc(-c2cc([C@H]3CCCC3=O)nc3c2oc2ccccc23)c1 587367459 RBINLBBUHUDDEE-MRXNPFEDSA-N 357.409 5.493 0 1 FKAF COc1ccc(Cl)cc1[C@@]1(CC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587375941 AZLKITDTPXCCFF-OAQYLSRUSA-N 373.880 5.146 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(-n3cccc3)c1)CC2=O 587471275 PLRKSXCVHZDJIR-QHCPKHFHSA-N 361.441 5.016 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)c(C)c(C)c(C)c1C)CC2=O 587486192 XBPWQWGUUQITPS-NRFANRHFSA-N 352.474 5.593 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(SC(C)C)cc1)CC2=O 587489653 CVXVXQDWNYOOIX-HXUWFJFHSA-N 356.487 5.552 0 1 FKAF O=C1C[C@]2(CCC[C@@H]2CCc2ccccc2)Oc2c1ccc1c2CCCC1 587521935 DRHAZNSLJKWOLX-NLFFAJNJSA-N 360.497 5.702 0 1 FKAF CCCC[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587704966 KDZMKKKLAPNJPJ-OTYXRUKQSA-N 368.212 5.070 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2Cl)N1 587728427 SCFQHCAZJHVXHR-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF Clc1nccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587784368 RCHPEIWCJQTLJJ-FLIBITNWSA-N 361.832 5.361 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(C)CCCCC2)N1 587815659 OMCIUSLFKNCIEW-KPZWWZAWSA-N 354.307 5.308 0 1 FKAF CC1=CCC[C@H](C)[C@@H]1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587818466 DMHKDLVYBDVOHU-WGUZPVSDSA-N 352.291 5.156 0 1 FKAF COc1ccc(CCCc2nc3cc(Cl)cc(Cl)c3[nH]2)c(OC)c1 587929600 YHAJWPPJOIDZIY-UHFFFAOYSA-N 365.260 5.062 0 1 FKAF Fc1cc(Br)cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587952015 WBVDKRSBTGAVBS-UHFFFAOYSA-N 361.214 5.063 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1ccc(C(F)(F)F)c(Cl)c1 963100789 JMDQZOWCKAIHHJ-KDOFPFPSSA-N 369.789 5.608 0 1 FKAF CCCN1[C@@H](c2cccc(-c3ccc(C)cc3)c2)c2ccccc2C[C@H]1C 963228241 LEOQMOVEHWNKHI-IBVKSMDESA-N 355.525 6.408 0 1 FKAF CCCc1nc2ccccc2n1Cc1ccc(-c2ccc(C(=O)O)cc2)cc1 1772573424 HENIXOFDIHJWSF-UHFFFAOYSA-N 370.452 5.402 0 1 FKAF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C1=CC[C@@H](C)C[C@@H]12 2356332256 BKRLVBUDBPQLLV-QAPCUYQASA-N 356.506 5.956 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C=CCC[C@]4(C)[C@H]3C=C[C@@]21C 2356662799 HAJOVCDDHUOYQO-SUHWFYNOSA-N 354.534 6.008 0 1 FKAF CN1CCCC[C@@H]1CCN1c2ccccc2Sc2cc(Cl)ccc21 2382260061 ICXCHPHGCIPSBE-MRXNPFEDSA-N 358.938 5.817 0 1 FKAF Clc1ccc2c(c1)[C@H]1[C@@H](CO2)C(c2ccccc2)=NN1c1ccccc1 5823918 USZXMYNZUVAVQH-UGKGYDQZSA-N 360.844 5.314 0 1 FKAF Clc1ccc(-c2cc([C@@H]3CCCCN3Cc3ccccc3)n[nH]2)cc1 13763848 HZAQPOKTYPPOTH-NRFANRHFSA-N 351.881 5.457 0 1 FKAF COc1cc(C)cc2c1[nH]c1c3c(ccc12)O[C@@](C)(CCC=C(C)C)C=C3 14585288 KCBYFAZPOQMQLQ-DEOSSOPVSA-N 361.485 6.549 0 1 FKAF biogenic CCCCCCc1ccc(CC/C=C\[C@@H]2CSC([C@@H]3C[C@@H]3C)=N2)cc1 26578218 ZNJDFVRFRGYJEW-AUXHNBDHSA-N 355.591 6.468 0 1 FKAF CC(C)(CCCCCc1ccc(CCCc2ccccc2)s1)C(=O)O 26935873 CNJIOUGCYDIJDS-UHFFFAOYSA-N 358.547 6.137 0 1 FKAF Cc1ccc(C(=O)Nc2ccc(-c3ncccc3C(F)(F)F)cc2)cc1 38156656 GHGDKTGPLQLVJX-UHFFFAOYSA-N 356.347 5.328 0 1 FKAF CCCO[C@@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cnc(C)c1 45367043 NPXXXZGTBMEGTC-ZWKOTPCHSA-N 366.958 6.043 0 1 FKAF Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(F)cc2)c(-c2ccccc2)[nH]1 49034711 CGZGKFAPGLJOJV-UHFFFAOYSA-N 367.427 6.340 0 1 FKAF CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(C)(C)C)ccc1N[C@H]2c1cccs1 49050384 USUYYJVVBRVSEY-XTCWOQMQSA-N 370.562 5.268 0 1 FKAF CC(C)(C/C=C\c1ccc(/C=C/CC(C)(C)CC(=O)O)cc1)CC(=O)O 95607651 MDPOYQZCXPBZJP-CGXWXWIYSA-N 358.478 5.495 0 1 FKAF C/C1=C/C[C@@H](OC(=O)c2ccc(F)cc2)/C(C)=C/[C@@H](O)C(C)(C)CCC1 169692870 MSRWAJRVXIEGII-WVWUUFBGSA-N 360.469 5.205 0 1 FKAF O=C(NCCCCCCCCn1ccc2ccccc21)Oc1ccccc1 473129610 HUCXRDNIIGIBSJ-UHFFFAOYSA-N 364.489 5.771 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(O)nncc4[nH]3)cc2)CC1 586881950 YACWIQPSUKBMQU-SHTZXODSSA-N 350.466 5.190 0 1 FKAF Cc1cnc(Cl)c2[nH]c(-c3cc(Br)ccc3Cl)nc12 586979772 AQNVFEGIXWBEHF-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF Cc1cc(Cl)cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587050668 QNDNTPLQQVVISO-WDEREUQCSA-N 351.664 6.103 0 1 FKAF COc1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063493 OKEKGQSQJFWLEP-UHFFFAOYSA-N 364.832 5.471 0 1 FKAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccc1F 587104087 RTYZKVKCGXKUIO-UHFFFAOYSA-N 367.379 5.011 0 1 FKAF C[C@@H](c1ccc(Cl)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104943 ZFCKWLLFOWIQMY-AWEZNQCLSA-N 369.851 6.251 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccccc3-n3ccnc3)nc3cccc1c23 587105086 NRLZTVFMJHLWIW-UHFFFAOYSA-N 373.415 5.299 0 1 FKAF COc1ccc(Cc2c(C)nc3cccc4c3c2-c2ccccc2C4=O)cc1 587107143 OXTUXPAOFSPQKG-UHFFFAOYSA-N 365.432 5.354 0 1 FKAF Nc1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c2ccccc2c1 587252280 VJDNGXGNCWWXFK-UHFFFAOYSA-N 367.477 6.117 0 1 FKAF C[C@@H]1CCC[C@@H](C)C12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349758 GWCAFXWPKFWWAG-ARGWCVDVSA-N 354.421 5.085 0 1 FKAF COc1cccc(-c2cc(-c3c[nH]nc3C)nc3c2oc2ccccc23)c1 587362892 MOLVHTYNSUEGRM-UHFFFAOYSA-N 355.397 5.355 0 1 FKAF CCOc1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587520641 AAGUWXKMWXHGGH-OAQYLSRUSA-N 350.458 5.287 0 1 FKAF CC(C)CC[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600267 NMGQYGPFWBAFLQ-XXBNENTESA-N 368.473 5.575 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(F)ccc3F)c(C(F)(F)F)c2c1 587643038 YKQLXPHXTHXPFN-SNVBAGLBSA-N 353.334 6.645 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C)c2ccc(F)cc2)N1 587730396 FSCFVKURWDLTCW-YRUZYCQGSA-N 366.249 5.106 0 1 FKAF Cc1ccc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587815929 RMBAPCGSNXLJAS-ORAYPTAESA-N 362.286 5.003 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCC3(CC2)CC3)N1 587823650 QTSDYKVIGGYQJF-APPDUMDISA-N 352.291 5.134 0 1 FKAF Fc1ccc(F)c(-c2csc(-c3ccc(C(F)(F)F)c(F)c3)n2)c1 587921716 UIKARUFTUZNTOF-UHFFFAOYSA-N 359.294 5.913 0 1 FKAF CSc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cc1 587926475 ZAHSJMRYPLKPBO-UHFFFAOYSA-N 365.445 6.142 0 1 FKAF COc1cccc(C2(c3nc4c(Cl)cnc(Cl)c4[nH]3)CCCC2)c1 587932033 UTUXPUDALMOLRW-UHFFFAOYSA-N 362.260 5.133 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 587949875 DUPJLFFOLGCGRI-UHFFFAOYSA-N 368.374 5.206 0 1 FKAF Fc1cnc(Cl)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc12 587955402 ISYNQCXDFSGXAM-HNNXBMFYSA-N 351.812 5.125 0 1 FKAF Oc1cccc(-c2cc(-c3ccsc3)cc(-c3ccccc3Cl)n2)c1 653735705 YUNURCFQNDMJOX-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF Cc1nc(N[C@@H](C)c2ccccc2C)cc(-c2ccc3occ(C)c3c2)n1 653764980 LBZCWJZIPAXUCE-INIZCTEOSA-N 357.457 5.988 0 1 FKAF FC(F)(F)c1cc(-c2cncnc2-c2cccs2)cc(C(F)(F)F)c1 653914368 JXZCVWARNZDJBH-UHFFFAOYSA-N 374.309 5.910 0 1 FKAF CC(C)(C)C[C@@]1(c2ccc(F)cc2)NCCc2cccc(-c3ccccc3)c21 962674786 YSJAXRJKIAOVPT-SANMLTNESA-N 373.515 6.318 0 1 FKAF C[C@]1(C2(c3ccccc3)CCCC2)NCCc2c(Cl)cc(Cl)cc21 963111671 RLIZYAYTPKYVOB-FQEVSTJZSA-N 360.328 5.866 0 1 FKAF CC(C)CC(=O)Nc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1 1772636736 XCVNYSXKVSEXSK-UHFFFAOYSA-N 365.864 5.449 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356453884 PISAKMAGVQHRRZ-IVDFQBHKSA-N 370.621 6.775 0 1 FKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCOC(CO)CO 2356649799 ZPAKANBJNJVZNN-BDTNDASRSA-N 372.634 5.822 0 1 FKAF O=C(Nc1ccc(Cl)cc1)O[C@H]1CCC12CCC(c1ccccc1)CC2 96019221 NNFYMVZYXLSZHX-DHHCDUQHSA-N 369.892 6.395 0 3 FKAF Cc1ccccc1Nc1nc(N(C)c2ccccc2)c2cc(O)ccc2n1 584804 FPCVQBPBPHHUEX-UHFFFAOYSA-N 356.429 5.155 0 1 FKAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(O)C(F)=C(F)F 17328472 AWUGBSODAQALNP-IJERAIBMSA-N 366.423 5.360 0 1 FKAF biogenic CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1[C@H]3C 26654826 IBWSBFRDGVOTMF-GFCCVEGCSA-N 354.291 6.189 0 1 FKAF Clc1ccc(C[C@H](Cn2ccnc2)c2c(Cl)cccc2Cl)cc1 33493869 QNKIOFAUJQWXMI-CQSZACIVSA-N 365.691 5.870 0 1 FKAF CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2[C@H](C)CS1 33825910 YHLYCRRAQSELEI-ARFHVFGLSA-N 374.590 6.977 0 1 FKAF O=C(O)c1ccc2cc(-c3ccc(Oc4ccc(Cl)cc4)cc3)[nH]c2c1 36179314 VJRMJLPRFKLYTE-UHFFFAOYSA-N 363.800 5.979 0 1 FKAF Cc1cc(-c2ccc3nc([C@@H]4COc5ccccc5C4)sc3c2)ccn1 49033532 FYXCDRPEXQWYKJ-SFHVURJKSA-N 358.466 5.385 0 1 FKAF CC(C)=CCN1CC[C@@]2(CC=C(C)C)c3ccccc3N(CC=C(C)C)[C@H]12 195325882 QXNSFPSGHIXUGR-DQEYMECFSA-N 364.577 6.065 0 1 FKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 586885310 AVLLFBTXNJLZNQ-QLJPJBMISA-N 368.786 5.381 0 1 FKAF O=C1c2ccccc2-c2cc(Cc3ccccc3Cl)nc3ccc(O)c1c23 586985782 JYVZNFCAYWINLO-UHFFFAOYSA-N 371.823 5.396 0 1 FKAF Cc1cc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2cc1F 586997237 VPNRFYJHLMWJCF-UHFFFAOYSA-N 363.230 5.087 0 1 FKAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc4ccccc4cc3[nH]2)s1 587023360 OMRPIFFUKFVVRV-UHFFFAOYSA-N 366.446 5.187 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc12 587031474 RYCVTASZKWHKHA-ZDUSSCGKSA-N 361.514 6.139 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccnc(Cl)c2[nH]1 587073334 BVFFCGURFILDHL-UHFFFAOYSA-N 354.240 5.907 0 1 FKAF COc1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cc1Cl 587073663 JCCVVMPZTPEGQG-UHFFFAOYSA-N 370.239 5.607 0 1 FKAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)n1 587079049 FWKLSMDSHNAGTJ-QMMMGPOBSA-N 374.819 5.663 0 1 FKAF FC(F)(F)[C@H]1C[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587093238 KNWDWNFOYVULQY-QWRGUYRKSA-N 359.376 5.505 0 1 FKAF FC(F)(F)c1ccc(-c2nc3cccc(Cl)c3[nH]2)c(C(F)(F)F)c1 587094541 BGXKGRQGTOAFJF-UHFFFAOYSA-N 364.676 5.921 0 1 FKAF COc1cccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587123670 FWDOJPYBXGRSTG-YFHOEESVSA-N 350.365 5.354 0 1 FKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc4ccccc4cc3[nH]2)cc1 587158913 SLWCSYRHBHWTSA-UHFFFAOYSA-N 366.395 6.002 0 1 FKAF Cc1c(-c2ccc(C(=O)O)cc2)nc2cccc3c2c1-c1ccccc1C3=O 587208001 ZWDGWOUMPWDNCB-UHFFFAOYSA-N 365.388 5.120 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OC(C)(C)C)CC2=O 587487585 WMEDEOOEDADJBQ-FQEVSTJZSA-N 354.446 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3nccs3)c1)CC2=O 587498059 YJMIXDCFJPXQCH-LJQANCHMSA-N 365.454 5.175 0 1 FKAF CCCC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587507263 VJICMVFTYUYZSO-QHCPKHFHSA-N 352.449 5.755 0 1 FKAF Cc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 587529349 ADOGGXYBBHFWMD-HSZRJFAPSA-N 358.437 5.840 0 1 FKAF Cc1ccc2c(c1C)OCCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587535793 NYIIUWJABQOQPU-DEOSSOPVSA-N 362.469 5.216 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccn3)c(-c3ccc(Cl)cc3)c2c1 587639865 FAXPWBKHPRDEDE-OAHLLOKOSA-N 360.888 7.064 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCC(C)(C)C2)N1 587819189 HGSBZKKPJOWTHR-QFSBIZTOSA-N 354.307 5.380 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587951895 JOUXXVZLMOEVTH-GDLVEWKHSA-N 358.379 5.767 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2Cl)n1 653721783 XOBBYMZRYNGUQP-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF C1=CCCNCCCNC[C@@H]2[C@H](C=CCCCCC1)C=C[C@@H]1CCCC[C@@H]21 1857627345 YMEPYIIXGBBSMO-ZYQDXHPFSA-N 370.625 5.631 0 1 FKAF CC(=CCC[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C)CC[C@@H]3C(C)=CC[C@@H]12)C(=O)O 2356523439 RLOJDPOJHFERLF-ZYHPXPIESA-N 370.577 6.933 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356583100 JLMUUJZJXDLYNO-MGOGBOLESA-N 368.605 6.695 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@]4(C)c5cc(O)ccc5C[C@H]4[C@@]3(C)CC[C@H]12 2356750799 FUFDFVFIOVENBX-WLQIYCTRSA-N 366.589 6.865 0 1 FKAF Cc1ccc(NC(=O)CCC2CCCCC2)cc1-c1nc2ccccc2[nH]1 13757517 LMAPJURKCARGLM-UHFFFAOYSA-N 361.489 5.837 0 1 FKAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(C(C)=O)=C(C)C[C@H]32)C1 16032893 PRWWYYCTGGYLJU-BKYUPXSNSA-N 372.549 5.476 0 1 FKAF biogenic Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCc2ccccn2)c1 26019499 NXIAWTVLJBAKEC-UHFFFAOYSA-N 355.485 5.179 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)C1 33825579 ZTUCCRORYZZSRU-ULQDDVLXSA-N 356.550 7.067 0 1 FKAF CCCCCc1c2c(c(C)c3c1Oc1cc(OC)ccc1O3)C(=O)OC2 35090911 GKUDDYWGOXVUJI-UHFFFAOYSA-N 354.402 5.305 0 1 FKAF CCN(C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 36241992 PQPQJCKYWXRQJD-DWLYSLLYSA-N 357.538 5.695 0 1 FKAF Cc1cccc(C)c1CN1CCC2(CC1)O[C@H](CCCF)c1ccccc12 45320324 OSMJKVMHONOYHA-HSZRJFAPSA-N 367.508 5.616 0 1 FKAF CC(C)c1ccc(-c2cc(NC3CCC(C(C)(C)C)CC3)ncn2)cc1 82162237 YGAPJPGAQDAFQU-UHFFFAOYSA-N 351.538 6.284 0 1 FKAF CCCc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1C[C@@H](C)CC 82185236 KUCGREDZGCCDKV-AWEZNQCLSA-N 371.916 5.090 0 1 FKAF N=C1Sc2cc(-c3cccc(-c4ccccc4)c3)ccc2C2=NCCCN12 95574308 NEIBHJLNWVIDSW-UHFFFAOYSA-N 369.493 5.513 0 1 FKAF COc1cc(Sc2c(C3CCC3)[nH]c3ccccc23)cc(OC)c1OC 95597233 IKSLDRLTOXLNAB-UHFFFAOYSA-N 369.486 5.612 0 1 FKAF Fc1ccc([C@@]2(CCNCc3ccccc3)CCOC3(CCCC3)C2)cc1 96940336 NBXSEADGQTYSNU-QHCPKHFHSA-N 367.508 5.367 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)C[C@@]43C)[C@@H]1CC=C2c1cncc(F)c1 169267991 ODFCIEVQPDCQMI-CUJIWNPESA-N 355.497 5.228 0 1 FKAF CCCN(CCC)c1ncnc(Nc2c(C)cc(C)cc2C)c1SCC 169310340 GFROMLMDJTUTRC-UHFFFAOYSA-N 372.582 5.884 0 1 FKAF Cc1ccc(C2=Cc3ccccc3[C@@H]3N(C)C(=O)c4ccccc4N23)cc1 198949239 QLUFFPZGOHKVCU-HSZRJFAPSA-N 352.437 5.098 0 1 FKAF CCCO[C@]1(c2ccc(-c3ccccc3)cc2)CN(C)[C@H]2CCCC[C@H]2O1 299810570 IZIGKCAJJSJZKU-RBZQAINGSA-N 365.517 5.206 0 1 FKAF CC(C)(C)C(=O)[C@@H](Cc1ccc(CCc2ccccc2)cc1)n1ccnc1 299833632 ZAAYEEKCTMSQBP-JOCHJYFZSA-N 360.501 5.067 0 1 FKAF Cc1cc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2cc1Br 587034106 OYOMVEQKBYPKGO-SECBINFHSA-N 361.308 5.487 0 1 FKAF FC(F)(F)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587049077 KVEATLBSKVHYBL-UWVGGRQHSA-N 371.189 6.160 0 1 FKAF Cc1c(F)ccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587071984 RLJSTPMPOUNSMQ-UHFFFAOYSA-N 372.230 6.046 0 1 FKAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cccc(Cl)c3[nH]2)c1 587238742 NPZSWDDCINUFQB-UHFFFAOYSA-N 362.864 5.826 0 1 FKAF COc1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2cc1Cl 587241504 DUAMWSXOLMRVCX-UHFFFAOYSA-N 365.820 5.341 0 1 FKAF CCCCCCc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 587367705 SUHRFIALHPSUAA-UHFFFAOYSA-N 359.469 6.779 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)cc1Cl)CC2=O 587462595 PHEZKLCFKXLVHX-QGZVFWFLSA-N 351.229 5.358 0 1 FKAF CCCC[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501405 OFGRAYJBHJINCV-HSZRJFAPSA-N 368.904 6.270 0 1 FKAF O=C1C[C@H](c2ccccc2Oc2ccccc2)Oc2c1ccc1c2CCCC1 587520724 BLYQMZUUKNFWGI-XMMPIXPASA-N 370.448 6.064 0 1 FKAF O=C1C[C@@](c2ccccc2)([C@@H]2C[C@@H]3C=C[C@H]2C3)Oc2c1ccc1c2CCCC1 587522584 FURCJCRVRVBGBK-ZOFLEUFXSA-N 370.492 5.638 0 1 FKAF O=C1C[C@H](c2cc3nccc(Cl)c3s2)Oc2c1ccc1c2CCCC1 587538109 NMLJDYQJHIILAT-QGZVFWFLSA-N 369.873 5.535 0 1 FKAF CC(C)(C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598508 BHPDWBNWYMHGCL-GBXCKJPGSA-N 374.436 5.295 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3cn(CC)nc3C)c2c1 587642395 NGYMYCQHIMOYKW-LLVKDONJSA-N 359.420 5.375 0 1 FKAF CC(C)[C@H]1CCC[C@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587819252 UUBRZRVRXCIPFV-BIENJYKASA-N 368.334 5.554 0 1 FKAF Cc1cc(C)cc(C[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587820738 QMOWKOYHDLWXSV-ORAYPTAESA-N 362.286 5.023 0 1 FKAF CCCC/C=C/C=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820982 SACRZIAMGJHMFR-CUVSQSSCSA-N 352.291 5.466 0 1 FKAF CCCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587847909 MSBVEUOTXCLHHJ-QGHHPUGFSA-N 368.315 5.226 0 1 FKAF Fc1ccc(F)c(-c2csc(-c3ccc(OC(F)(F)F)cc3)n2)c1 587921515 AYBAKQARDBPDBF-UHFFFAOYSA-N 357.303 5.654 0 1 FKAF COc1ccc(C2(c3nc4ccc5ncccc5c4[nH]3)CC3(CCC3)C2)cc1 587935494 MLTOVQQWMOUFLY-UHFFFAOYSA-N 369.468 5.370 0 1 FKAF c1ccc(COc2cccc3[nH]c(-c4ccc(OC5CCC5)cc4)nc23)cc1 587951877 UVGMBNOAZAZIPH-UHFFFAOYSA-N 370.452 5.740 0 1 FKAF CC[C@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 653700524 UAAWWMDUGOTOMW-OAHLLOKOSA-N 370.909 5.210 0 1 FKAF Cc1ccccc1[C@@]1(c2ccc(C(C)(C)C)cc2)NCCc2ccc(O)cc21 963341646 OGHZQNWDBINFJR-AREMUKBSSA-N 371.524 5.436 0 1 FKAF C[C@H](CC(=O)O)c1ccc(OCc2ccccc2SC(F)(F)F)cc1 1772636893 IVSUIVNGPDHWEH-GFCCVEGCSA-N 370.392 5.456 0 1 FKAF CC1=CCOc2ccc3c(c2)OC(=O)[C@@H]2[C@H]3[C@@H](CCC(C)=CCC1)C2(C)C 1857632481 YMOYOBVTCMAAET-FCEUIQTBSA-N 366.501 5.807 0 1 FKAF CC(=CCC[C@H](C)[C@@H]1CC[C@]2(C)CC=C(C)CCC=C(C)[C@@H](O)C[C@@H]12)CO 2356649108 ZWOMTRLSJCLHBD-NPJMLQJUSA-N 374.609 6.201 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](CO)CC[C@]4(C)[C@H]3CC[C@]12C 2356678107 SQZDQHJQQVBLCS-SIRPZGQQSA-N 372.637 6.712 0 1 FKAF C[C@]12CC[C@H](OCc3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@H]12 2356680900 XVAQUNQDQASSEH-USDKZSOFSA-N 366.589 7.005 0 1 FKAF CC(=O)OC=C1C[C@H](C)[C@](O)(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356773548 BYUMYSPTNUHTMR-HZUHNNHMSA-N 374.521 5.263 0 1 FKAF Cc1cc(-c2ccc(Cl)cc2Cl)c2ncc(OC(F)F)nc2c1 2382225091 RLGOYYDNXLYYNE-UHFFFAOYSA-N 355.171 5.513 0 1 FKAF COc1ccc(-c2cc(OC)c3c4c(c(OC)ccc24)CC[C@@H]3OC)cc1 13480695 LHRSSYXWCZVPJH-FQEVSTJZSA-N 364.441 5.166 0 1 FKAF biogenic COc1ccc(/C(=C(\c2ccccc2)C(F)(F)F)c2ccccc2)cc1 28000146 RBMOGTSNZBPZRL-QZQOTICOSA-N 354.371 6.217 0 1 FKAF CCCn1c(-c2ccccc2)c(C2=CC[C@@H](C(=O)O)CC2)c2ccccc21 29397085 DFXXFWNLQFOPCR-LJQANCHMSA-N 359.469 5.986 0 1 FKAF CCCc1ccc(OC)c2cc(-c3ccc(-c4ccc(C(=O)O)o4)[nH]3)oc12 29464076 NLMJCPUJIPNZHZ-UHFFFAOYSA-N 365.385 5.347 0 1 FKAF COc1cccc2c1CCC[C@@H]2CCCN1CCC(C2CCCCC2)CC1 45317068 MRPKDJVATMDGCK-JOCHJYFZSA-N 369.593 6.188 0 1 FKAF CC(=O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]12C 66103913 GRVOAMBHUWXGTO-NICZXZAASA-N 360.582 5.621 0 1 FKAF in-vitro O=C1Oc2ccc3ccccc3c2C[C@@H]1C(=O)c1cc2ccccc2s1 72172196 ZWMQUUGJBUIOPI-QGZVFWFLSA-N 358.418 5.015 0 1 FKAF C/C(=C/CO)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 238779931 IRJHFRKRPYTYCQ-JSCKMKDKSA-N 366.674 8.171 0 1 FKAF Cc1ccc(CSCCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 586970190 IBQAZDSYUVDAPJ-UHFFFAOYSA-N 368.399 5.505 0 1 FKAF CCc1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc1Br 586976476 FTSOQEPBQBGUAB-UHFFFAOYSA-N 353.622 5.347 0 1 FKAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1F 586986877 QEVOSPWJGPYUQO-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(F)cc3F)nc3ccc(O)c1c23 586989147 YUXUVWFDUXXTBG-UHFFFAOYSA-N 359.331 5.097 0 1 FKAF CCCCCC1=C(C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587100378 IIEQEICWXOIAHR-UHFFFAOYSA-N 367.492 6.665 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H](C3CC3)C2)[C@@H]1c1ccc(F)cc1 587349586 GGOHYOJSIHHOQR-YTJPUZGESA-N 366.432 5.229 0 1 FKAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1O 587496797 FSTVVQNLCOJWJR-GOSISDBHSA-N 372.848 5.030 0 1 FKAF Cc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587527366 UHVHYHLKSAPBOD-RUZDIDTESA-N 368.476 6.247 0 1 FKAF CCc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccc(C)cc12 587529811 DVIIAVDMMNBCKN-VWLOTQADSA-N 374.480 6.063 0 1 FKAF Cc1c(-c2ccc(Cl)c(Br)c2)[nH]c2c(C)cc(Cl)cc12 587623744 OEUGAKVLSHPZGH-UHFFFAOYSA-N 369.089 6.521 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3cccc(Cl)c3)[nH]c12 587624276 JACAOOQOGVRQOK-UHFFFAOYSA-N 372.173 6.195 0 1 FKAF Fc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2ccc(Cl)cc2)cc1 587631025 VAGXOCQVQKIJJZ-UHFFFAOYSA-N 374.217 7.087 0 1 FKAF Cc1cc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2[nH]1 587801959 IZYVJDRQQFVLGJ-JEOXALJRSA-N 373.269 5.002 0 1 FKAF C[C@H]1CC(C)(C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587822293 JRYOTMGKHNZWKB-VNBZBWLYSA-N 354.307 5.164 0 1 FKAF Cc1oc2ccccc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587827578 KTCVWSHGXBBRRO-GIGQVBGESA-N 374.253 5.266 0 1 FKAF COc1ccc(C2(c3nc4ccc(SC)cc4[nH]3)CC3(CCC3)C2)cc1 587934880 HMWQJDHJIPYPIF-UHFFFAOYSA-N 364.514 5.544 0 1 FKAF COc1cc(OC)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 587949427 GIBQVKSQTKWTMJ-SEYXRHQNSA-N 372.424 5.543 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587952607 UOCVTPKJOGLZQO-UVWXRNBGSA-N 374.834 6.282 0 1 FKAF COc1cc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2cc1C 587957654 OJMJOJSHDCCISM-UHFFFAOYSA-N 374.525 5.798 0 1 FKAF Clc1cnc2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2c1Cl 587961660 MXZBLLAUTXZKMD-UHFFFAOYSA-N 354.240 5.523 0 1 FKAF CC(C)(C)[C@]1(CC2CCCCC2)NCCc2c(Cl)cc(Cl)cc21 963120503 IYNKPYWQCUWRBA-HXUWFJFHSA-N 354.365 6.351 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C=C(OCC)OCC)C(F)(F)F 963244626 XBJPDKUDKIKRJO-HNAYVOBHSA-N 371.443 5.015 0 1 FKAF Cc1c(-c2ccc(N3CCC[C@@H](C)C3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772578477 RNMJDESKYCFJRV-CYBMUJFWSA-N 368.427 5.018 0 1 FKAF CCO[C@H]1C[C@@H](c2ccccc2)Oc2cc3c(c(OC)c21)C=CC(C)(C)O3 2356393419 JUEHBQGSIXIHCE-HKUYNNGSSA-N 366.457 5.481 0 1 FKAF Cc1cc(O)c([C@@]2(C)CCC(=CBr)[C@@H]2C)cc1Br 2356603567 DVSNCQPMSPUOAI-BONVTDFDSA-N 374.116 5.430 0 1 FKAF CC(=CCCC1=CC(=O)OC1)CCC=C(C)CC[C@]1(C)C(C)=CCC[C@@H]1C 2356605058 QKFVAMNZQMXWPV-WIOPSUGQSA-N 370.577 7.085 0 1 FKAF CC(=O)OC=C1CC[C@@H](C)[C@](C)(CCc2ccoc2)CC=CC=C1C(=O)O 2356694822 JRQGPOFUTKGREC-ZHRRBRCNSA-N 372.461 5.053 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5COC(=O)[C@H]54)C3=CC[C@@H]12 2356796012 MSEJIVNGRHWOTL-UZBJMLLFSA-N 354.534 5.685 0 1 FKAF COc1cc(/C=C/c2ccc3c(c2)OC(C)(C)C=C3)cc(OC)c1OC 13340544 WPVCFJCNTJKNBK-VOTSOKGWSA-N 352.430 5.067 0 1 FKAF CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(/C=C/C(=O)O)cc3)ccc21 13815202 PKXWKCWUBFDHSQ-KPKJPENVSA-N 362.469 5.364 0 1 FKAF CC(C)=CCC/C(C)=C/COc1cc(O)c(C(=O)c2ccccc2)c(O)c1 14775917 CPWFSCYLMXLCDK-SFQUDFHCSA-N 366.457 5.400 0 1 FKAF CCCN(CCC)c1c(C)nc(-c2ccccc2Cl)c2ccccc12 29037795 HCRUHERTXLXRRT-UHFFFAOYSA-N 352.909 6.490 0 1 FKAF Clc1cccc2c(C3CCN(CC4CCCCCCC4)CC3)c[nH]c12 36221510 PFOKKLNWASJYSD-UHFFFAOYSA-N 358.957 6.361 0 1 FKAF CN(C)CCCOc1ccc(-c2cncc(-c3cc4ccccc4[nH]3)c2)cc1 40916067 NCRBDASBZIZCOY-UHFFFAOYSA-N 371.484 5.227 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1)[C@H](SC(C)(C)C)n1cncc1Cl 45374987 JZEKBJTTZQWMAX-HOTGVXAUSA-N 373.349 5.998 0 1 FKAF COc1ccc(CCCCCCCCC(=O)c2c(O)cccc2OC)cc1 45505990 FTCDLTSVWNEFFF-UHFFFAOYSA-N 370.489 5.566 0 1 FKAF biogenic C[C@]1(c2ccccc2)CCN(c2cccc(-c3ccccc3F)c2)C(=O)O1 72118688 CJOYNVRXISNTHV-HSZRJFAPSA-N 361.416 5.755 0 1 FKAF CCCn1c(C)c(C(=O)c2cccc3cccc(Cl)c23)c2ccccc21 95560554 PEEPARIUIZRQHZ-UHFFFAOYSA-N 361.872 6.397 0 1 FKAF c1ccc(-c2ccnc(Nc3ccc4nc(-c5cccs5)oc4c3)n2)nc1 144258788 DKGDQZZRSFHJEE-UHFFFAOYSA-N 371.425 5.152 0 1 FKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)C(=O)NCC(=O)O 150374035 ILSMDNVBZYGMDG-OTWHNJEPSA-N 355.563 5.262 0 1 FKAF endogenous,in-man CCOc1cc(CNC2CCC2)cc(Cl)c1OCc1ccc(F)cc1 169303700 PQTNQAUVFUDYRR-UHFFFAOYSA-N 363.860 5.099 0 1 FKAF COc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(CC=C(C)C)[C@@H](C2)[C@@H]1C 169317515 DJWPZHRFUWGANW-LQGLAIQGSA-N 361.529 5.214 0 1 FKAF CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2[C@H](C)c2ccccc2)s1 206865250 CNNUXIFAUGMLRE-QVKFZJNVSA-N 362.498 5.638 0 1 FKAF Cc1ccc(CSCCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 586969955 CFVLPKJLNSHAHZ-UHFFFAOYSA-N 366.408 5.246 0 1 FKAF Fc1cc2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2cc1Cl 587050868 RBUCDNZKFRNMMY-HTQZYQBOSA-N 355.627 5.933 0 1 FKAF Fc1cc2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2cc1Cl 587050873 RBUCDNZKFRNMMY-JGVFFNPUSA-N 355.627 5.933 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(Cl)cc(C)c2[nH]1 587073713 KJXGWVUSPHYDSI-UHFFFAOYSA-N 367.279 6.821 0 1 FKAF Cc1ccc2c3c(cc(-c4ccnc5[nH]ccc45)nc13)-c1ccccc1C2=O 587097096 PIPLQRDCCWRKJM-UHFFFAOYSA-N 361.404 5.298 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc(F)cnc3Cl)nc3cccc1c23 587103360 GDCDDCMIYTWWEO-UHFFFAOYSA-N 360.775 5.301 0 1 FKAF O=C1c2ccccc2-c2cc(Cc3c[nH]c4ccccc34)nc3cccc1c23 587106000 JNDDLGPQUJXQQZ-UHFFFAOYSA-N 360.416 5.518 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587114897 YWOWJWZNEULMKJ-SECBINFHSA-N 373.205 6.235 0 1 FKAF CC(C)Oc1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587133971 GSHLKHWKMIYRNV-GQCTYLIASA-N 368.305 5.216 0 1 FKAF O=C1C[C@H](c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587501668 JLRNTYVSECDLQE-GOSISDBHSA-N 357.247 5.034 0 1 FKAF Cc1cc(Cl)cc2c(CC(=O)O)c(-c3cc(Cl)ccc3Cl)[nH]c12 587623737 NOUDCGMGDUVARY-UHFFFAOYSA-N 368.647 5.731 0 1 FKAF Fc1cc2c(Cc3ccccc3Cl)c(-c3ccccc3)[nH]c2cc1Cl 587628839 ROLBSQYOEXIDTR-UHFFFAOYSA-N 370.254 6.872 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc4cc(N(C)C)ccc4c3)c(C)c2c1 587640598 BJTCRPMFSRCLPR-INIZCTEOSA-N 356.513 6.876 0 1 FKAF Cc1[nH]c2ccccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587800266 AVYFKQMFGPNPRY-APBUJDDRSA-N 373.269 5.002 0 1 FKAF CCC[C@]1(C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587819716 MSBKXQPHJNKYKM-ORAYPTAESA-N 368.334 5.698 0 1 FKAF c1ccc(-c2ccc(OCCCCCCN3CCCCCC3)cc2)cc1 1857601107 OZLGWLWEFHSQSK-UHFFFAOYSA-N 351.534 6.169 0 1 FKAF CC(C)=CCCC(C)=CCOc1ccc(-c2cc3ccccc3oc2=O)cc1 2356311705 MGDGSTUBVUWXAH-UHFFFAOYSA-N 374.480 6.532 0 1 FKAF CC(=O)O[C@@H]1C[C@]2(O)[C@H]([C@@H]1C)[C@@H]1[C@@H](C(C)=CCCC(C)(C)C)CC[C@]12C 2356696484 BJMNBTCOSIQTLE-QFIOOJFHSA-N 362.554 5.124 0 1 FKAF CC(=O)Oc1ccc(O)cc1C[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)CC[C@H]1C 2356803187 WUPXFGNCTYEWMM-HKDUHGGJSA-N 356.506 5.659 0 1 FKAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC2CCCCC2)cc1 775513 BZOPOAIJQCZWJA-UHFFFAOYSA-N 370.493 5.100 0 1 FKAF OCCCCCCCCCCCCCCCCc1c[nH]c2ccccc12 3974254 QASLBXBBIABXPJ-UHFFFAOYSA-N 357.582 7.164 0 1 FKAF CCN(CC)CCCCOC(=O)[C@](C)(c1ccccc1)C1CCCCC1 13453140 HXBKNTPSKWVIGR-HSZRJFAPSA-N 359.554 5.190 0 1 FKAF CCC[C@@H](C)n1c(CC)nc2c(-c3ccc([C@@H](C)O)cc3Cl)ccnc21 13479620 JXYKNBFFDJBIFG-ZIAGYGMSSA-N 371.912 5.729 0 1 FKAF C[C@H]1Cc2c([nH]c3ccccc23)C2(CCC(c3ccccc3)(N(C)C)CC2)O1 13976464 ANUHWKMJZIWIFE-UTTDKNERSA-N 374.528 5.356 0 1 FKAF CCCCCCc1ccc(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 28248168 ULFTXSQEVODRJY-UHFFFAOYSA-N 365.395 5.786 0 1 FKAF Cc1cc(C)c2oc(-c3ccc(-c4ccc(C(=O)O)s4)[nH]3)cc2c1C 29469101 GBRFJVSXJIYGRC-UHFFFAOYSA-N 351.427 5.780 0 1 FKAF Clc1ccc([C@H](Cc2ccc(Cl)cc2Cl)Cn2ccnc2)cc1 33493875 KKOAAOHTCJFRHQ-OAHLLOKOSA-N 365.691 5.870 0 1 FKAF C[C@@H](CCC(=O)O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 33820967 DEQAPBOSYFPJKQ-GJOWKPHHSA-N 372.549 5.347 0 1 FKAF Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1CNCc1ccccc1 36286613 RTCHZLNXSKOBKW-UHFFFAOYSA-N 374.267 5.781 0 1 FKAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C 40434327 HUBQDSPJUPTEJO-ZEQQQVMLSA-N 355.566 5.646 0 1 FKAF COCCn1cc(C(=O)c2cccc(-c3ccccc3)c2)c2ccccc21 72119777 XCUFQBJXWVZXBE-UHFFFAOYSA-N 355.437 5.186 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OC(CC)CC)cc2)n1 72186392 FGMLDNMOQNICMB-QGZVFWFLSA-N 358.526 5.967 0 1 FKAF Cn1c(-c2ccccc2)nc2cnc(Nc3ccc(F)c(Cl)c3)cc21 82082882 GNEQVEBFKSENDL-UHFFFAOYSA-N 352.800 5.171 0 1 FKAF Cn1ccc2cc(-c3cccc4nc(N5Cc6ccccc6C5)oc34)ccc21 169326052 SSRXUPGPJTXUQG-UHFFFAOYSA-N 365.436 5.507 0 1 FKAF CC(C)CCC[C@@H](C)CCC[C@H](C)CCCC/C=C\CCCC(=O)O 169636528 YFFYZNLBGSMHGN-UDRCTOAASA-N 352.603 7.627 0 1 FKAF Cc1cc(/C=N\OCc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 214407668 FURRINGIBZSNSY-FMCGGJTJSA-N 356.828 5.437 0 1 FKAF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1[C@@H](OCC)c1ccccc1 299826867 FBRUNVIQYSJYNE-IBGZPJMESA-N 357.837 5.124 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc12 586976504 VKXKWEOXDGQNSC-UHFFFAOYSA-N 370.077 5.916 0 1 FKAF Cc1cc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2cc1Br 587034107 OYOMVEQKBYPKGO-VIFPVBQESA-N 361.308 5.487 0 1 FKAF Clc1cccc(-c2cc(-c3nc4cc(Br)ccc4[nH]3)n[nH]2)c1 587068200 LJNNXXLVRZJGFY-UHFFFAOYSA-N 373.641 5.036 0 1 FKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccccc2[nH]1)c1cccc(Cl)c1 587071395 LZFONVFPWGWNDR-QGZVFWFLSA-N 371.868 5.025 0 1 FKAF Cc1ccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1C(F)(F)F 587094627 FNZMPUOLPRVNCM-UHFFFAOYSA-N 374.284 5.380 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CCCC[C@@H]41)-c1ccccc1C2=O 587101448 SVBARHQCYBWYFX-JKSUJKDBSA-N 353.465 5.975 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cnn(-c4ccccc4)c3)nc3cccc1c23 587104187 DZOQBRLKDAPUDI-UHFFFAOYSA-N 373.415 5.299 0 1 FKAF Cc1cccc(C)c1OCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105598 AQIYGRPPRBTQMO-UHFFFAOYSA-N 365.432 5.642 0 1 FKAF Cc1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1Br 587150825 FLQQKLWNKPXAHC-QWRGUYRKSA-N 363.205 5.183 0 1 FKAF Cc1c(F)ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587158642 IOIIONUIDGKASC-UHFFFAOYSA-N 360.367 5.155 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c3ccccc13)CC2=O 587471722 MREICKOWKFOHLZ-OAQYLSRUSA-N 350.389 5.344 0 1 FKAF CCCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1C 587476687 AEDOBLDCCJVSLD-OAQYLSRUSA-N 354.446 5.148 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(C)(C)C)cc1)CC2=O 587482912 KRMGRIVQTQGYHF-HXUWFJFHSA-N 354.446 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc([C@H](C)OC)cc1)CC2=O 587483274 PZZQBBROGKYBMB-NPMXOYFQSA-N 368.473 5.323 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccc(CC)cc1)(C(C)C)CC2=O 587489813 PURJIUGUZRLOTD-QHCPKHFHSA-N 352.474 5.424 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(C(C)C)cc1)CC2=O 587491773 YZMFAZIBPUNEHN-QHCPKHFHSA-N 352.474 5.739 0 1 FKAF O=C1C[C@H](c2ccc(SC(F)F)cc2)Oc2c1ccc1c2CCCC1 587510193 ZTWYCDBJRXGXDE-GOSISDBHSA-N 360.425 5.587 0 1 FKAF CCC[C@]1([C@H]2CCOC(C)(C)C2)CC(=O)c2ccc3c(c2O1)CCCC3 587534908 GXEMPJLUSAMPJS-GAJHUEQPSA-N 356.506 5.275 0 1 FKAF CCc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)cc1 587628175 IUFQYITULITJML-UHFFFAOYSA-N 369.745 5.935 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cccc(F)c12 587632740 JXUNTVXDLSMLCZ-UHFFFAOYSA-N 352.192 5.458 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(=O)O)c(-c3ccc(Cl)c(Cl)c3)c2c1 587640303 HASOBHQWNAWSQS-SNVBAGLBSA-N 362.256 6.353 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC2CCCCC2)N1 587813546 OTEYCMRUHHIRHH-BFUOFWGJSA-N 368.334 5.698 0 1 FKAF CC1=CC[C@H]([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587814947 JHLAHJUKMWCZPW-YEWDVWPNSA-N 352.291 5.084 0 1 FKAF CC(C)=CCC[C@H](C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817247 AUECGTZFPJLMHM-VEVIJQCQSA-N 354.307 5.546 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C)Cc2ccccc2)N1 587820359 OXCPFAUDOANUCU-VPZZIHKRSA-N 362.286 5.042 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1cccn1-c1ccc(Cl)cc1 963101108 JJLMOTYHIZYPIG-DENIHFKCSA-N 366.867 5.380 0 1 FKAF Cc1cc2[nH]c([C@@H](O)CC(C)C)c(CCc3ccccc3)c2cc1C(=O)O 1772587282 HTGKFNAWKNBAOS-NRFANRHFSA-N 365.473 5.039 0 1 FKAF Cc1cc(-c2ccc(C(=O)c3cc(F)cc(O)c3C)s2)cc(C)c1O 1857574753 XBQIFUGTDIWDFC-UHFFFAOYSA-N 356.418 5.122 0 1 FKAF CCCCC/C=C\[C@H](C)/C=C\C/C=C/C/C=C\CCCC(=O)NCCO 1857758876 HPZWGIGIINAFKI-PMGUHBDASA-N 361.570 5.487 0 1 FKAF COc1ccc(/C(=C/c2ccccc2)CC(=O)N(C(C)C)C(C)C)cc1 1911586569 JEHQLOWZTUQURP-RCCKNPSSSA-N 351.490 5.271 0 1 FKAF O=C1OC(=Cc2ccccc2)C(Cc2ccccc2)=C1Cc1ccccc1 2356558780 LUUFEHDSGHDNCI-UHFFFAOYSA-N 352.433 5.366 0 1 FKAF CC(=CCC[C@]1(C)CCc2c(C)cc(O)cc2O1)CCC=C(C)C(=O)O 2356571948 KPGLBIOCBVOVMN-JOCHJYFZSA-N 358.478 5.322 0 1 FKAF CC1=C2CC[C@H](C)[C@@H]2[C@H](O)[C@]2(C)CC[C@]3(C)CCC(C)(C)C[C@H]3[C@@H]2CC1 2356754576 AKSFJIXKSLGFLQ-OYFMYTKGSA-N 358.610 6.753 0 1 FKAF COC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C[C@H](C(=O)OC)CC1(C)C 2356762117 APNSBFSSOLMCSO-IBGZPJMESA-N 372.505 5.090 0 1 FKAF O=C(O)[C@H](CCCCC1c2ccccc2-c2ccccc21)Cc1ccccc1 13741272 DTGHEJZBQMEOGU-HXUWFJFHSA-N 370.492 6.303 0 1 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccccc1)Oc1ccc(F)cc1-3 13777157 VXRLIUYZYDZKBE-XMMPIXPASA-N 371.455 6.582 0 1 FKAF CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1(C)C 22937976 PUQPKVFFZKBJLD-PZJWPPBQSA-N 372.915 5.082 0 1 FKAF CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1[C@@H]3C 26654831 IBWSBFRDGVOTMF-LBPRGKRZSA-N 354.291 6.189 0 1 FKAF CC1(C)CCC(C)(C)c2cc([C@@H](O)c3cccc(/C=C/C(=O)O)c3)ccc21 26723318 PUGLQZHDZGVGSG-NJTIBFSMSA-N 364.485 5.215 0 1 FKAF COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 27717907 XKAYSSZHBAXOBU-UHFFFAOYSA-N 360.844 6.073 0 1 FKAF CCNC(=O)Nc1ccc(OCCn2c3ccccc3c3ccccc32)cc1 28818352 YAATZLDRDWENJQ-UHFFFAOYSA-N 373.456 5.015 0 1 FKAF O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)Oc1ccc(Cl)cc1 40405720 DYZWIPDIDSFNLE-FQEVSTJZSA-N 352.817 5.082 0 1 FKAF CC1=CCO[C@]2(C)CC[C@@H]3[C@]4(C)CCCC(C)(C)[C@@H]4[C@H](O)C[C@]3(C)[C@@H]2CC1 85668396 QYJVOUQEESLRBV-GPZVHATJSA-N 374.609 6.132 0 1 FKAF biogenic c1ccc(CCNc2[nH]c3ccccc3c3nc(C4CCCC4)nc2-3)cc1 101382890 QJYJSZXEMLIZCF-UHFFFAOYSA-N 356.473 5.375 0 1 FKAF CCC[C@H](C(=O)O)c1c(C)nc2scc(C)c2c1-c1ccc(C)cc1 113123661 BKBJKGIDUGKYED-INIZCTEOSA-N 353.487 5.857 0 1 FKAF Fc1ccc([C@@H]2C[C@H]3CC[C@@H](S3)[C@@H]2c2cc(-c3ccccc3)no2)cc1 169335224 LSHLQBBAJNMIOH-OSZJIOELSA-N 365.473 6.016 0 1 FKAF CCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1Cl 473083967 DSONQKOVCMIOOT-UHFFFAOYSA-N 363.288 5.765 0 1 FKAF Oc1c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc2c1CCCC2 586897341 BIXXSRSRMGIQPP-UHFFFAOYSA-N 372.493 5.966 0 1 FKAF O=C1c2ccccc2-c2cc(/C=C/c3ccc(F)cc3)nc3ccc(O)c1c23 586988949 UCEGESJWAQVDDF-JXMROGBWSA-N 367.379 5.461 0 1 FKAF CCCCC/C=C/Cc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586992327 VNZBEXIVHHIEPK-VOTSOKGWSA-N 357.453 5.831 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2c(Cl)c(Cl)cnc2[nH]1 587065857 AKBAWVOATNIZPM-MRVPVSSYSA-N 356.640 5.367 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cnn(-c5ccc(Cl)cc5)c4C)[nH]c32)n1 587076700 ZQJBMWBCTYNBLH-UHFFFAOYSA-N 373.847 5.234 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CCC1(CCCC1)C4)-c1ccccc1C2=O 587100379 INEXLSLMXULWBH-UHFFFAOYSA-N 353.465 5.804 0 1 FKAF Fc1ccc(/C=C(/c2nc3cnc4ccccc4c3[nH]2)c2cccs2)cc1 587164676 UWCATELLFKCHBU-SFQUDFHCSA-N 371.440 5.901 0 1 FKAF Fc1ccc2c(c1)C[C@H](c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)O2 587173238 ADUBMYAYYBSIMR-CQSZACIVSA-N 356.706 5.050 0 1 FKAF Cc1ccc([C@H]2CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)cc1 587208230 SREHUFTYFVCQBY-QGZVFWFLSA-N 361.444 5.833 0 1 FKAF Cc1c(C)c2ccc(O[C@@H](C)c3cc4c5c(cccc5n3)CC4)cc2oc1=O 587216585 GDQAHYJYHYOAFM-HNNXBMFYSA-N 371.436 5.197 0 1 FKAF O=C(c1ccc(Cl)c(Br)c1)c1coc2ccc(Cl)cc12 587275594 CBCRHUBUKKXEJI-UHFFFAOYSA-N 370.029 5.733 0 1 FKAF CC(C)C[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355519 VGLVTDQUNVZKJN-VSUDMRMVSA-N 368.448 5.475 0 1 FKAF Cc1ccc(Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587403201 KVECIACMISEADB-JOCHJYFZSA-N 359.425 5.384 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc(-c3ccccc3)cc1)O2 587406141 PQUUEZRVHHCSNM-HXUWFJFHSA-N 357.453 5.211 0 1 FKAF CCc1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)s1 587408521 CJCZXWMJHBBSRK-JOCHJYFZSA-N 363.482 5.110 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccc(Cl)cc3[nH]1)CC2=O 587458578 AFCLOOOOBNFBGG-LJQANCHMSA-N 355.821 5.186 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)CCc2ccccc21 587480508 LBFHHAQUQFOFDT-XMMPIXPASA-N 364.485 5.568 0 1 FKAF C[C@]1(CCc2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587523932 IXFKSNDAZCRVRA-DEOSSOPVSA-N 359.469 5.403 0 1 FKAF O=C1C[C@@H](c2cc(Cl)sc2Cl)Oc2c1ccc1c2CCCC1 587530590 FYAUTCKVLWBETK-AWEZNQCLSA-N 353.270 5.640 0 1 FKAF Cc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)o1 587532254 KCBSZKCSHFTXFG-HSZRJFAPSA-N 358.437 5.840 0 1 FKAF C[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2S1 587538306 OYLHUVVXFIKSAO-RCDICMHDSA-N 350.483 5.310 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1CCC1 587602928 LQMZPQTZCNEYBM-XUZZJYLKSA-N 372.420 5.049 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccc(Cl)cc2)N1 587695863 JQFLRPKDFOXXFK-DYZYQPBXSA-N 368.677 5.060 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccccc2)N1 587816124 UQYWSSNAJDOGMR-IEIIEHMNSA-N 360.270 5.051 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCCCCCC2)N1 587823166 OQFPXLPXADHGFU-KZULUSFZSA-N 354.307 5.524 0 1 FKAF CC1=CCC[C@H](C)[C@@H]1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587823348 PBKKLYQBNLFXSY-YDOWWZDFSA-N 352.291 5.156 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(Cc2c(Cl)cccc2Cl)N1 962946827 JMSMRCXRCNUXDO-ZSEKCTLFSA-N 373.327 5.857 0 1 FKAF CCCN1[C@@H](c2ccc(O[C@@H](C)CC)c(OC)c2)c2ccccc2C[C@H]1C 963241158 LYOPRGVRYTUJLJ-YTZAWJCFSA-N 367.533 5.619 0 1 FKAF Fc1ccc(Cl)c(F)c1-c1cnc(Cl)n1-c1ccc(Cl)cc1 1772615821 ZYUCZNVTAZUNML-UHFFFAOYSA-N 359.590 5.778 0 1 FKAF CCN(C(=O)CCn1c(C2CCCCC2)nc2ccccc21)C1CCCC1 1857601578 PURWJRFWFLHHGE-UHFFFAOYSA-N 367.537 5.265 0 1 FKAF Oc1ccccc1-c1cc(-c2ccccc2)nc2c1Cc1cccc(O)c1-2 1857616536 ZAELVKXTPPJADP-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF COc1ccc(-c2cc3c(=N[C@H](C)C4CCCCC4)nc[nH]c3s2)cc1 1857746120 UZUFUWZBAUSBRJ-CQSZACIVSA-N 367.518 5.170 0 1 FKAF O[C@](c1ccccc1)(c1nc(/C=C/c2ccccc2)cs1)C(F)(F)F 61906848 JSAZGJWABSGUJE-IENJSVCTSA-N 361.388 5.112 0 3 FKAF C[C@@](O)(c1ccc(F)c(F)c1)c1nc(-c2ccc3ccccc3c2)cs1 61927508 ZUTZZXWHGKRCGS-OAQYLSRUSA-N 367.420 5.497 0 3 FKAF Cc1ccc(-c2nc3c4ccccc4ccn3c2Cc2cccc(F)c2)cc1 199364183 CDSIEDSJMIRWBA-UHFFFAOYSA-N 366.439 6.193 0 3 FKAF Cc1cc(=O)c(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c(C)[nH]1 599758 RYOIPOKPCFXUKG-UHFFFAOYSA-N 359.347 5.470 0 1 FKAF O=C1CCCCC[C@@H]1CC(Sc1ccccc1)Sc1ccccc1 1860431 QPMNNWMIOHFADR-QGZVFWFLSA-N 356.556 6.437 0 1 FKAF CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCCC 4213790 GGIMTSBTXJOXKT-YADHBBJMSA-N 372.553 5.740 0 1 FKAF COc1cc(C(=O)O[C@@H]2CC(C)=C3CC=C(C)[C@@H]3C[C@H]2C(C)C)ccc1O 5645191 YDLFKPPITJZFOQ-IRFCIJBXSA-N 370.489 5.275 0 1 FKAF biogenic CCc1nc2c(-c3ccc(Cl)cc3C)nccc2n1[C@H](CC)C1CC1 13479649 GZTKAYBCLJNTSZ-QGZVFWFLSA-N 353.897 5.984 0 1 FKAF O[C@H](CC1CCN(Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 13729975 CPZOJVSRXNVCFS-HXUWFJFHSA-N 363.423 5.041 0 1 FKAF CC(C)=CCc1cc2c(c3c1OC(C)(C)C=C3)O[C@H](c1ccccc1)CC2=O 14587466 LGHPWLOMYSXCFG-QFIPXVFZSA-N 374.480 6.086 0 1 FKAF biogenic CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCCC[C@@H]1N(C)C 28240253 BFCJTKARVHSAAF-ZWKOTPCHSA-N 371.352 5.389 0 1 FKAF CC[C@]1(CCCNC)Cc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O 28528303 GWNCELRRXGHFMX-QFIPXVFZSA-N 370.924 5.265 0 1 FKAF COc1ccc(Nc2cc(/C=C/C3=C(C)CCCC3(C)C)nc(N)n2)cc1 28712586 JSBAENFBWOGNGZ-FMIVXFBMSA-N 364.493 5.351 0 1 FKAF Oc1ccc(C(=Cc2ccc(Br)cc2)c2ccc(O)cc2)cc1 29234772 ZWPBERBVKRPARW-UHFFFAOYSA-N 367.242 5.449 0 1 FKAF Cc1[nH]c(C)c(-c2ccc(Oc3cccc(Cl)c3)cc2)c(=O)c1Cl 40395341 FDUIMJYCONOUPM-UHFFFAOYSA-N 360.240 5.758 0 1 FKAF CC(C)(C)c1cc[n+](CCCCCCC[n+]2ccc(C(C)(C)C)cc2)cc1 66100273 JKRDVRQPPOYWTL-UHFFFAOYSA-N 368.609 5.507 0 1 FKAF CCCCc1ccc(-c2nc(CNC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)co2)cc1 72101079 ULBYIESLTUGJFL-ONTIZHBOSA-N 366.549 5.846 0 1 FKAF C[C@H]1CCC[C@H](NCc2coc(-c3ccccc3Br)n2)[C@@H]1C 72179987 YTDJPRCFNNVFHH-AHIWAGSCSA-N 363.299 5.018 0 1 FKAF Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N/c2ccc(Cl)cc2)s1 103272289 LNCRDPFFQVVVJZ-JWGURIENSA-N 368.811 5.752 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@](O)(c5ccccc5)CC[C@]34C)[C@@H]1CCC2=O 118920103 FBCINCBIRWVDGR-ZMTPGRRHSA-N 366.545 5.486 0 1 FKAF Oc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1 147845305 FNRLXEOXNCVTIG-UHFFFAOYSA-N 355.397 5.385 0 1 FKAF CC1(C)C2=CC[C@H]3[C@@H]4CC[C@](C)(O)[C@]4(C)CC[C@H]3[C@@]2(C)Cc2cnoc21 169359912 AXLOCHLTNQDFFS-HRLFLJGJSA-N 355.522 5.038 0 1 FKAF COc1ccc([C@@H]2C=C(c3ccccc3)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1 169723766 CEPMTRVPSYXKEX-WMZHIEFXSA-N 359.469 5.280 0 1 FKAF COc1cccc(-c2cc(N[C@@H]3CCc4ccccc43)nc(C)n2)c1Cl 205832388 QBBKGVWWWJJXMW-QGZVFWFLSA-N 365.864 5.213 0 1 FKAF Cc1ccccc1[C@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991345 UBXMQDLXLYHQPJ-QGZVFWFLSA-N 363.416 5.148 0 1 FKAF COc1ccc(-c2ccc(-c3nc4ccc(F)c(C)c4[nH]3)c(F)c2)c(F)c1 587153331 YPBDGBZFCSAASK-UHFFFAOYSA-N 368.358 5.631 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc4ncsc4c3)nc3cccc1c23 587207949 JDDCGLFGYRAUFO-UHFFFAOYSA-N 364.429 5.723 0 1 FKAF CC[C@@]1(Cc2ccc(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587376888 UZGAUJHYAXRBRC-LJQANCHMSA-N 364.272 5.241 0 1 FKAF CCCCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520464 BZCICJHTGZUYBO-QHCPKHFHSA-N 364.485 5.841 0 1 FKAF CC(C)[C@H](c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602090 IURSHLCUELJNMY-DPLHUUCSSA-N 374.436 5.162 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cc(Br)ccc3O)c(C)c2c1 587639377 TYTZNHDUMXVSBN-NSHDSACASA-N 358.279 6.125 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)c2ccccc2)N1 587820067 ONMZMFCHJYKDFA-SGTLLEGYSA-N 362.286 5.141 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2c2ccccc2)N1 587824851 ZFWQBCIWADHDQW-OWDMVUQNSA-N 374.297 5.285 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(F)cc1 587863888 CXFISKQMDZGUST-UHFFFAOYSA-N 350.315 5.096 0 1 FKAF CC(C)Oc1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587949199 AWBCXCHPDXNKDN-UHFFFAOYSA-N 358.441 5.733 0 1 FKAF Clc1ccc2[nH]c3c(c2c1)CCN(c1nc2cccc(Cl)c2s1)C3 1857580000 WDWYVYJFNYJIQZ-UHFFFAOYSA-N 374.296 5.647 0 1 FKAF COc1ccccc1-c1nccc2c(Nc3ccc(F)c(F)c3)c(N)oc12 1857766180 IWYFYHUBDOWESR-UHFFFAOYSA-N 367.355 5.107 0 1 FKAF CC(C)=CCc1cccc2c([C@H](C=C(C)C)[C@@H]3C=C=C=C=C=C[C@H]3N)c[nH]c12 2356471051 JCVMSAVEYTUMSJ-QQKQFIJSSA-N 368.524 5.860 0 1 FKAF CC(=CCC[C@H](CO)CCCc1ccoc1)CC[C@@H]1C(C)=CCCC1(C)C 2356607415 UJVZMYQCMKGVLL-LADGPHEKSA-N 372.593 7.100 0 1 FKAF CC(=O)OC=C1C[C@H](C)[C@](O)(CCc2ccoc2)[C@]2(C)CCCC(C)(C)[C@H]12 2356773549 BYUMYSPTNUHTMR-ZOGZYCIHSA-N 374.521 5.263 0 1 FKAF COc1cc([C@H](C)c2ccc3c(c2)Nc2ccccc2S3)ccc1Cl 2382230624 RULHNXORRZGGSO-CYBMUJFWSA-N 367.901 6.709 0 1 FKAF Clc1cccc(OC[C@H]2[C@@H]3CC[C@H](C[C@@H]2c2cccs2)N3)c1Cl 3986341 QZQZBTJZISDJMB-COMQUAJESA-N 368.329 5.358 0 1 FKAF Clc1ccc(-c2cc(Cl)cc3c2N2CCNCC[C@@H]2C3)c(Cl)c1 13535525 CXYZMDKHIFXQGJ-CQSZACIVSA-N 367.707 5.038 0 1 FKAF Oc1cc(O)cc(CCCCCCCCCCCCc2ccccc2)c1 14651583 LBWBDHYIXVJYGM-UHFFFAOYSA-N 354.534 6.784 0 1 FKAF biogenic CCCCCCSC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28098249 YHSIOGBAMKKEDO-SWZPIXIJSA-N 354.556 5.295 0 1 FKAF CC(C)Cc1ccc([C@@H](C)c2n[nH]c(Nc3cccc(Cl)c3)n2)cc1 28654533 IQIKWQAZJWXBPT-CQSZACIVSA-N 354.885 5.552 0 1 FKAF Oc1ccc(CCc2c(Cl)cc(Cl)c(O)c2Cl)cc1Cl 28972590 UYVQUQJUGXIFJW-UHFFFAOYSA-N 352.044 5.497 0 1 FKAF biogenic O=C1C[C@@H](c2ccccc2)c2c(ccc3cc(Cc4ccccc4)ccc23)O1 29151524 PTVBTNTZIPECNL-QHCPKHFHSA-N 364.444 5.872 0 1 FKAF Cc1[nH]c(=S)n(Nc2cccc(Cl)c2)c1-c1ccc(Cl)cc1 29333520 OVYZKQMCGTXVME-UHFFFAOYSA-N 350.274 5.703 0 1 FKAF O=C(Nc1oc(-c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1 35274566 YVVKUQMPILFSRA-UHFFFAOYSA-N 358.372 5.400 0 1 FKAF CN[C@H](C)c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1 40846013 FZIODVGUIQNDEG-SECBINFHSA-N 364.194 6.085 0 1 FKAF CCCNC(=S)Nc1cccc(OCCCCCc2ccccc2)c1 40955194 LIOZQZUOBQCRFH-UHFFFAOYSA-N 356.535 5.175 0 1 FKAF CC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1ccc(Cl)cc1 45289176 SHFZJNYLZBNTIZ-UHFFFAOYSA-N 355.865 5.467 0 1 FKAF O=C(Nc1nccs1)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49072911 RYWBGLSCOFFRJE-ZDUSSCGKSA-N 369.317 5.753 0 1 FKAF COc1ccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)cc1 72110114 JNKLVWHBRNGXQH-UHFFFAOYSA-N 356.443 5.117 0 1 FKAF Cc1cccc2cc([C@H]3CC(c4ccc(Cl)s4)=NN3)c(Cl)nc12 103212121 YWIQFTKKPWKYBJ-GFCCVEGCSA-N 362.285 5.350 0 1 FKAF Cc1cccc2ccc3c4c(ccc3c12)[C@@](C)([C@@H](C)CCCC(C)C)CC4 111475561 UKMKQDKERXPFHR-CCLHPLFOSA-N 358.569 7.968 0 1 FKAF biogenic COC(=O)c1ccc(O)c(C[C@]2(C)[C@@H](C)CC[C@@]3(C)C(C)=CCC[C@H]32)c1 139154198 TWZHUXQQMDYCHL-HZUHNNHMSA-N 356.506 5.520 0 1 FKAF COC(=O)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 140978901 MVNZWWOGXOULPM-YPAWHYETSA-N 354.619 7.405 0 1 FKAF Cc1ccc(Nc2ccc(Oc3ncccc3-c3ccnc(F)c3)cc2)nc1 148028781 RNCFJBHEJLHXRO-UHFFFAOYSA-N 372.403 5.522 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2[C@@H](C)CC1 169332981 MSUHGDQBGRIICK-ULQDDVLXSA-N 356.550 7.067 0 1 FKAF CCc1nc2ccccc2n1CCCCOc1c(Cl)cccc1Cl 473248216 LZSPMRXAARVNKO-UHFFFAOYSA-N 363.288 5.765 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(F)ccc4Cl)nc13)-c1ccccc1C2=O 586996717 RPFQXTMAACOBMN-UHFFFAOYSA-N 373.814 6.214 0 1 FKAF Cc1c(Br)cc2nc(CSCc3ccsc3)[nH]c2c1C 587025980 JMDNHKHQPMZQRH-UHFFFAOYSA-N 367.337 5.437 0 1 FKAF CCc1ccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2c1 587064620 FJAUFEVTKWEYJB-UHFFFAOYSA-N 350.853 5.248 0 1 FKAF Fc1cccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1C(F)(F)F 587096885 DEJCHOCLEVSIOL-UHFFFAOYSA-N 350.102 5.090 0 1 FKAF CCC(C)(C)[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587100677 OGXQWXSWRVBXSN-INIZCTEOSA-N 369.508 6.296 0 1 FKAF FC(F)(F)Sc1ccc(/C=C\c2nc3c(Cl)ccnc3[nH]2)cc1 587126199 VWMVXMVHWRAKKO-UTCJRWHESA-N 355.772 5.394 0 1 FKAF Cc1ccc(/C=C\c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1F 587146439 MEUCUJUAPOTGAD-PLNGDYQASA-N 354.734 5.853 0 1 FKAF COc1cccc(-c2cc([C@H](C)CC(=O)O)nc3c2oc2ccccc23)c1 587365753 IWQFATXRKAFDJP-CYBMUJFWSA-N 361.397 5.235 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCNc3cc4ccccc4cc31)CC2=O 587480616 FBYUXRMRBMEURV-DEOSSOPVSA-N 373.452 5.174 0 1 FKAF CCCc1c(O)ccc2c1OC1(CCC(c3ccc(O)cc3)CC1)CC2=O 587482047 OGDZVFQLYSBVDX-UHFFFAOYSA-N 366.457 5.112 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3cccs3)cs1)CC2=O 587495749 SLXMWKIPYDPGAK-QGZVFWFLSA-N 370.495 5.841 0 1 FKAF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)cc1 587628174 IRIQKKAHUJZIBY-UHFFFAOYSA-N 369.745 5.773 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(Cl)c2)N1 587736380 ZPJNCIGAFISUFB-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C3CC3)c2)N1 587814910 JCWMVJOFCANAFH-MPBGBICISA-N 374.297 5.263 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCc3ccccc32)N1 587818149 CDKLQOXEBBYVCA-RRBXVBTKSA-N 374.297 5.284 0 1 FKAF CC[C@]1(C2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587818747 JCSOCLDYYPWZJL-KPZWWZAWSA-N 354.307 5.308 0 1 FKAF c1ccc(Oc2ccc3[nH]c(-c4ccc(OC5CCC5)cc4)nc3c2)cc1 587951521 NHIKPHCZXYUHLJ-UHFFFAOYSA-N 356.425 5.954 0 1 FKAF CC(C)=CCC/C(C)=C\c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587968444 QOWVNTZYBPLEID-XFXZXTDPSA-N 372.412 5.006 0 1 FKAF Cc1cc2c(cc1F)[C@](Cc1ccccc1Cl)(c1occc1C)NCC2 962375420 NIUKMTVBIVYUJI-JOCHJYFZSA-N 369.867 5.321 0 1 FKAF COc1ccccc1-c1ccc(NC(=O)Nc2ccc(Cl)cc2)s1 1857543846 BKTQZDMWJNJLCQ-UHFFFAOYSA-N 358.850 5.721 0 1 FKAF CC1=C[C@H](CNC(C)C)[C@@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356311248 YKRVTFSBFKRAFD-VAMGGRTRSA-N 353.554 5.266 0 1 FKAF CC(C)=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1CC=C(C)C 2356562010 NKCISAZZXKYCSK-UHFFFAOYSA-N 366.501 6.373 0 1 FKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 2356675274 OBWGUKUMNJWSCT-SUVRAQCXSA-N 366.589 7.103 0 1 FKAF Cc1cccc(C)c1NC(=O)CC(=O)Oc1c(C(C)C)cccc1C(C)C 599733 SGQLBDLOINUMPD-UHFFFAOYSA-N 367.489 5.484 0 1 FKAF O=C(NCc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccccc1 775296 XRTOOFCBMYGKIY-UHFFFAOYSA-N 372.399 5.078 0 1 FKAF COc1c(/C(C)=C\C=C\C(C)=C\C(=O)O)cc(C(C)(C)C)cc1C(C)(C)C 13522243 MESVMRRPHFEFOB-CABFJEEQSA-N 370.533 6.281 0 1 FKAF CCCCc1ccc(C[C@](C)(Oc2ccc(C(C)C)cc2)C(=O)O)cc1 13604810 JGLHLFRPQAGWMR-QHCPKHFHSA-N 354.490 5.617 0 1 FKAF CCCC/C=C\CCCCCCCCCCCCC/C=C/c1ccco1 15269023 KOWBSFRPGONUGQ-KWAXWUIGSA-N 358.610 9.111 0 1 FKAF CCCOC[C@H](Cc1ccc(F)cc1)Nc1nc2cc(C(C)C)ccc2o1 27996883 FSVKOPFQXIADID-IBGZPJMESA-N 370.468 5.540 0 1 FKAF O=C1NC(=O)/C(=C\c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)S1 28703306 ULQADGPTLZWIQN-LHHJGKSTSA-N 366.225 5.110 0 1 FKAF Cc1cc(-c2cccs2)cn2c(CSCCc3ccccc3)cnc12 28877361 DNQRMYDRHXMPJW-UHFFFAOYSA-N 364.539 5.847 0 1 FKAF CCNC(=O)/C(C(=O)O)=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 40620060 BOPGZYTZIJQPIR-PKBUNJFLSA-N 371.521 5.109 0 1 FKAF CC(C)NC(=O)N(Cc1ccccc1)Cc1cccc(-c2ccccc2)c1 66080386 FQRNTSVPJPARKR-UHFFFAOYSA-N 358.485 5.474 0 1 FKAF CC(C)c1cccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)c1 72107602 IPYFQOFBEXGHTQ-DEOSSOPVSA-N 351.534 6.139 0 1 FKAF CCC(C)(CC)c1ccc([C@@H](CN)c2ccc(-c3ccccc3)cc2)cc1 84738904 PVRAYXPMCFXDCA-VWLOTQADSA-N 357.541 6.522 0 1 FKAF O=C1CC[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1CC1CC1 95572262 DPTQNKRWFNZOCQ-TZIWHRDSSA-N 374.311 5.851 0 1 FKAF COC(=O)c1c(OC)cc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1 98085639 MCFMCOMRGSWVSB-UHFFFAOYSA-N 354.352 5.094 0 1 FKAF CN(C)[C@H]1CC[C@@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc32)CC1 101509258 WNDQUNBYWXFFGU-KOMQPUFPSA-N 366.534 5.255 0 1 FKAF Clc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1 114778375 LLVWDOAYMYUNNS-UHFFFAOYSA-N 371.871 5.567 0 1 FKAF CC(C)(C)Nc1c(-c2cccc(C#N)c2)nc2ccc(C(F)(F)F)cn12 207083275 QWTDNAJECWPVJB-UHFFFAOYSA-N 358.367 5.102 0 1 FKAF COc1cc(/C=C\c2nc3cccc(O)c3[nH]2)cc(Cl)c1OCC(C)C 587045968 AYTXNDUSIXKLOI-FPLPWBNLSA-N 372.852 5.136 0 1 FKAF Fc1cc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2cc1F 587052063 WTXRZPNTRQALAE-UHFFFAOYSA-N 365.166 6.075 0 1 FKAF FC(F)(F)c1cccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587052211 YPQCVWQCQPZKAF-DTWKUNHWSA-N 371.189 6.160 0 1 FKAF Clc1cc(Cl)c2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2c1 587054621 PDSCYUXCFYYJAV-SNAWJCMRSA-N 358.055 6.347 0 1 FKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(F)cc(Cl)cc2[nH]1 587075480 FDBYOUICMNXRNW-UHFFFAOYSA-N 374.202 5.443 0 1 FKAF Clc1ccc(C2(c3nc4cc(Cl)cc(Cl)c4[nH]3)CCC2)cc1 587077674 WZZLJPIXDJAHOV-UHFFFAOYSA-N 351.664 5.993 0 1 FKAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 587114872 XYTIZHKZLPYANI-MRVPVSSYSA-N 358.285 5.345 0 1 FKAF O=C(c1coc2ccc(Cl)cc12)C1c2ccccc2Oc2ccccc21 587277755 AELNOTOZNGMNOI-UHFFFAOYSA-N 360.796 6.207 0 1 FKAF CCOC1=C(C)c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587364178 YPIHHVFDJPMEJB-UHFFFAOYSA-N 371.436 5.980 0 1 FKAF CC[C@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587364702 AWEGAJOQKODTSD-HNNXBMFYSA-N 357.453 6.172 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(Oc3ccccc3)c1)O2 587381662 KWVRFUZMOAPOQT-FQEVSTJZSA-N 363.388 5.215 0 1 FKAF Cc1ccc(COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587398572 FNFSDSYHUGCKSH-QHCPKHFHSA-N 373.452 5.171 0 1 FKAF C[C@@]1(CCc2c(F)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587502192 CURRQFWHXLSDPJ-JOCHJYFZSA-N 356.412 5.200 0 1 FKAF Cc1ccc(-c2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)no2)cc1 587526283 PEYGSEQTAPJJTA-JOCHJYFZSA-N 359.425 5.235 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]c12 587624738 QJBFSKKEQUMVGI-UHFFFAOYSA-N 353.799 6.742 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)NCc3ccc(Cl)cc3)c2c1 587639704 BUWSWFFACPYXNP-CYBMUJFWSA-N 354.881 5.573 0 1 FKAF Clc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cn1 587783558 CHWGVGKETSVZTL-FLIBITNWSA-N 361.832 5.361 0 1 FKAF C=Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587816294 WAOXUHADPZUWMN-HXPMCKFVSA-N 360.270 5.029 0 1 FKAF CCC[C@]1(C2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587821829 YFGISXMZQQZJKM-ORAYPTAESA-N 368.334 5.698 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC2(C)C)N1 587822781 MHHMPVCCALUMRH-BBATYDOGSA-N 354.307 5.164 0 1 FKAF CCCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587849796 VNMNFCKHEMQGHQ-DYZYQPBXSA-N 368.315 5.226 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587934754 FVYBFVYVWHTTBR-HSZRJFAPSA-N 368.480 5.631 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(Br)c(F)cc2[nH]1 587950925 FDWCNSLIKPZGIC-USBNGQNGSA-N 369.278 5.511 0 1 FKAF COc1cccc([C@H](C)Nc2cc(-c3ccccc3Cl)nc(C)n2)c1 653672847 ANYSPIHSRABVDN-ZDUSSCGKSA-N 353.853 5.287 0 1 FKAF CCCCC[C@@]1(c2ccnc(Cl)c2)c2ccc(F)cc2C[C@H]2CCCN21 963116261 WFCZBHHZZBUCLY-DENIHFKCSA-N 372.915 5.719 0 1 FKAF CC[C@H](C)C(C)=C[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@H](O)CC[C@H]4[C@H]3CC[C@H]12 2356727164 IUQROLUCBKYILE-JEWYXGAPSA-N 370.621 6.775 0 1 FKAF COc1ccc(Nc2nccc3c2cc(-c2cccc(F)c2)n3C)c(C)c1 74387060 MFDRIHVYJYJTCX-UHFFFAOYSA-N 361.420 5.440 0 3 FKAF CCc1c(C)nc(OC)c(NC(=O)C(C)(C)C)c1Cc1cc(C)cc(C)c1 5847219 SPXOYLTWMNEOCK-UHFFFAOYSA-N 368.521 5.153 0 1 FKAF Clc1ccc(-c2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 29130065 QKUWSIQZHMNIHB-UHFFFAOYSA-N 358.055 5.777 0 1 FKAF Cc1c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)ccc2cc(C(=O)O)ccc12 29314324 OEDPNFGTEWYFTG-UHFFFAOYSA-N 372.508 6.862 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820805 IUJRQVPSTXZBJZ-POTRJLTQSA-N 374.565 5.427 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC[C@@H](C)O 38146533 HTNMZCWZEMNFCR-VUXFYNJCSA-N 361.570 5.629 0 1 FKAF CCO[C@@H](c1ccc(C(F)(F)F)cc1)[C@@H](SC(C)(C)C)n1ccnc1 45393043 QPZWFNIAKRQNMF-JKSUJKDBSA-N 372.456 5.710 0 1 FKAF CC1(C)C[C@@](CCNc2cccc(C(C)(C)C)c2)(c2ccccc2)CCO1 72109143 UQVCHLFKAFFRFR-VWLOTQADSA-N 365.561 6.313 0 1 FKAF COc1ccc2nc(SCc3cccc(Oc4ccccc4)c3)[nH]c2c1 84635024 VWGACEKTAOFWMP-UHFFFAOYSA-N 362.454 5.656 0 1 FKAF O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cnc(Cl)s1 96926877 BMEKANQMCVMOHD-UHFFFAOYSA-N 371.874 5.326 0 1 FKAF CCCCCCO[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118920134 WZUFCJOKVUYXDX-XMHBYXNSSA-N 374.609 6.564 0 1 FKAF Cc1c([C@H](C)c2c(F)cccc2Cl)nc(SC2CCCC2)[nH]c1=O 169352206 QRVYKVAVPKUTGP-SNVBAGLBSA-N 366.889 5.057 0 1 FKAF Cc1cccc([C@H](C[C@H](N=O)c2ccncc2)c2ccc(N(C)C)cc2)c1 169730243 JLEQHPJQHNOEBF-PKTZIBPZSA-N 359.473 5.486 0 1 FKAF Cc1ccc(SCc2nc3ccc(Oc4ccccc4)cc3[nH]2)c(C)c1 586965140 RCBADYOKZGUJKF-UHFFFAOYSA-N 360.482 6.264 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C=C[C@@H](C(F)(F)F)C4)-c1ccccc1C2=O 586996842 SYYHMNAKTKUFMW-GFCCVEGCSA-N 365.354 5.502 0 1 FKAF Clc1cccc(/C=C\c2nc3ccc(Br)cc3[nH]2)c1Cl 587055097 RQWAACNXOFPSKA-DAXSKMNVSA-N 368.061 5.803 0 1 FKAF C[C@H](Oc1ccc(F)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587169579 ZRLCUUPIYXMGIS-HNNXBMFYSA-N 362.404 5.421 0 1 FKAF Fc1ccc2[nH]cc(Cc3nc4ccc(Sc5ccccc5)cc4[nH]3)c2c1 587175166 RNJMWOMCQAKLKO-UHFFFAOYSA-N 373.456 5.925 0 1 FKAF Brc1ccc(-c2nc3cccc4c3c(c2C2CC2)CC4)cc1 587206999 ARHQZENTYSWKNQ-UHFFFAOYSA-N 350.259 5.640 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CC(=O)C[C@@H]32)c1 587367747 UHXOKFDJLLWNNE-RDTXWAMCSA-N 369.420 5.275 0 1 FKAF O=C1C[C@@](CC2CC2)(c2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 587502730 SVWXJEYHBPKRSP-QHCPKHFHSA-N 366.888 5.880 0 1 FKAF Cc1noc(-c2ccccc2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521057 ABRCBEYCPAUURJ-HXUWFJFHSA-N 359.425 5.235 0 1 FKAF CCCc1c(-c2ccc(Cl)cc2Cl)[nH]c2cc(Cl)c(F)cc12 587627994 DTFVDWHSEMOBBL-UHFFFAOYSA-N 356.655 6.887 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(O)cc3)c(C(=O)C(F)(F)F)c2c1 587642464 SHOYWRLMLOHSGU-LLVKDONJSA-N 361.363 5.799 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2F)N1 587724168 FEGTWGLGNMWXDW-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF CCOc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1OCC 587921985 FLAXPQRJYZSZFB-UHFFFAOYSA-N 361.413 5.553 0 1 FKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587928173 XEMNMGOEZPWCFJ-SNVBAGLBSA-N 366.795 5.054 0 1 FKAF Oc1ccccc1-c1cc(-c2cccs2)cc(-c2ccc(Cl)cc2)n1 653735677 RPWNKACEHPGTFI-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF COc1cccc(N(C)C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1 653786008 OTKIVLLACOSBLA-UHFFFAOYSA-N 367.832 5.418 0 1 FKAF COc1cccc(Cl)c1[C@]1(C)NCCc2cc(-c3ccccc3)ccc21 962667969 NOLZCEWEHOHPAS-HSZRJFAPSA-N 363.888 5.425 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cncc(-c3ccccc3)c2)N1 962940598 DAGDTTIXHAUEKB-CVDCTZTESA-N 353.469 5.244 0 1 FKAF C[C@]1(c2cc3cc(Cl)ccc3o2)c2ccc(F)cc2C[C@H]2CCCN21 963110090 QKRNREFYODLNOT-DYESRHJHSA-N 355.840 5.509 0 1 FKAF CC[C@@H](C)[C@@H](O)c1[nH]c2cc(C)c(C(=O)O)cc2c1CCc1ccccc1 1772599478 FWGHIWBTCJDHCU-JLCFBVMHSA-N 365.473 5.039 0 1 FKAF CCC12C[C@@H]3C[C@H](C1)CC(NC(=O)c1cc4c(C)cc(C)cc4[nH]1)(C3)C2 1772613259 OMIPJMGCSHXETQ-WDXRGRCHSA-N 350.506 5.264 0 1 FKAF C[C@@H](Oc1cncc(-c2cnn(C)c2)c1)c1c(Cl)ccc(F)c1Cl 1857770567 QHTJQZRCXCCGNZ-SNVBAGLBSA-N 366.223 5.068 0 1 FKAF CCOP(=O)(OCC)[C@H](Nc1cccc(C)c1)c1ccc(F)cc1 6995575 WVRYZKBUNRHWCZ-SFHVURJKSA-N 351.358 5.511 0 3 FKAF COc1ccccc1Cc1c(-c2ccc(F)cc2)nc2ccc(Cl)cn12 95599147 OALDIPBUCXWJPI-UHFFFAOYSA-N 366.823 5.393 0 3 FKAF Clc1cccc2c1SC(c1ccccc1)(c1ccccc1)c1cccn1-2 13651991 JBFXROGEDAOQSM-UHFFFAOYSA-N 373.908 6.528 0 1 FKAF CC(C)(CCCCOc1cc(-c2ccccc2)c2ccccc2n1)C(=O)O 13729637 XDAFKHIHHDWBLG-UHFFFAOYSA-N 363.457 5.562 0 1 FKAF Oc1cc(CCc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl 16052312 SOSAEWQXZFTNAQ-UHFFFAOYSA-N 359.252 6.277 0 1 FKAF in-vivo CC(C)(C)C(=O)Sc1cc(F)ccc1NC(=O)C1(C)CCCCC1 26576826 ZQLZJIBEOYHDMG-UHFFFAOYSA-N 351.487 5.399 0 1 FKAF CC(=O)Oc1c(C(C)C)c(-c2ccc(F)cc2)c(O)c(C(C)C)c1C(C)C 26748963 WKDLTMZUSCLYDR-UHFFFAOYSA-N 372.480 6.494 0 1 FKAF CCCCCCOc1ccc(C(=O)[C@H](CN(C)C)c2ccccc2)cc1 42920294 WTRSQUHXNKRAOH-JOCHJYFZSA-N 353.506 5.174 0 1 FKAF CC(C)Sc1nnc(COc2ccccc2)n1-c1ccc(Cl)cc1 95595513 KNWWWFZWRORJKS-UHFFFAOYSA-N 359.882 5.000 0 1 FKAF O=c1cc(COc2ccccc2)[nH]cc1Oc1cccc(Cl)c1Cl 141826985 ZFVGPERDXOVSQU-UHFFFAOYSA-N 362.212 5.053 0 1 FKAF COc1cc(-c2ccc3c(-c4cc5ccccc5[nH]4)n[nH]c3c2)ccc1O 166889002 YANIJISPXQRULY-UHFFFAOYSA-N 355.397 5.092 0 1 FKAF CC[C@H](O)/C(C)=C/[C@H](C)[C@H](O)/C(C)=C/C(C)=C/[C@H](C)/C=C/c1ccccc1 299812383 YLFWWEOWHPOZJW-JDYFQPNPSA-N 368.561 5.943 0 1 FKAF CCCCC1CCC(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CC1 586893904 ZOQWWMMYPDQUOZ-UHFFFAOYSA-N 358.835 6.699 0 1 FKAF CC(C)(C)c1cccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587080396 PPMWEBUUFSZPEN-INIZCTEOSA-N 366.896 5.238 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C=C(c1cccnc1)CC4)-c1ccccc1C2=O 587097678 RZVLYVSMXSZBBJ-UHFFFAOYSA-N 374.443 5.636 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@](C)(O)[C@@H]1C[C@H]4C1(C)C)-c1ccccc1C2=O 587101349 MMYLGCCHTRDIEZ-RYUVBPIJSA-N 369.464 5.105 0 1 FKAF CCc1ccc(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587102626 YPIOONUFFZKRHY-UHFFFAOYSA-N 365.432 5.690 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(-n4ccnc4)cc3)nc3cccc1c23 587105315 YCGHYBOMZYCDGK-UHFFFAOYSA-N 373.415 5.299 0 1 FKAF Fc1c(F)c(F)c(/C=C/c2nc3ccc4c(c3[nH]2)CCCC4)c(F)c1F 587134132 IPMMBFSANSYYCW-SOFGYWHQSA-N 364.317 5.308 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(F)c(F)cc4[nH]3)ccc2F)cc1 587139275 FXIHYTWVIPZDFD-UHFFFAOYSA-N 366.342 5.517 0 1 FKAF O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)c1coc2ccccc12 587281148 YEJOEXAZDGQUFH-UHFFFAOYSA-N 358.237 5.701 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)c1ccc(Cl)cc1)CC2=O 587463924 ZVMAYZZBOFTPQH-LRTDBIEQSA-N 358.865 5.526 0 1 FKAF CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(C)C 587525069 PLIZDWAIPHZBLG-HSZRJFAPSA-N 364.485 5.794 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-n1nc(C(F)(F)F)cc1C1CC1 587629826 JQRMPMNZWLGCBE-UHFFFAOYSA-N 357.738 5.351 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(=O)O)c(-c3cnn(-c4ccccc4)c3)c2c1 587642612 NXHDHZFWGJTBEU-CQSZACIVSA-N 359.429 5.232 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3cc(OC)ccc3OC)c2c1 587642850 PDKSWNOIYSMCDP-ZDUSSCGKSA-N 366.461 5.259 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C23CCC(CC2)CC3)N1 587815798 QHOSOXZQTDEPAN-UAEPRSGYSA-N 366.318 5.308 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCc3ccccc32)N1 587818147 CDKLQOXEBBYVCA-CBLJQSSYSA-N 374.297 5.284 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccsc2)N1 587851164 BDICSNUJUFUVDU-DIFFPNOSSA-N 368.315 5.032 0 1 FKAF O=C(O)c1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1F 587951200 YBOUICMRSXLZGQ-KHPPLWFESA-N 374.371 5.363 0 1 FKAF CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2ccccc2o1 653718535 XDFGPJCCHQUCTI-UHFFFAOYSA-N 362.256 5.790 0 1 FKAF Cc1cccc2c1[C@H](C)C[C@@]21NC2(CC2)Cc2ccc(Br)cc21 961614399 KYTOQFBEOIZMEV-SPLOXXLWSA-N 368.318 5.187 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2C12CCN(c1cc(C)cc(C)c1)CC2 963232391 RYCGHDJQRCHBQQ-OAQYLSRUSA-N 362.561 5.456 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccn1)c1cc(C)ccc1C 963241647 NCXFKJNBTBNMFO-QFQXNSOFSA-N 370.540 5.647 0 1 FKAF Oc1ccc2c(c1)Cc1c(-c3ccccc3)cc(-c3ccccc3O)nc1-2 1857620274 SEJHFGAVAIXSKF-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF CC(=CCc1cc(C(=O)O)ccc1O)CC[C@@]1(C)[C@H](C)C(=O)CC[C@H]1C 2356462580 XTHUWDOULQJWNT-XCGNWRKASA-N 358.478 5.001 0 1 FKAF CC[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1)c1cc(OC)cc(OC)c1 203463381 KLTLDWRYXQPAOS-FQEVSTJZSA-N 371.477 5.593 0 3 FKAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCCC(=O)O1 4802986 ZIILNLOFIMZWPL-JAZTXMKBSA-N 358.522 5.064 0 1 FKAF CCC(CC)C(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C 13727244 XMSDFBFNDHOHIC-UHFFFAOYSA-N 362.473 5.914 0 1 FKAF CC1(C)CCC(C)(C)c2cc(COC(=O)c3ccc(C(=O)O)cc3)ccc21 13815228 UPGYBJNOGJHLQW-UHFFFAOYSA-N 366.457 5.091 0 1 FKAF O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1CO2 26837372 WIPSYIQXNHHKKS-UHFFFAOYSA-N 371.367 5.299 0 1 FKAF CCc1noc(CC)c1CCCCCCOc1c(Cl)cccc1Cl 27864049 UKGGRLVKFDGWMK-UHFFFAOYSA-N 370.320 6.288 0 1 FKAF CC(C)(C)OC(=O)n1c(-c2ccc(CCCO)cc2)cc2ccccc21 28822985 ARPXHHWSHWMMOR-UHFFFAOYSA-N 351.446 5.016 0 1 FKAF O=C1C[C@H](c2ccccc2)c2c(ccc3cc(-c4ccccc4)ccc23)O1 29151362 NGWGSPNTPBEGOR-JOCHJYFZSA-N 350.417 5.948 0 1 FKAF CC/C(=C(/c1ccc(O)cc1)c1ccc(NC(C)=O)cc1)c1ccccc1 29318140 PASMZDCVLHGNQR-VHXPQNKSSA-N 357.453 5.720 0 1 FKAF CCCCCc1cc2c(c([S@@](C)=O)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 45371629 VUCUVJOFUNNEBZ-GAKIBJFNSA-N 360.563 5.768 0 1 FKAF CCN1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1 66252661 HSUSOKSRYOCAIB-UHFFFAOYSA-N 350.893 5.235 0 1 FKAF Fc1cccc(-c2nc(Nc3ccc(Cl)cc3)c3cc(F)ccc3n2)c1 72116244 UKDFXXUTXCYTNU-UHFFFAOYSA-N 367.786 5.972 0 1 FKAF CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1S[C@H](C)CC 72179486 WBPRGCQXFLDPKA-LLVKDONJSA-N 369.361 6.466 0 1 FKAF CC(=O)c1cccc(-c2cc(NCc3cccc4ccccc34)ncn2)c1 82168163 IQFVDYMBMAVJJD-UHFFFAOYSA-N 353.425 5.112 0 1 FKAF Cc1csc(-c2nc(C(C)(C)C)[nH]c2-c2ccc3ncsc3c2)n1 95563290 PIZQDGNBODQPGY-UHFFFAOYSA-N 354.504 5.416 0 1 FKAF Cc1ccccc1NC(=O)Oc1ccc2c(c1)CCCN2Cc1ccccc1 95577395 VZWIJVLZLCGEAM-UHFFFAOYSA-N 372.468 5.559 0 1 FKAF Cc1cc(C2=C(c3ccc(Br)cc3)C[C@@H]3CC[C@@H]2S3)on1 101389005 VFWWGMNGYMVIBX-BBRMVZONSA-N 362.292 5.324 0 1 FKAF CC1(C)CC2=Nc3ccc4ncccc4c3[C@@H](c3ccccc3)C2=C(O)C1 104108378 BZPNZJPBKPSSES-OAQYLSRUSA-N 354.453 6.085 0 1 FKAF O[C@@H]1CCC[C@H](c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 142608168 MBWWOZAOTCKLFQ-FUHWJXTLSA-N 361.445 5.031 0 1 FKAF C[C@]1(O)C[C@@H]2CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)C1 169275681 JWKDQOYWIWZKKH-GVUWGDLOSA-N 351.534 5.479 0 1 FKAF CC1(C)CCn2nc(COc3ccccc3)cc2[C@@H]1OCc1ccccc1 299834191 BMBVKAHOATXQPS-QFIPXVFZSA-N 362.473 5.150 0 1 FKAF c1ccc(-c2ccc(-c3ncncc3-c3cc4ccccc4s3)s2)cc1 299859363 HULILHPPCZHIJL-UHFFFAOYSA-N 370.502 6.754 0 1 FKAF O=C1c2ccccc2-c2cc(Cc3ccc(Cl)cc3)nc3ccc(O)c1c23 586987065 YSMIDQWFBKMBRW-UHFFFAOYSA-N 371.823 5.396 0 1 FKAF Fc1cc(C(F)(F)F)c2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 587023288 HRYFKLRFUNYXLI-UHFFFAOYSA-N 363.339 5.511 0 1 FKAF CSc1ccc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2c1 587066062 HBOPPSXIVJORKY-UHFFFAOYSA-N 353.878 5.704 0 1 FKAF Clc1ccc(C2(c3nc4ccc(Br)cc4[nH]3)CCC2)cc1 587077921 ZJYFAZJQAIDMDI-UHFFFAOYSA-N 361.670 5.449 0 1 FKAF CC(=O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587082718 CTPSHHRQTRPCMF-UHFFFAOYSA-N 356.212 5.288 0 1 FKAF Fc1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1F 587145941 WHQXKOLSHNNLMU-UHFFFAOYSA-N 363.392 5.785 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1F 587150821 FLQQJUGVKXWLGV-SJORKVTESA-N 362.379 5.905 0 1 FKAF CC(C)[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198289 XGRRSLGFQZKFRF-SFHVURJKSA-N 371.868 5.182 0 1 FKAF CC[C@H](C)[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353164 OAKCJEHDYJBFHI-NPDZFYNASA-N 368.448 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(C1CCCC1)O2 587377039 GDMBGOYXEOOCJA-NRFANRHFSA-N 355.865 5.282 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(F)(F)F)c1C)CC2=O 587459020 CCZUEEQBZWVGOX-SFHVURJKSA-N 364.363 5.378 0 1 FKAF Cc1cc(Cl)cc2c(COc3ccccc3)c(-c3ccc(F)cc3)[nH]c12 587623983 BDGYFHWORRRADX-UHFFFAOYSA-N 365.835 6.515 0 1 FKAF CCOC(=O)c1c(-c2ccc(Cl)cc2F)[nH]c2cc(Cl)c(F)cc12 587629688 XNIQZYKLOXEROL-UHFFFAOYSA-N 370.182 5.597 0 1 FKAF COc1ccccc1-c1[nH]c2ccc(F)c(Cl)c2c1C(=O)C(F)F 587629720 ZDBNOGGCFCTOSD-UHFFFAOYSA-N 353.727 5.084 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2C(F)F)N1 587713512 DKUJHQPACJPJQY-ABKXIKBNSA-N 370.212 5.149 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(C)CCCCC2)N1 587816127 URDGBAAFWNBVQI-KPZWWZAWSA-N 354.307 5.308 0 1 FKAF CCC[C@@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587844449 ALDCCYAAXPOQHH-PIGZYNQJSA-N 368.315 5.228 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccc(F)cc1 587865136 REDYZYABHWRRKA-UHFFFAOYSA-N 364.342 5.155 0 1 FKAF C1=CCCNCCCNC[C@@H]2[C@H](C=CCCCCC1)C=C[C@H]1CCCC[C@H]12 2356337396 YMEPYIIXGBBSMO-ZGFBMJKBSA-N 370.625 5.631 0 1 FKAF CC(C)=CCCC(C)=CCOc1ccc(-c2cnc(-c3cccnc3)o2)cc1 2356494102 SCOSSTFYVOJNFI-UHFFFAOYSA-N 374.484 6.475 0 1 FKAF Fc1ccc(-c2cc(C(F)(F)F)n3nc(-c4cccs4)cc3n2)cc1 2382217788 MJXFYPADUSWLTM-UHFFFAOYSA-N 363.339 5.283 0 1 FKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(CO)cc1 13813572 ADRBEBBSCZRBOP-UHFFFAOYSA-N 356.421 5.236 0 3 FKAF aggregator S=C(Nc1ccccc1)O[C@@H]1CCC12CCC(c1ccccc1)CC2 96019263 LBLLSBIMNNADEC-AATLZSDMSA-N 351.515 5.907 0 3 FKAF CCCOC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1 29063906 DQIZJQMRJOUJHN-UHFFFAOYSA-N 370.452 5.318 0 1 FKAF CC[C@@H](C)c1cccc2c(C(=O)O)c(O)c(Cc3ccc(Cl)cc3)nc12 35087132 BWJYWBKYLBZRHI-GFCCVEGCSA-N 369.848 5.396 0 1 FKAF C[C@@]12C=C(/C=C/C=C\c3ccco3)[C@@](C)(C1)[C@H](/C=C\c1ccco1)CC2=O 73002112 UQMOFGNDJAVHLT-GHLLCAJPSA-N 360.453 6.087 0 1 FKAF Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccc1)c1ccc(CCCO)cc1 84671675 KAOODWWVZHYMNZ-VWLOTQADSA-N 370.496 5.603 0 1 FKAF Oc1cccc(-c2cc(-c3ccsc3)nc(-c3cccc(Cl)c3)c2)c1 95555138 GTTVMZGTCKPOKT-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF COc1ccc(C(=O)Oc2cccc3oc(-c4ccc(OC)cc4)cc23)cc1 96922081 FBTFFUQPWZHJGE-UHFFFAOYSA-N 374.392 5.336 0 1 FKAF CN1[C@@H]2CC[C@@H]1CC(O[C@@H](c1ccccc1)c1ccc(C(C)(C)C)cc1)C2 100834477 IGNVGOLMZFBAMQ-AKFKNWHVSA-N 363.545 5.715 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CC[C@H](C)C(=O)NC(C)C 169335292 NZNLIWSEVRUPQF-CWSQRDBVSA-N 359.598 6.903 0 1 FKAF Cc1ccc([C@@H]2CC(c3cccc(O)c3)=Nc3ccccc3S2)c(C)c1 169345011 PKSIWYZTULQELZ-QHCPKHFHSA-N 359.494 6.367 0 1 FKAF COc1ccc(C(=O)O[C@@H]2C/C=C(/C)CCCC(C)(C)[C@H](O)/C=C/2C)cc1 169692857 UIBZVWWCDCGANN-DPELIUPHSA-N 372.505 5.074 0 1 FKAF COc1ccc(/C=C/C=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1 474609338 PPISZIMXPLLQGN-MLDDFNBGSA-N 367.448 5.339 0 1 FKAF CC(=O)c1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1 587051140 XXKNZNFSDSCUHV-UHFFFAOYSA-N 374.827 5.565 0 1 FKAF Cc1nc2c(C)ccc3c2c(c1CCCCCC(=O)O)-c1ccccc1C3=O 587100376 IGSURXWJIWRTPH-UHFFFAOYSA-N 373.452 5.251 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2cccc(OC(F)(F)F)c2[nH]1 587156519 UFYYOBRSQQTGKW-LBPRGKRZSA-N 354.303 5.131 0 1 FKAF CCCc1c(-c2ccc(OC(F)(F)F)cc2)nc2cccc3c2c1CC3 587210684 VPYLYHMMJIIKGY-UHFFFAOYSA-N 357.375 5.852 0 1 FKAF Fc1c(Cl)cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1F 587232012 KXNLIEVCKKERKG-UHFFFAOYSA-N 373.790 5.044 0 1 FKAF Nc1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c2ccccc2c1 587251778 MSDPZSNULFGNKV-UHFFFAOYSA-N 361.754 5.638 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Oc3ccccc3)cc1)O2 587404018 SZVVGOMOCRYGTC-HSZRJFAPSA-N 359.425 5.250 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1SC(C)(C)C)O2 587408068 DNRXRMWYYACSFO-NRFANRHFSA-N 355.503 5.348 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c3c(C)ccc(C)c13)CC2=O 587479475 CCWKROGZAMTUHT-LJQANCHMSA-N 363.457 5.458 0 1 FKAF CC(C)C[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502372 QXLIYOUHSGMFTL-HSZRJFAPSA-N 368.904 6.126 0 1 FKAF C[C@@]1(c2cc(F)c(F)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508976 UTAPLGXQDBWALX-FQEVSTJZSA-N 364.338 5.002 0 1 FKAF CC[C@@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600979 DMAAQJBURUVODV-QPPBQGQZSA-N 374.436 5.276 0 1 FKAF Cc1[nH]c2c(C)cccc2c(=O)c1Cc1c(C)[nH]c2ccc(F)c(Cl)c12 587632034 BFEZQOZZBIQZDU-UHFFFAOYSA-N 368.839 5.318 0 1 FKAF O=C(c1cccc(OC(F)F)c1)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 587633988 RVJBJLQAQKGKHH-UHFFFAOYSA-N 373.252 5.158 0 1 FKAF C[C@H]1C[C@@H](C)C[C@H]([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 587813401 CAYLZQZLCLDVLL-LBLUWSNCSA-N 368.334 5.410 0 1 FKAF CC(C)c1ccc(O[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873058 BPECAKXBFVWDAA-CYBMUJFWSA-N 366.392 5.026 0 1 FKAF Cc1ccc(C(C)C)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587944334 AIAIPGTVFKJBFY-UHFFFAOYSA-N 361.464 5.505 0 1 FKAF CCc1coc2ccc(-c3cc(N[C@H](C)c4cccc(O)c4)nc(C)n3)cc12 653749377 VEBODEAQKVXTKP-CQSZACIVSA-N 373.456 5.639 0 1 FKAF Cc1cc2c(cc1F)[C@@](c1ccccc1)(c1cccc(Cl)c1)NCC2 962141231 BSPHCHIATUVVIJ-JOCHJYFZSA-N 351.852 5.225 0 1 FKAF Cc1cc(OC2CCC2)cc(-c2ccc3oc(CCC(=O)O)cc3c2)c1 1772654510 ONECIFACQAJVRO-UHFFFAOYSA-N 350.414 5.357 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)nc3c2Cc2c(O)cccc2-3)cc1 1857607569 KRECCTUGRFOPMR-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF CC(C)=CCCC(C)=CCc1c(O)cc(C=Cc2ccc(O)cc2)cc1O 2356441688 BBTTUQSLOSGAHM-UHFFFAOYSA-N 364.485 6.209 0 1 FKAF CCCCC[C@@H](C=CC=CCCCCCCCC(=O)OC)OC(C)=O 2356449224 FVCFYYSXQUEISL-FQEVSTJZSA-N 352.515 5.515 0 1 FKAF CCCCC[C@H](O)C=CCCCCCCCc1cccc(O)c1C(=O)O 2356469631 VHQRJUBBALXICA-IBGZPJMESA-N 362.510 5.471 0 1 FKAF CC(=O)OC(C)(C)[C@H]1CCC(C)=CCCC(C)=CCCC2=C[C@H]1OC2=O 2356541507 JRHSHBMAWLBQTD-VQTJNVASSA-N 360.494 5.043 0 1 FKAF CC(=CC(=O)O)C=C(C)C=CC=C(C)c1c(Cl)c(O)cc(O)c1Cl 2356801085 RIEOALOJHFKURR-UHFFFAOYSA-N 369.244 5.341 0 1 FKAF CC(C)CCCCCCC[C@@H](O)CC(=O)N1CC=CC[C@@H]1c1cccnc1 2356821739 GEFWLZQQJKNTLU-FGZHOGPDSA-N 372.553 5.049 0 1 FKAF CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NCC(=O)O 8689966 SZHAEBFRVCBNCV-HZJYTTRNSA-N 365.558 5.781 0 1 FKAF CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 14255032 BEWFEAZQVVASGK-NSHDSACASA-N 358.290 5.308 0 1 FKAF CCOC(=O)c1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1 26646354 NRXVRNHRRJNYFV-UHFFFAOYSA-N 368.436 5.587 0 1 FKAF CCCCSCSC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28014715 WQIBDBVSAJGYND-TVWHRPDXSA-N 372.596 5.205 0 1 FKAF C(=C/c1nc2ccccc2o1)\c1ccc(OCCCCN2CCCC2)cc1 29479655 RNWBAZINVYSMKW-SDNWHVSQSA-N 362.473 5.253 0 1 FKAF CCCCCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40499124 MHABHCAJOQWEKI-SZMVWBNQSA-N 374.546 5.618 0 1 FKAF COc1ccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)cc1C 72109703 NMJRDHFLVAQYAL-UHFFFAOYSA-N 370.470 5.425 0 1 FKAF FC(F)(F)c1ccccc1-c1nsc(-c2ccccc2C(F)(F)F)n1 73224122 MPDMGOZKRDEWLI-UHFFFAOYSA-N 374.309 5.910 0 1 FKAF O=C(CCCCc1ccc(-c2ccccc2)cc1)OC[C@@H]1CCCCO1 84604409 PISSMKOPZHXRDK-QFIPXVFZSA-N 352.474 5.179 0 1 FKAF CC/C=C\CCSC[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 84688334 YDJGESKTURUXSO-RFWMAGLJSA-N 352.540 5.071 0 1 FKAF COc1ccc(C(c2ccccc2)(c2ccccc2)N2CCCCC2)cc1 84741205 LVPVXRBHNJFHTD-UHFFFAOYSA-N 357.497 5.473 0 1 FKAF CCCOc1ccc(-c2cc(O[C@@H](C)CN(C)C)c3ccccc3n2)cc1 96271008 QFXVHAARSCTVDY-KRWDZBQOSA-N 364.489 5.020 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1ccc(F)nc1 141038375 HSLRKIITGNGHCG-GBOSRWDWSA-N 367.508 5.538 0 1 FKAF Cc1cc(C)c2[nH]ccc2c1CN1CCCC[C@H]1c1ccc(C(=O)O)cc1 223141813 OTSLYLLOBTYVLP-NRFANRHFSA-N 362.473 5.210 0 1 FKAF Cc1cc2nc([C@@H](C)SCc3ccccc3)[nH]c2cc1Br 586964049 TTWXRZQKHQGMQB-GFCCVEGCSA-N 361.308 5.628 0 1 FKAF COc1cc(-c2nc3ccc(F)c(C)c3[nH]2)cc(Cl)c1OCC(C)C 587045637 AITULCGXNCMPJY-UHFFFAOYSA-N 362.832 5.374 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587062433 SOPLSFOHHJLXMO-LBPRGKRZSA-N 366.751 5.068 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587068896 FNPYJECNMRHLJK-LBPRGKRZSA-N 355.869 5.285 0 1 FKAF FC(F)(F)Sc1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 587083940 DOVBYUUXLCQJAZ-UHFFFAOYSA-N 369.799 5.303 0 1 FKAF Cc1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cc1C 587158091 DYCFLTVYINIRSZ-UHFFFAOYSA-N 356.404 5.325 0 1 FKAF CCCCCC[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587207187 JPESENVPQUSFNL-INIZCTEOSA-N 355.481 6.446 0 1 FKAF O=C(c1ccc(Br)cc1Cl)c1coc2ccc(Cl)cc12 587275911 HTYIHYRXYLNXIH-UHFFFAOYSA-N 370.029 5.733 0 1 FKAF CC[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349623 GHTBFOQDCVASHU-PDXHDDNESA-N 354.421 5.229 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)C(=O)CC3)c1 587366297 KQTKVXPBIGAOHO-UHFFFAOYSA-N 371.436 5.450 0 1 FKAF COc1cccc(-c2c(C[C@H]3CCCO3)cnc3c2oc2ccccc23)c1 587366348 OEYUCRZLVJQVTQ-GOSISDBHSA-N 359.425 5.378 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(/C=C\c4ccccc4)cc1)[C@@H](C2)C3=O 587445750 OAZKYLMEBDCJCR-UDENOZGOSA-N 368.432 5.354 0 1 FKAF CC[C@@]1(c2ccc(Cl)c(N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508775 SXVXKAOFVOIHNA-NRFANRHFSA-N 355.865 5.072 0 1 FKAF COc1cccc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)oc12 587532612 MBGXAUXYWRRMGB-QHCPKHFHSA-N 362.425 5.201 0 1 FKAF O=C1C[C@@]2(CCCc3c2sc2ccccc32)Oc2c1ccc1c2CCCC1 587534675 DOISRAVTVFGSRV-XMMPIXPASA-N 374.505 5.977 0 1 FKAF CC/C=C/CCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601155 FGIKFWCLFVAGKT-XCJDPYLSSA-N 352.430 5.249 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3F)c(-n3cncn3)c2c1 587639928 ASBMRJZXBILJBZ-LBPRGKRZSA-N 352.388 5.207 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2c1 587643259 SLYWXCVPUFXUCE-HNNXBMFYSA-N 370.537 6.104 0 1 FKAF C(=C/c1ccccc1)\COCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587781307 STVWXWKQNOBISZ-JXMROGBWSA-N 356.425 5.585 0 1 FKAF Cc1ccc(C)c(C[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587821903 YPEDPGYXJJMEEJ-BFUOFWGJSA-N 362.286 5.023 0 1 FKAF Cc1cc(C)c(/C=C2\C(=O)Nc3cc(-c4ccc5ccccc5n4)ccc32)[nH]1 653762383 PRSODPLQHGPZHD-UYRXBGFRSA-N 365.436 5.339 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccsc2Br)N1 962944932 GHBUTRGMRVDCEI-BMIGLBTASA-N 361.308 5.006 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]21CCC[C@@H]1c1ccccc1Cl 963099622 PMNKVFJMXOMXHV-UCNVEGJOSA-N 355.884 5.663 0 1 FKAF Cc1noc(C)c1-c1cc(-c2c(C3CC3)n[nH]c2C)c2[nH]c(C3CC3)nc2c1 1857554297 MHCNUSUVPSSPQA-UHFFFAOYSA-N 373.460 5.288 0 1 FKAF Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4ccccc4n3)cc2)c(Cl)n1 1857642826 IAZNHJQOMIUIGX-UHFFFAOYSA-N 374.827 5.624 0 1 FKAF CC(=CC=C[C@H](C)C(=O)O)CCC1=C(C)CC[C@H]2C(C)(C)CCC[C@@]12C 2356386526 MCGZTMASYFHHQZ-PTLVVNQVSA-N 358.566 6.933 0 1 FKAF COc1ccc2c(c1)O[C@@H](c1ccc(O)cc1)C[C@H]2C=Cc1ccc(O)cc1 2356612003 RDUYMQQGTUMXQZ-WZONZLPQSA-N 374.436 5.427 0 1 FKAF CC(=O)O[C@@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)CCC[C@H]32)C1 2356646779 PISMGMNRZZPIQZ-CXJHFUFTSA-N 360.538 5.310 0 1 FKAF C=CC[C@@]1(C#N)C(=S)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccccc1 783184 WFWLVRWYFJLEGN-RXVVDRJESA-N 350.487 5.270 0 1 FKAF CCCc1cc(C(=O)CC)cc(CCC)c1O[C@@H](C(=O)O)c1ccccc1 12358574 BMPWRPJAGOEYLP-JOCHJYFZSA-N 368.473 5.389 0 1 FKAF CC(C)c1ccc(O[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1 13604727 XTOWWXHIFFLTID-KRWDZBQOSA-N 353.245 5.192 0 1 FKAF CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(C)cc1-2 13813984 AYLSJCSPOZOCFK-UHFFFAOYSA-N 350.546 7.538 0 1 FKAF Cc1cc(C(=O)c2c(N)sc3c2CCCC3)cc2ccc(Cl)cc12 27888934 IJSLJLBKWZMSTA-UHFFFAOYSA-N 355.890 5.555 0 1 FKAF c1ccc(Nc2nc(-c3ccccc3)nc3sc4c(c23)CCCC4)cc1 39202820 LGVDXYIKZMIBLQ-UHFFFAOYSA-N 357.482 5.981 0 1 FKAF C[C@@H](OC(=S)Nc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 40895757 KPLXGVZRWRNAFM-OAHLLOKOSA-N 367.901 6.482 0 1 FKAF Cc1[nH]c(C)c(-c2ccc(OCc3ccc(F)cc3)cc2)c(=O)c1Cl 45201949 ZTQPISVEMGJVIY-UHFFFAOYSA-N 357.812 5.030 0 1 FKAF COc1ccccc1-c1cc(=O)c2c(OCc3ccccc3)cccc2o1 96923259 VODMFFYJJSUFCE-UHFFFAOYSA-N 358.393 5.048 0 1 FKAF CCOC(=O)c1sc2c(c1C)[C@H](c1cccs1)C1=C(O)CCCC1=N2 102710454 ZYQDQCQYVMWGED-INIZCTEOSA-N 373.499 5.509 0 1 FKAF CC(=O)OC(C)(C)[C@H]1CC/C(C)=C/CC/C(C)=C\CCC2=C[C@@H]1OC2=O 169290355 JRHSHBMAWLBQTD-GUVYCFEUSA-N 360.494 5.043 0 1 FKAF CC[C@@]12C=C(/C=C/c3ccccc3)[C@](CC)(C1)[C@@H](c1ccccc1)CC2=O 169298586 NLQQTNRSVHYIMW-IVGLKDKZSA-N 356.509 6.579 0 1 FKAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]1CCCC[C@]12C(C)=O 169655264 ANEXZHRJDDAKCN-CDXAVQHRSA-N 366.545 5.927 0 1 FKAF N#Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cn1 206117281 AMEBLKGLMUAGQT-UHFFFAOYSA-N 364.330 5.182 0 1 FKAF CCOC(=O)Cc1ccc2nc(-c3c(C)cccc3-c3ccccc3)[nH]c2c1 586880106 YNONWIDLBNVAKK-UHFFFAOYSA-N 370.452 5.311 0 1 FKAF O[C@@H]1C[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)c2ccccc21 586904437 UAWPWTZHLFWKIJ-GHTZIAJQSA-N 358.466 5.283 0 1 FKAF Cc1ccc(-c2nc(-c3nc4ccc5c(c4[nH]3)CCCC5)c(C)s2)cc1 587012884 MTZYNCAOSWTLLG-UHFFFAOYSA-N 359.498 5.849 0 1 FKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2cc3ccccc3cc2[nH]1 587051884 UYMJAZBOKVQLIL-KGLIPLIRSA-N 353.252 6.294 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587113535 MSKBVBYKSPMOMN-VIFPVBQESA-N 373.300 5.342 0 1 FKAF Cc1ccc(-c2csc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)c(C)c1 587414827 WFFFHHILIYTFRZ-IBGZPJMESA-N 364.470 5.024 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(SC)c(F)c1)CC2=O 587466171 KEXWZFIYTGKFFM-FQEVSTJZSA-N 360.450 5.086 0 1 FKAF C[C@@H](CC[C@@H](C)CC(C)(C)C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527958 XYIRPJFYMNNTFW-JLHGSKIFSA-N 356.550 6.388 0 1 FKAF CC[C@]1(c2ccsc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613196 MSVGUHBOIPSXLF-GHTZIAJQSA-N 366.438 5.029 0 1 FKAF Cc1c(-c2ccc(Br)cc2F)[nH]c2cc(Cl)c(F)cc12 587628783 AJWIIOVVFIIGEX-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)cc1 587630081 QOKXUPMLRLTKGA-UHFFFAOYSA-N 355.718 5.681 0 1 FKAF CCOC(=O)c1c(-c2ccc(F)c(Cl)c2)[nH]c2ccc([C@@H](C)CC)cc12 587641525 JZCNJSWEZZXSJH-LBPRGKRZSA-N 373.855 6.318 0 1 FKAF CCCCCC[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587812925 LZYAOKZZRGGKHN-FZKQIMNGSA-N 356.323 5.698 0 1 FKAF CCC[C@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587844448 ALDCCYAAXPOQHH-GTNSWQLSSA-N 368.315 5.228 0 1 FKAF CC[C@@H](OC(=O)c1ccccc1)c1nc(-c2ccc(SC)cc2)cs1 587925122 OMMQKAXBGRSSOY-GOSISDBHSA-N 369.511 5.840 0 1 FKAF c1ccc(Oc2ccccc2Cc2nc3ccc4c(c3[nH]2)CCCC4)cc1 587949206 BBRSEFIHFBMCBM-UHFFFAOYSA-N 354.453 5.825 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)([C@H](C)Oc2ccc(F)cc2F)N1 962957193 NXMSREDFCKKVSO-IEROGBPDSA-N 370.443 5.053 0 1 FKAF Cc1sc2c(c1C)CCN[C@]2(c1ccc(C(F)(F)F)cc1)C1CCC1 963009262 KZAFVDNMUISXOW-IBGZPJMESA-N 365.464 5.573 0 1 FKAF COc1cccc(-c2ccc([C@H]3c4ccc(F)cc4C[C@H]4CCCN34)cc2)c1 963096955 DZRADTJJNKESOH-RDGATRHJSA-N 373.471 5.611 0 1 FKAF COc1ccc(-c2ccc(C)cc2)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772605854 JNTPTMUTDKHKAK-GOSISDBHSA-N 367.470 5.042 0 1 FKAF Cc1c(Sc2cccc(C(=O)O)c2)c2ccccc2n1-c1ccccc1 1772627331 HKVXFVNQSZBSCM-UHFFFAOYSA-N 359.450 5.788 0 1 FKAF C[C@@]12C=C(C=Cc3ccc(F)cc3)[C@@](C)(C1)[C@@H](c1ccc(F)cc1)CC2=O 1857622722 MLERNJKRLAOFMP-GMKZXUHWSA-N 364.435 6.077 0 1 FKAF CC1=C(C)CCCCCOC(=O)c2ccccc2C(=O)OCCCCC1 2356329457 FMTPMYQMVQQHIX-UHFFFAOYSA-N 358.478 5.471 0 1 FKAF CC1=CC[C@]2(C)CC[C@]3(C)CCC(C)(C)[C@H](O)[C@@H]3[C@@H]2CCC(C)=CCC1 2356378051 ULDBXMRKZUJJOC-YBGCIBKWSA-N 358.610 7.063 0 1 FKAF COc1ccc(-c2cnc3cnc(-c4cccc(C(C)C)c4)cn23)cc1OC 2382249736 QMYKGEFQYYVHCJ-UHFFFAOYSA-N 373.456 5.204 0 1 FKAF Fc1ccc(-c2sc(-c3cccs3)cc2Cc2cccs2)cc1 1857707 PKCBGENNGWMGRO-UHFFFAOYSA-N 356.512 6.935 0 1 FKAF CC[C@@]1(c2ccccc2)Sc2cccc(Cl)c2-n2cccc2C1=O 5846246 OKAFEYOTXFKGMK-FQEVSTJZSA-N 353.874 5.725 0 1 FKAF CN(Cc1ccc(C(=O)c2ccccc2)cc1)Cc1cccc2ccccc12 6437551 IRCAVBUUERHACF-UHFFFAOYSA-N 365.476 5.703 0 1 FKAF CCc1ccc([C@@H](COC(=O)c2ccccc2)OC(=O)c2ccccc2)cc1 15205520 YFWVCTJXZMJXIK-JOCHJYFZSA-N 374.436 5.004 0 1 FKAF biogenic CSc1ccc([C@H]2CN3CCC[C@@H]3c3c(Br)cccc32)cc1 26672950 MPPAAPYUXHGYGD-SJLPKXTDSA-N 374.347 5.453 0 1 FKAF C1=Nc2ccccc2C1=C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 34079307 ALYLUFTWTDPILH-UHFFFAOYSA-N 359.432 6.324 0 1 FKAF biogenic C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 58666234 UNJQRCXVHBZVTM-IRMOCQOCSA-N 351.534 5.479 0 1 FKAF CC1(C)CC(CCNc2cccc(Cl)c2)(c2ccccc2)CC(C)(C)N1 72109925 PEELMLVGDREGLX-UHFFFAOYSA-N 370.968 6.021 0 1 FKAF CC1(C)C[C@@](CC(=O)Nc2cccc(Cl)c2)(c2ccccc2)CCO1 72112157 XFPGARTWKWFLIZ-OAQYLSRUSA-N 357.881 5.196 0 1 FKAF CC(C)(C)c1ccc(-c2nsc(-c3ccc(C(C)(C)C)cc3)n2)cc1 73223126 XANZXNZYMWKKSF-UHFFFAOYSA-N 350.531 6.467 0 1 FKAF Cc1ccccc1SC[C@@H](O)Cn1c(-c2ccccc2)cc2ccccc21 84687874 JFXIKLQWFZYNPT-NRFANRHFSA-N 373.521 5.770 0 1 FKAF FC(F)(F)c1ccc([C@]2(OCc3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1 101300664 MYNMNBPZOKCPBO-ACDBMABISA-N 361.407 5.032 0 1 FKAF CCCCCc1ccc([C@H]2COC(c3c(F)cccc3F)=N2)c(OCC)c1 103287979 FAZZZILTJPBQPS-LJQANCHMSA-N 373.443 5.614 0 1 FKAF Cc1cc(C)cc(-c2cc([C@H](O)C[C@H]3CCCCN3)c3ccccc3n2)c1 169334845 LESUFCJHGHVDIG-NTKDMRAZSA-N 360.501 5.084 0 1 FKAF O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCc2ccc3ccccc3c2O1 169348141 CEQBRDWDKFXCQK-GOSISDBHSA-N 371.358 5.191 0 1 FKAF Cc1ccccc1[C@H](C[C@@H](N=O)c1ccncc1)c1ccc(N(C)C)cc1 169730245 PJPNDEXWHMPNBM-DHIUTWEWSA-N 359.473 5.486 0 1 FKAF CCCC/C=C/CCCCCCCCCCCc1cccc(O)c1C(=O)O 214361598 KFSFAHOBWUACJO-AATRIKPKSA-N 374.565 7.280 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(Cl)cc(C)c3[nH]2)c1 586879017 NYCYGIGBVPLNFN-UHFFFAOYSA-N 374.871 6.040 0 1 FKAF COc1cc(/C=C/c2nc3c(C)nccc3[nH]2)cc(Cl)c1OCC(C)C 587046832 MYZCXHJTXDJOIN-AATRIKPKSA-N 371.868 5.134 0 1 FKAF Fc1cc2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2cc1C(F)(F)F 587074434 AEUMFWINABCWMK-UHFFFAOYSA-N 368.761 5.844 0 1 FKAF O=C1c2ccccc2-c2cc(CCOCc3ccccc3)nc3cccc1c23 587106174 INKPSSHWGIJDAY-UHFFFAOYSA-N 365.432 5.206 0 1 FKAF CCSc1ccccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587208642 CWJSQHJOWGMKME-UHFFFAOYSA-N 367.473 6.225 0 1 FKAF Cc1cc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2cc1Cl 587243865 JRYNQCITOZCFNE-UHFFFAOYSA-N 361.832 5.444 0 1 FKAF CC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352884 KEAWBCAAVLLYAV-FYYLOGMGSA-N 362.400 5.196 0 1 FKAF CC(C)CCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358950 ZCUGHKVEVYCPPK-IRLDBZIGSA-N 356.437 5.475 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C2CC2)CCC3)c1 587367778 VKXISCZVRPUOOJ-GOSISDBHSA-N 369.464 6.487 0 1 FKAF CCOc1cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(C)C 587399489 KHMQPIFBEDQEON-OAQYLSRUSA-N 353.462 5.114 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(Cl)c1O)CC2=O 587461216 RDTBRLHLNIISBP-MRXNPFEDSA-N 367.228 5.064 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1C[C@H]1c1ccccc1Cl)CC2=O 587463782 ZTTFGEFDMIWTIQ-JKSBSHDWSA-N 370.876 5.526 0 1 FKAF C[C@H]1Cc2cc(Cl)ccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587497926 CFHQKZWFMBEGKU-WHEQGISXSA-N 352.861 5.272 0 1 FKAF COc1ccc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 587525005 OKHYQZHTMVTKRE-VWLOTQADSA-N 372.464 5.608 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(Br)c(F)c1 587629265 HJJPRUJIQAYABH-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2cccc(Cl)c2)N1 587704073 RUNBOMPNMVQCGS-BONVTDFDSA-N 368.677 5.060 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 587779900 JFPUQBIDLJNXDM-UHFFFAOYSA-N 366.823 6.088 0 1 FKAF COc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587784305 POHQMAJQVPTIME-ZROIWOOFSA-N 356.425 5.321 0 1 FKAF Cc1cccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)[nH]c12 587806798 VUWNMVFHHBLBHB-WYRIXSBYSA-N 373.269 5.002 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C23CCC(CC2)CC3)N1 587815796 QHOSOXZQTDEPAN-RBNSSNJBSA-N 366.318 5.308 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCc3ccccc32)N1 587819183 HGFLOBNINTZHAB-CBLJQSSYSA-N 374.297 5.284 0 1 FKAF CC(C)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587821183 SVUVDKKTNMALLV-HXPMCKFVSA-N 362.286 5.335 0 1 FKAF COc1ccc(C2(c3nc4cc(F)c(F)c(F)c4[nH]3)CC3(CCC3)C2)cc1 587934576 DHTUQVMAHXCQNW-UHFFFAOYSA-N 372.390 5.239 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 587958972 IXODZBYSPMEKAN-UHFFFAOYSA-N 368.267 5.831 0 1 FKAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2cnc(-c3ccncc3)s2)cc1 962671171 WRRKURGCTCLRON-QFIPXVFZSA-N 369.493 5.107 0 1 FKAF O=C1CC2(CCCCC2)C[C@@]2(C1)NCCc1cc(-c3ccccc3)ccc12 962672450 YEXHKHMSCKJCGE-RUZDIDTESA-N 359.513 5.398 0 1 FKAF COc1cc(-c2cccn2-c2cccc3ccccc23)cc(OC)c1OC 2382216707 SNHHBAGWAKUCLI-UHFFFAOYSA-N 359.425 5.323 0 1 FKAF CN1[C@H]2CC[C@@H]1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 1660259 USTUNSNQMDWSMK-WKRVNPTQSA-N 371.471 5.334 0 1 FKAF O=C1C[C@@H](c2ccc(Br)cc2)c2c(ccc3ccccc23)N1 2481247 OXCAGTMRXFZULD-INIZCTEOSA-N 352.231 5.076 0 1 FKAF aggregator COc1ccc(Nc2nc(N(C)c3ccccc3)c3ccccc3n2)c(C)c1 13742299 VVJBSTDBCMDOHE-UHFFFAOYSA-N 370.456 5.458 0 1 FKAF COc1ccc(-c2c(C)[nH]c(-c3ccccc3)c2-c2ccccc2)c(OC)c1 26026292 LOMUGSYHPCBHAK-UHFFFAOYSA-N 369.464 6.341 0 1 FKAF CCC(=O)c1ccc(Nc2c3ccccc3nc3c2c(C)nn3CC)cc1 29037858 HSQKUMGIOFHDRV-UHFFFAOYSA-N 358.445 5.249 0 1 FKAF CCCCCc1cc(O)c(C/C=C(/C)CCC=C(C)C)c(O)c1C(=O)O 34065363 SEEZIOZEUUMJME-VBKFSLOCSA-N 360.494 5.764 0 1 FKAF in-vitro Clc1ccc([C@@]2(CC3CCOCC3)c3ccccc3-c3nccn32)cc1 72109326 FJLYFOIFDICQSM-QFIPXVFZSA-N 364.876 5.126 0 1 FKAF O=C(CCCCCCc1nc(-c2ccccc2Cl)no1)C(F)(F)F 141515161 KNVWEOVHLXUVPP-UHFFFAOYSA-N 360.763 5.014 0 1 FKAF Cc1ccc(-c2cc(Nc3nnc(-c4ccc(O)cc4)s3)cs2)cc1 169350794 COZAYJCNNAYMDZ-UHFFFAOYSA-N 365.483 5.691 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NC(C)(C)CC 231934343 LWMKFJMMWYARBR-OEOXXNNKSA-N 373.625 7.437 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CC[C@@H](C)C(=O)NCCC 231934473 SVGIWYPVOLFGAQ-XCGAHZEVSA-N 359.598 6.904 0 1 FKAF CCCC(Br)(CCC)c1nc2ccc(C(C)(C)C)nc2[nH]1 586971199 OSZWARHEEYWAJW-UHFFFAOYSA-N 352.320 5.446 0 1 FKAF CCc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1Br 586976080 CHGOFCOOWQKPCS-UHFFFAOYSA-N 370.077 5.862 0 1 FKAF CC(C)[C@H]1CCc2nc3ccc(O)c4c3c(c2[C@H]1C)-c1ccccc1C4=O 586990023 HXFQZRWUJXAGKO-UONOGXRCSA-N 357.453 5.474 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 587036460 BVQFAVTWWJLMNZ-GFCCVEGCSA-N 372.799 5.153 0 1 FKAF c1ccc(Sc2ccc3nc(Cc4csc5nccn45)[nH]c3c2)cc1 587040852 SMJFFQJKRMFWHO-UHFFFAOYSA-N 362.483 5.014 0 1 FKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 587076231 RLHUFFRFRRMBJU-UHFFFAOYSA-N 362.864 5.256 0 1 FKAF FC(F)(F)[C@](F)(Cl)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587090808 YHIYWMNLLKRCLK-AWEZNQCLSA-N 360.763 5.638 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)C2)c1 587131586 OYMSVRWVZXOCNV-UHFFFAOYSA-N 370.296 5.602 0 1 FKAF Cc1cc(Br)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1F 587137820 NDGSVFPDCNBTRX-UHFFFAOYSA-N 374.040 5.747 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1F 587150399 DEZAMRPCGSHYOZ-NXEZZACHSA-N 372.724 5.784 0 1 FKAF COc1cc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2cc1C 587247888 WQGUZJXLGNVBOJ-UHFFFAOYSA-N 373.456 5.295 0 1 FKAF CC[C@@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353512 LDPFRESOFHGUDK-GGAORHGYSA-N 368.448 5.619 0 1 FKAF CCCOc1c(C)cc(C)cc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587478302 FOBRUFOXRPJFLV-OAQYLSRUSA-N 368.473 5.457 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CCC(C)C)(c1ccccc1)CC2=O 587479314 DAUCBFPTTJVJKY-QHCPKHFHSA-N 352.474 5.642 0 1 FKAF CCc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)oc2ccc(C)cc12 587529810 DVIIAVDMMNBCKN-RUZDIDTESA-N 374.480 6.063 0 1 FKAF CSc1ccc2c(c1)[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587533216 RGTXUYBLFFTCHI-QFIPXVFZSA-N 350.483 5.094 0 1 FKAF CC(C)=CCC[C@H](C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603735 RFIGUWPEBLUDIK-VQPPSCEASA-N 352.430 5.105 0 1 FKAF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c2ccccc12 587802844 NXIXLJJEFOKYGI-DGIBIBHMSA-N 373.269 5.002 0 1 FKAF CC[C@@]1(CCCC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814531 TXTSYLJAVNEWLI-ACJLOTCBSA-N 356.323 5.554 0 1 FKAF C/C(=C/c1ccccc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815180 KKYFDESODJEERR-MMGHULSSSA-N 374.297 5.441 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2CCCCCC2)N1 587820941 RJPJYUGWSFFYHY-KPZWWZAWSA-N 354.307 5.308 0 1 FKAF C/C=C(/c1ccccc1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587821759 XNAPQPYFVBHXIL-SRNUCEPXSA-N 360.270 5.267 0 1 FKAF CCCC/C=C\c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 587964818 CNSYCRZXOCQIMF-SREVYHEPSA-N 350.418 5.345 0 1 FKAF Cc1ccnc([C@]2(c3ccccc3Cl)NCCc3c2sc(C)c3C)c1 963018140 DZKZRCWRVKCYFO-NRFANRHFSA-N 368.933 5.159 0 1 FKAF COc1ccc([C@H]2C[C@](O)(c3ccccc3)Oc3cc(C)cc(C)c32)cc1 13830659 XDWDFCAXTGHAQC-ZJSXRUAMSA-N 360.453 5.072 0 1 FKAF CC(C)c1ccc(O[C@@](C)(Cc2ccc(Cl)c(Cl)c2)C(=O)O)cc1 27527227 XVEADQDIGADYQP-IBGZPJMESA-N 367.272 5.582 0 1 FKAF CC(C)COC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27556251 VWCLCSNGYMXSLD-DJIMGWMZSA-N 360.519 5.084 0 1 FKAF CCCCCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27557350 MHABHCAJOQWEKI-NXHRZFHOSA-N 374.546 5.618 0 1 FKAF CCc1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)cc1 28221749 OYFMHLVBUQOKSO-UHFFFAOYSA-N 360.479 5.039 0 1 FKAF O=C(O)/C=C/c1ccccc1/C=C/Cc1ccccc1OCc1ccccc1 28332631 QLPYXMVIADXXGK-LEOYLKIESA-N 370.448 5.619 0 1 FKAF CC[C@H](C)[C@]1(O)CCN2C[C@@H](c3ccc(Cl)cc3Cl)CC[C@@H]2C1 29465478 BKZOLASRWKQNOE-BFIPOCKSSA-N 356.337 5.112 0 1 FKAF CC(C)(C)c1ccc2nc(-c3n[nH]c4ccc(Br)cc34)[nH]c2c1 63540322 VBLSURYSSDEOBD-UHFFFAOYSA-N 369.266 5.166 0 1 FKAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(OCc3ccccc3)cc21 144776162 YKJPJDDFSVOLDE-FQEVSTJZSA-N 356.343 5.044 0 1 FKAF CC(C)=CC/C=C(\C)[C@@H]1C/C=C(/C(=O)O)CC/C=C(\C)CC/C=C(\C)CC1 238778288 MQBDHUKRLXQNQC-CDOLUWMCSA-N 370.577 7.553 0 1 FKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(O)cc2)C1 299826827 FCAZOFQHVOLPOG-KRWDZBQOSA-N 363.288 6.053 0 1 FKAF O=C1O[C@H](c2ccccc2Cl)CC(O)=C1Sc1ccccc1Cl 299834263 LDHNBRXISLENQX-AWEZNQCLSA-N 367.253 5.543 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(C)c(Br)ccc4[nH]3)cc2)o1 586904009 XMBHFCMEHXYRLV-UHFFFAOYSA-N 367.246 5.869 0 1 FKAF Cc1c(Cl)ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587063060 MFIOPZAZVJGTQN-UHFFFAOYSA-N 367.279 6.436 0 1 FKAF CC(C)c1c(-c2cccnc2)nc2cccc3c2c1-c1ccccc1C3=O 587107772 UHXZWMGSMWUZPJ-UHFFFAOYSA-N 350.421 5.632 0 1 FKAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc3ccccc3cc2[nH]1 587120782 GCUOISMRKXURLB-UHFFFAOYSA-N 370.256 5.144 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(Br)cc(F)c2[nH]1 587154242 ANJQVXXYGADYRV-CYBMUJFWSA-N 367.193 5.134 0 1 FKAF CCCc1c(COC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587361880 AAGKMTPZGMDVSI-UHFFFAOYSA-N 361.441 5.756 0 1 FKAF CC[C@H]1CCCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587365309 GNJXWUBTHWLNSZ-HNNXBMFYSA-N 357.453 6.487 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C2CCC2)C3)c1 587367857 YHFNOUMFLBYGBI-GOSISDBHSA-N 355.437 6.096 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(F)(F)F)c1C)CC2=O 587459008 CCZUEEQBZWVGOX-GOSISDBHSA-N 364.363 5.378 0 1 FKAF Cc1cc(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587502515 LGZKXWWSGQUGSI-IBGZPJMESA-N 371.274 5.343 0 1 FKAF O=C1C[C@@H](c2cnc(C3CCCCC3)s2)Oc2c1ccc1c2CCCC1 587534167 BGIBHKMFWAEYLQ-IBGZPJMESA-N 367.514 5.776 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cccc(C(=O)OC)c3[nH]2)c1 587779698 DOMZKJHCNMDKQW-UHFFFAOYSA-N 372.424 5.082 0 1 FKAF CC(C)=CCC[C@H](C)C[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821028 SGPWAVAIHZAOOR-NJSLBKSFSA-N 368.334 5.936 0 1 FKAF Cc1cc(C(F)(F)F)nn1CCc1nc(-c2cccc(Cl)c2)cs1 587920394 JSHWKRULNQNUKF-UHFFFAOYSA-N 371.815 5.230 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)Cc1ccc(C(F)(F)F)cc1 963225606 FMMTWPPVKFYBHC-KKSFZXQISA-N 361.451 5.820 0 1 FKAF C[C@@H]1CC[C@@H]2CC[C@@H]3C(=C[C@]4(C)[C@H](O)C[C@]5(C)CCC(C)(C)[C@@H]5[C@@H]34)[C@]12C 2356620593 YIPZSYQSAKRRRI-RBKMWCCKSA-N 356.594 6.218 0 1 FKAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356632761 RPKLZQLYODPWTM-NKAARRPJSA-N 360.582 6.536 0 1 FKAF C[C@H](C=CC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 2356791367 GPCPYOKNADTDDL-RSLLPTATSA-N 354.490 5.141 0 1 FKAF CCCC[C@@H]1C[C@H](CC)OC(=O)[C@@H]1CCCOC(=O)c1ccccc1C 2356851211 QFDPSZWFISIFKH-WSTZPKSXSA-N 360.494 5.080 0 1 FKAF CCc1c(-c2ccccc2OC)ncn1Cc1cccc(-c2ccccc2)c1 95564640 STBCIQLIKZYDMC-UHFFFAOYSA-N 368.480 5.836 0 3 FKAF CNCC[C@@H](Oc1cccc2ccccc12)c1cccc(C(F)(F)F)c1 13588066 NRBVOOUZUSJEKA-LJQANCHMSA-N 359.391 5.588 0 1 FKAF COc1ccc(C[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 33493891 SEFBCLQOSKLKJN-OAHLLOKOSA-N 361.272 5.225 0 1 FKAF C[C@H](OC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 39310193 MVMZWHAHBIJEDT-VIFPVBQESA-N 350.205 5.179 0 1 FKAF in-vitro FC(F)(F)c1cnc(Nc2nc(-c3ccccn3)cs2)c(Cl)c1 40916634 JZFSHWNLSKVTCR-UHFFFAOYSA-N 356.760 5.016 0 1 FKAF CCCc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1C[C@H](C)CC 82188767 FYLIQAVKTYXZGH-SJORKVTESA-N 365.525 5.041 0 1 FKAF CCc1c(C(=O)NCCc2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12 84671682 XNNGJUPVGNOYRC-UHFFFAOYSA-N 361.272 5.010 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(Cl)c3)c2)cc1 95556224 LOBZVTJKGDOOIA-UHFFFAOYSA-N 357.840 6.442 0 1 FKAF Cc1ccc([C@H](C[C@@H](N=O)c2ccncc2)c2ccc(N(C)C)cc2)cc1 169730237 MITMTGJJFPFSEA-XZOQPEGZSA-N 359.473 5.486 0 1 FKAF Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3c(cc12)CCCCC3 197699491 FYFBSTQRUXMRMQ-UHFFFAOYSA-N 371.893 5.053 0 1 FKAF CC(C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C 255273615 VQSNHPSNPFDOJF-NDOPWWECSA-N 372.637 6.999 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@@]21C 255284957 YPUSVPPKDFWEHB-YHBCVUFFSA-N 374.653 7.079 0 1 FKAF C=Cc1ccc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)cc1 586880114 CNIZQMGYKFRPHK-UHFFFAOYSA-N 371.278 5.670 0 1 FKAF Cc1ccc(-c2nc(-c3nc4ccc(Br)c(C)c4[nH]3)cs2)o1 587017450 LOWLKOLFEUMDCB-UHFFFAOYSA-N 374.263 5.326 0 1 FKAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2ccc3ncccc3c2[nH]1 587047732 BHCWORIEHVKDRK-NEPJUHHUSA-N 354.240 5.689 0 1 FKAF O=C(Nc1ccccc1Cl)c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 587060933 WWHLBPTULGRAIP-UHFFFAOYSA-N 374.149 5.141 0 1 FKAF Cc1cc(F)c2nc(-c3noc(C)c3COc3ccc(Cl)cc3)[nH]c2c1 587076862 XLRBNMRACQTVBH-UHFFFAOYSA-N 371.799 5.206 0 1 FKAF CCc1c(-c2cc(C)sc2C)nc2cccc3c2c1-c1ccccc1C3=O 587209088 IRCCVIBIVSQPNV-UHFFFAOYSA-N 369.489 6.354 0 1 FKAF CCC1CCC(C2CCC3(CC2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)CC1 587448098 YNFHDZHRYJWFOX-XOQVKLMPSA-N 368.517 5.588 0 1 FKAF CCCc1c(O)ccc2c1OC(c1ccc(C)o1)(c1ccc(C)o1)CC2=O 587478503 HRMRWGXUNNITBA-UHFFFAOYSA-N 366.413 5.057 0 1 FKAF C[C@]1(c2ccc(OCCCF)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504671 JTQPHXGHEKPGAK-HSZRJFAPSA-N 368.448 5.184 0 1 FKAF O=C1C[C@@H](CCc2cccc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587510036 VTJVBTLXPNCGLW-QGZVFWFLSA-N 374.402 5.551 0 1 FKAF Cc1cccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512156 LMBCDUXUPNYQFI-HSZRJFAPSA-N 357.453 5.371 0 1 FKAF Cc1nc(C(C)C)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587531472 KVFNWPAGJLAISX-OAQYLSRUSA-N 355.503 5.334 0 1 FKAF CC(C)(C)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)C(F)(F)C(F)(F)F 587630101 RLDVVUTZADKGKU-UHFFFAOYSA-N 371.708 5.638 0 1 FKAF Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-n2ccnc2C(C)C)cc1C 587638325 OEHZZNABWPVWAG-UHFFFAOYSA-N 373.456 5.459 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2cccc(Cl)c2)N1 587704074 RUNBOMPNMVQCGS-MEBBXXQBSA-N 368.677 5.060 0 1 FKAF Cc1ccc(/C=C/[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587816424 YAQPOTUUWXDHOY-MIMSMNLDSA-N 374.297 5.359 0 1 FKAF Cc1ccc([C@H](C)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587818743 JCIOTZXMZMRHBH-JMERFSKESA-N 362.286 5.276 0 1 FKAF CC1=C([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CC=C1 587824178 VBGOJQSJMPBMNR-SGTLLEGYSA-N 364.302 5.466 0 1 FKAF Cc1sc2c(c1C)CCN[C@@]2(C)c1csc(-c2ccccc2F)n1 963014100 SWJLNNNEZCUEIK-IBGZPJMESA-N 358.507 5.037 0 1 FKAF CC[C@H](C)[C@]1(c2ccccc2OC)c2ccc(F)cc2C[C@@H]2CCCN21 963106195 JVAHUILUCWRHOY-BTCOZLQPSA-N 353.481 5.145 0 1 FKAF Cc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(Cl)c(Cl)c2)cc1C 1772602187 MQJUURKFCUDHLB-DLBZAZTESA-N 363.284 5.185 0 1 FKAF COc1ccc(-c2ccc(-c3cc(=O)oc4cc(OC)ccc34)s2)cc1 1857572140 XYKRHLPNGPLGOR-UHFFFAOYSA-N 364.422 5.206 0 1 FKAF CC=C(C)C(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1CC=C1C=C(C(C)C)CC[C@@H]12 2356691642 RBSYKCMZHUVTOE-TVYALGDOSA-N 370.577 6.631 0 1 FKAF CC[C@@H](C)Oc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1 13682620 ASJKXLWMEDOKEV-CYBMUJFWSA-N 354.841 5.113 0 3 FKAF COc1cccc(-c2cc3c(Nc4ccc(OC)cc4C)nccc3n2C)c1 82083601 LIVKXIHRROWWSM-UHFFFAOYSA-N 373.456 5.310 0 3 FKAF CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)NC2CCCCC2)cc1 2483334 MGQHRHKCTBTFGV-UHFFFAOYSA-N 368.521 5.825 0 1 FKAF CCOC(=O)c1sc(SC)cc1-c1ccc(Br)cc1 6403628 QOXLJPUDQOTAJN-UHFFFAOYSA-N 357.294 5.076 0 1 FKAF O=C(Nc1ccc(Cl)cc1)N1CCCC[C@@H]1C12CC3CC(CC(C3)C1)C2 6535906 PCDXWSAVBFDKCU-ILYDUKKLSA-N 372.940 5.943 0 1 FKAF COc1ccc2nc3n(c2c1)[C@@H](c1c(Cl)cccc1Cl)SC3 13161893 CNSSBTHBGFLIDJ-MRXNPFEDSA-N 351.258 5.145 0 1 FKAF O=C(c1cccc2ccccc12)c1cn(C[C@H]2CCCCN2)c2ccccc12 13781971 ACDWUXBEEILJEI-LJQANCHMSA-N 368.480 5.168 0 1 FKAF CCCCC[C@H](c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 22941628 JQEVLYWMVMKITJ-FSSWDIPSSA-N 356.941 5.736 0 1 FKAF CCC[C@H](C)C(=O)N1c2ccccc2-c2ccccc2[C@@H]1c1cccs1 40412208 DCTXKHYTXQFCET-KSFYIVLOSA-N 361.510 6.287 0 1 FKAF CC(C)COC(=O)[C@@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40499108 VWCLCSNGYMXSLD-XIRDDKMYSA-N 360.519 5.084 0 1 FKAF CC(C)CNCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1 40900836 YLMXYRPQVCWEQW-UHFFFAOYSA-N 374.484 5.057 0 1 FKAF CCCCOc1ccc([C@H](CC)NC(=O)Oc2ccc(OC)cc2)cc1 45336098 SOBJGOKNEOSMPL-FQEVSTJZSA-N 357.450 5.114 0 1 FKAF in-vivo COc1ccc(-c2oc3ccc(C)cc3c2C(=O)c2ccc(O)c(C)c2)cc1 72176871 DOZNCRXLDXWIHW-UHFFFAOYSA-N 372.420 5.662 0 1 FKAF CC1=C(CCCCCCCCCc2cc(O)ccc2O)C(C)(C)CCC1 82047248 AJSBQEUSHUTRLS-UHFFFAOYSA-N 358.566 7.288 0 1 FKAF CCCc1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1 82153986 MPKAPXJXRWOYLD-UHFFFAOYSA-N 361.554 5.623 0 1 FKAF CC1(C)CC2=Nc3ccc4ncccc4c3[C@@H](c3ccc(O)cc3)C2=C(O)C1 104052186 KDGPAYGKPHTJOL-OAQYLSRUSA-N 370.452 5.791 0 1 FKAF Cc1cccc2c1ccc1c3c(ccc12)[C@@](C)([C@@H](C)CCCC(C)C)CC3 111475550 KUPQKNLBQPAEEE-CCLHPLFOSA-N 358.569 7.968 0 1 FKAF biogenic CCCCN(CCCC)C[C@H](O)c1cnc2c(Cl)cc(Cl)cc2c1 169339248 PQLWHWLIMIMDRV-SFHVURJKSA-N 369.336 5.477 0 1 FKAF COc1cccc([C@H]2c3cc(C)ccc3Nc3c2c(=O)oc2ccccc32)c1 205090535 WJSQYBMDPBMSCD-NRFANRHFSA-N 369.420 5.347 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586886412 FZCJHISZSQYBJX-CJFMBICVSA-N 364.448 5.165 0 1 FKAF Clc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2nc1Cl 587051108 RWALETKTMWJFKD-RQJHMYQMSA-N 373.070 5.843 0 1 FKAF Clc1cccc(OCc2ccc(-c3nc4ccccc4[nH]3)o2)c1Cl 587054888 CXQCNUFOCCENEP-UHFFFAOYSA-N 359.212 5.709 0 1 FKAF Cc1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1C 587068855 AVPAMRHZLIVPRD-UHFFFAOYSA-N 362.860 6.079 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc5ccccc5c4)nc13)-c1ccccc1C2=O 587099644 QHHZOYVSSSZIOU-UHFFFAOYSA-N 371.439 6.575 0 1 FKAF Cc1nccc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587159051 LQEWGXSKCNTKNS-IBGZPJMESA-N 367.811 5.227 0 1 FKAF CCc1nc2c(s1)-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587208680 XFBXPJAFFQHEDF-UHFFFAOYSA-N 368.461 5.231 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccccc3)ccc1O)CC2=O 587487705 HTUMVENFSRDERT-HSZRJFAPSA-N 374.436 5.424 0 1 FKAF O=C1CC2(CC(c3ccc(Cl)cc3)C2)Oc2c1ccc1c2CCCC1 587498693 FYNKHNBAHDMHQU-UHFFFAOYSA-N 352.861 5.500 0 1 FKAF Cc1cc(Cl)cc2c1OCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587505139 YJHANXQTEIOHAR-QFIPXVFZSA-N 368.860 5.170 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)F)cc2)N1 587717958 MTXIDGDRYGYICG-FVMDXXJSSA-N 370.212 5.149 0 1 FKAF CC1=C[C@H](C)C[C@H]([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 587822211 JEFAXEUMBRGPHQ-UGQMMMICSA-N 352.291 5.156 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C3CCC3)cc2)N1 587823381 PISKERWDKCFVAC-YUNKPMOVSA-N 374.297 5.479 0 1 FKAF C(=C1C2CC3CC(C2)CC1C3)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587967988 RAEWGWVUFIVEPN-UHFFFAOYSA-N 370.496 5.981 0 1 FKAF Cc1cc(Cl)ccc1[C@H](O)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61907133 JAUPQKZLBDEGSJ-INIZCTEOSA-N 366.770 5.139 0 3 FKAF Cc1c[nH]c(C(=O)O)c1-c1ccc2c(-c3ccccc3)nc3ccccc3n12 1650885 HUBZYKDAGZQLFP-UHFFFAOYSA-N 367.408 5.156 0 1 FKAF COc1ccc(Oc2ccc3cc4c(cc3c2O)OCO4)c2cc(C)oc12 1660640 UUJIRNAGMIUKOM-UHFFFAOYSA-N 364.353 5.130 0 1 FKAF CCCCc1ccc(NC(=N)Nc2ccc(OCc3ccccc3)cc2)cc1 13780933 MFXMTABKUMGGPF-UHFFFAOYSA-N 373.500 6.067 0 1 FKAF CC[C@H]1CCCCCCc2c1oc(=O)c([C@H](c1ccccc1)C1CC1)c2O 27519764 LUYUQDXMYQYICI-OXJNMPFZSA-N 366.501 5.888 0 1 FKAF C[C@H]1CCC[C@@H](C)N1C[C@@H](O)CSC(c1ccccc1)c1ccccc1 28221573 OCNUIQXAVRCMGG-XQBPLPMBSA-N 369.574 5.133 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC=C2n1cnc2ccccc21 36487967 CBTDQYIKIJKOJN-HSGJQSDISA-N 370.496 5.749 0 1 FKAF Cc1ccccc1Sc1nc(C(Cl)(Cl)Cl)nc2ccccc12 84727922 SPKGQWFMXJNBLM-UHFFFAOYSA-N 369.704 5.916 0 1 FKAF CCCCSCSC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169366520 WQIBDBVSAJGYND-TXEDXMDUSA-N 372.596 5.205 0 1 FKAF CSc1ccc(Nc2nc(C3C4CC5CC(C4)CC3C5)c(C)s2)cc1 299819730 FGEQPGZDDOBZLS-UHFFFAOYSA-N 370.587 6.457 0 1 FKAF Fc1cccc(-c2nc3ccc(Nc4ccnc5ccccc45)cc3[nH]2)c1 299834459 YAHVZBHJJKTZPE-UHFFFAOYSA-N 354.388 5.661 0 1 FKAF CC1(C)COc2c(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cccc21 586912770 VPFNNEUWRCYAHR-UHFFFAOYSA-N 368.436 5.131 0 1 FKAF CCc1cc(OCc2nc3c(Cl)c(Cl)cnc3[nH]2)ccc1Cl 587052837 PDRBBCYMCPWWQI-UHFFFAOYSA-N 356.640 5.060 0 1 FKAF Cc1cnc(Cl)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c12 587073673 JIOQOBCOTLZFLD-UHFFFAOYSA-N 355.228 5.302 0 1 FKAF FC(F)(F)Oc1cccc(CSCc2nc3cccc(Cl)c3[nH]2)c1 587123416 IBXCTHSDOCDCMD-UHFFFAOYSA-N 372.799 5.548 0 1 FKAF COc1ccc(Cc2c(C3(O)CCCCC3)nc3cccc4c3c2CC4)cc1 587215352 GRHMJRLQXDYCBF-UHFFFAOYSA-N 373.496 5.085 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 587250545 LMQBOOGOXGLRNE-UHFFFAOYSA-N 353.347 5.498 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccccn1)(C1CCCCC1)CC2=O 587487239 DWCLZOJXTSYSNT-QHCPKHFHSA-N 365.473 5.181 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)Sc2ccccc21 587496140 RUMFETKCNKTFSA-ZSEKCTLFSA-N 354.471 5.090 0 1 FKAF CCOc1ccc2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520958 BUZOELFACXKHED-QHCPKHFHSA-N 372.464 5.824 0 1 FKAF CCCCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522432 LTJOFIDVGNHBBH-XMMPIXPASA-N 364.485 5.625 0 1 FKAF C[C@]1(c2ccccc2C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602637 KMZFPVMCYXPNEN-XUZZJYLKSA-N 372.420 5.147 0 1 FKAF Cc1ccc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587800134 AHROPKVINHUTLA-JEOXALJRSA-N 373.269 5.002 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(C)(C)C)CC2)N1 587816725 CAWUMUDMBNOMKD-RMQJPMRHSA-N 368.334 5.554 0 1 FKAF CC(C)=CCC[C@H](C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817248 AUECGTZFPJLMHM-ZJNRKIDTSA-N 354.307 5.546 0 1 FKAF CC(C)=CCC[C@@H](C)C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820931 RJCSXVAHAWKDLS-CPUCHLNUSA-N 368.334 5.936 0 1 FKAF CCC[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587845240 DALULYPWITWCLQ-PIGZYNQJSA-N 368.315 5.228 0 1 FKAF COc1cccc([C@H](C)Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587933026 YGJYHKAVDQSHJO-MRXNPFEDSA-N 370.452 5.149 0 1 FKAF Cc1cc2cc(OCCCN3CCCCC3)ccc2n1Cc1ccccc1 653719126 WQWQPXUADPOHPP-UHFFFAOYSA-N 362.517 5.253 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1ccc(C(F)(F)F)c(Cl)c1 963100791 JMDQZOWCKAIHHJ-KSSFIOAISA-N 369.789 5.608 0 1 FKAF CN1CCc2c(Br)cccc2[C@H]1Cc1ccc(C(C)(C)C)cc1 963279325 HEDDJQHBBVOBOY-HXUWFJFHSA-N 372.350 5.518 0 1 FKAF Oc1c(Br)cc(Cl)cc1-c1nc2ccc(Cl)cc2[nH]1 1857753647 KYONIRCQWCJFQX-UHFFFAOYSA-N 358.022 5.005 0 1 FKAF CC1=C[C@@H]2[C@@H]([C@H](OC(=O)C=Cc3ccccc3)CC(C)=CCC1)C2(C)C 2356477854 JYEVPOCBZDNGDL-XPNTWCBSSA-N 350.502 5.960 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356583102 JLMUUJZJXDLYNO-ODXGNPGDSA-N 368.605 6.695 0 1 FKAF COc1c([C@H](CC(C)C)OC(C)=O)ccc2oc3c(C=O)cc(C)cc3c12 2356803534 XFDOVRAXXFIUNS-IBGZPJMESA-N 368.429 5.366 0 1 FKAF COc1ccc(-c2noc3c2-c2nc(-c4ccccc4C)sc2CC3)cc1 12477726 IPVFDZWOERPEGW-UHFFFAOYSA-N 374.465 5.548 0 3 FKAF CCCCCCN[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 254047065 JCVJZIOPZNIDLZ-SQPISVFWSA-N 373.625 5.849 0 3 FKAF CN1CCC2(CC1)S[C@@H](c1ccc(Cl)c(Cl)c1)c1ccccc12 27880857 MDFWWOQSMCSSKP-SFHVURJKSA-N 364.341 5.751 0 1 FKAF C[C@H](CCc1ccccc1)Nc1cc(Oc2ccc3ccccc3c2)ncn1 82067600 JFGGXKZESVWMGM-GOSISDBHSA-N 369.468 5.855 0 1 FKAF C[C@H]1CCc2c(nc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)C1 103168668 NBXVRBUWBMRGAG-NSHDSACASA-N 357.379 5.023 0 1 FKAF Cn1s/c(=N/c2ccc(Cl)cc2)nc1-c1ccc(Cl)c(Cl)c1 103182773 JJWVAFLYYDNZEK-XDJHFCHBSA-N 370.692 5.341 0 1 FKAF COc1ccccc1COc1nnc(C)cc1-c1cccc(C(F)(F)F)c1 103189462 BYACCQPERBTZGV-UHFFFAOYSA-N 374.362 5.058 0 1 FKAF Cc1ccc([C@H](CC(=O)c2ccccc2)[C@H]2C(=O)Nc3ccccc32)cc1 103235994 AMEDOEDXLQMXOG-REWPJTCUSA-N 355.437 5.088 0 1 FKAF O=C(Cc1cccc(Cl)c1)Nc1nc2ccc(C(F)(F)F)cc2s1 169309118 OFFILALBDDWJHK-UHFFFAOYSA-N 370.783 5.150 0 1 FKAF CCCCN(CCCC)C[C@H](O)c1cc(C(C)(C)C)nc2ccc(C)cc12 169334958 AEFSNEMVBZLYCM-QFIPXVFZSA-N 370.581 5.776 0 1 FKAF CN(C)CCOc1ccc([C@H](c2cccs2)c2ccccc2F)cc1 299865758 ULVUIVOSVRTRBK-NRFANRHFSA-N 355.478 5.008 0 1 FKAF CC1(C)COc2c(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)cccc21 586911361 HOCXSUJGDPGRBM-UHFFFAOYSA-N 370.452 5.479 0 1 FKAF Fc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c(F)c1F 587051934 VNLSPPSFWTUNBI-RQJHMYQMSA-N 357.162 5.558 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587067183 XFHMRGDKXMWTTH-SECBINFHSA-N 372.749 5.823 0 1 FKAF Oc1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587074407 XAQKUUNMYNCMMI-JXAWBTAJSA-N 374.871 6.095 0 1 FKAF Clc1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c2ccccc2n1 587084647 FFFMKWMKUIJAED-UHFFFAOYSA-N 371.827 6.224 0 1 FKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ccc(Cl)nc3[nH]2)c1 587093736 RZFWJGUQNMSXNZ-UHFFFAOYSA-N 365.664 5.316 0 1 FKAF Cc1ccc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)c(O)c1 587102245 UHWNEAONPAPEFJ-UHFFFAOYSA-N 365.432 5.744 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]3c1ccc(F)cc1 587103346 FWABRWAMBDNVPI-GOSISDBHSA-N 351.380 5.273 0 1 FKAF FC(F)(F)c1cccnc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587108372 KMXIUGDUSFNHOE-UHFFFAOYSA-N 369.346 5.223 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCCc3ccc(Cl)cc31)CC2=O 587463215 SXNWGVKTESUDQW-QFIPXVFZSA-N 370.876 5.585 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C(F)(F)F)c1)CC2=O 587463915 DJTWTGQOPFAHLO-LJQANCHMSA-N 364.363 5.244 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1csc(-c3ccccc3)n1)CC2=O 587497332 VOQCZUWJQMGTEK-IBGZPJMESA-N 365.454 5.175 0 1 FKAF CC(C)(C)c1ccc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587507612 RNIIANQFGGUZIU-NRFANRHFSA-N 368.904 6.223 0 1 FKAF CCCCC(CCCC)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600918 DBXDWLCEIJNBJE-NZQKXSOJSA-N 368.473 5.719 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CC1CCCCCC1 587602395 JUPWMUQTDAGWIB-WOJBJXKFSA-N 352.430 5.083 0 1 FKAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)cc1C 587628816 QNDAYGGNMCBYEA-UHFFFAOYSA-N 369.745 5.827 0 1 FKAF CCc1c(-c2ccc(Cl)c(Br)c2)[nH]c2cc(F)ccc12 587632768 PBUGBVIJIMOMBK-UHFFFAOYSA-N 352.634 5.952 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(F)F)c2)N1 587712598 BIDYVQDYUJWQMF-XXFAHNHDSA-N 370.212 5.149 0 1 FKAF Cc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587814101 FXFLUZGQLFFRRL-BLVKFPJESA-N 362.286 5.003 0 1 FKAF CCc1cccc(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587817859 DZSJIYAGMBQWHJ-HXPMCKFVSA-N 362.286 5.083 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2CCCCCC2)N1 587817961 FTMWNVBOMFPIDP-XIKOKIGWSA-N 354.307 5.308 0 1 FKAF CC(C)[C@H]1CCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587818662 SCYUAWIOJLNZKL-FHSNZYRGSA-N 354.307 5.164 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(-c3ccc(O)cc3)s2)N1 962946320 LJFGGVVGQFHUIP-CMJOXMDJSA-N 374.509 5.616 0 1 FKAF CCCN1[C@H](c2nc(-c3ccc(C)cc3)cs2)c2ccccc2C[C@H]1C 963232128 CNJXSLJKKGMTBL-VGSWGCGISA-N 362.542 5.865 0 1 FKAF CC=C(C)C(=O)O[C@@H]1CC=C(C)CC[C@@H](C(C)C)[C@@H](OC(C)=O)C=C1C 2356663965 BNIDKQNFOZHCRT-HBMCJLEFSA-N 362.510 5.145 0 1 FKAF C[C@H]1C[C@H]1C=C[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 2356731110 ZZBNLFUDCSYRKU-AVARYYIYSA-N 364.573 6.713 0 1 FKAF CCCCC[C@@H]1C[C@H](OC)c2c3c(cc(O)c2[C@@H]1OC)C=CC(C)(C)O3 2356820826 FOPLWCNNWPOBIG-CFLQYTFWSA-N 360.494 5.552 0 1 FKAF CC1(C)CCc2c(C(=O)O)cc3c(OCc4ccccc4)cccc3c2O1 2382233568 SNVVBVWONGWLRC-UHFFFAOYSA-N 362.425 5.221 0 1 FKAF O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)N1CCCCC1 8590134 YVJZYZCSBQZLLJ-UHFFFAOYSA-N 358.894 5.036 0 1 FKAF C[C@]12C=C(/C=C/c3ccc(F)cc3)[C@](C)(C1)[C@@H](c1ccc(F)cc1)CC2=O 13783084 MLERNJKRLAOFMP-BWRDLPSYSA-N 364.435 6.077 0 1 FKAF CCSc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1 27182663 CXFUMQXKEITWKR-UHFFFAOYSA-N 372.497 5.219 0 1 FKAF CCCC/C=C/CCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@@H]21 27761941 YUARJAOYWUNVQS-XIKIPACMSA-N 354.534 6.682 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@@]21C 33820883 ZMSHFWQIVBSXGN-RQEZFVBVSA-N 370.533 5.556 0 1 FKAF CCCCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 39308682 OBCLUYQALDBUAD-PVAVHDDUSA-N 360.519 5.228 0 1 FKAF COc1ccc(-c2ccc(-c3cn4c(n3)sc3ccccc34)cc2)cc1 66112185 MWOXFRRUPMXZDF-UHFFFAOYSA-N 356.450 5.892 0 1 FKAF NCCCC(c1ccccc1)(c1ccccc1)c1ccc(Cl)c(Cl)c1 95582716 QMVMMWDSVRYLQS-UHFFFAOYSA-N 370.323 6.067 0 1 FKAF c1ccc2sc(Oc3ccc4cc(CN5CCCCC5)oc4c3)nc2c1 95595293 QPQWRRGUTIAUBL-UHFFFAOYSA-N 364.470 5.821 0 1 FKAF CC(C)(C)Cc1c(-c2ccco2)sc(N)c1C(=O)c1ccc(Cl)cc1 103228541 XRXZAXXGNBFOQV-UHFFFAOYSA-N 373.905 6.063 0 1 FKAF O=c1c2cc(-c3ccccc3)sc2ncn1CCc1ccc(Cl)cc1 103253500 YWKZPPKHJFXTEU-UHFFFAOYSA-N 366.873 5.021 0 1 FKAF CC(C)(C)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc3ccccc3c2)C1 103255304 MCVGIRNUHREYLP-NRFANRHFSA-N 362.904 6.847 0 1 FKAF C[C@@H]1[C@@H](O)CC[C@]2(C)CN(C[C@H](C)Cc3ccc(C(C)(C)C)cc3)CC[C@@H]12 103272452 WGLCKRKVHNBWOJ-LYTPWFCKSA-N 371.609 5.282 0 1 FKAF O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCC1CC1 143323094 UJWVAKPHIXIGHJ-UHFFFAOYSA-N 350.245 5.233 0 1 FKAF in-vivo Cc1cccc(-c2ccccc2)c1-c1nc2ccc(Br)nc2[nH]1 586879100 OTJJMDGLNNDEJN-UHFFFAOYSA-N 364.246 5.363 0 1 FKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 586891594 UJUFJLUURKANCM-SCLBCKFNSA-N 373.294 5.088 0 1 FKAF CC(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586991459 MZNJDGYJNDYZAL-UHFFFAOYSA-N 365.388 5.021 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1cc(F)cc(F)c1C4)-c1ccccc1C2=O 586995469 HIFZNEPLTAFWQS-UHFFFAOYSA-N 369.370 5.604 0 1 FKAF Cc1cnc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 587015592 RHVGKQLOVKLRBO-UHFFFAOYSA-N 361.257 5.364 0 1 FKAF CC(C)Oc1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587083559 ALSTVRBKPFKSPH-UHFFFAOYSA-N 363.848 5.733 0 1 FKAF Cc1cc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c1 587099925 XTEJKJRMWBYBIW-UHFFFAOYSA-N 363.460 6.347 0 1 FKAF CC(C)(C)c1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1 587144763 DTYMMSDZOGJORS-UHFFFAOYSA-N 362.423 6.473 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4cc(F)cnc4[nH]3)c(Cl)c2)cc1F 587146108 ZTDZDDXGECSYNW-UHFFFAOYSA-N 355.775 5.532 0 1 FKAF Cc1cc(F)c2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2c1 587158674 JORFHONKWITYRW-UHFFFAOYSA-N 360.367 5.155 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3Cl)cc1)O2 587375866 AEDYZFUMUZGXRV-OAQYLSRUSA-N 363.844 5.604 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(-c3cccs3)c1)O2 587382427 RCSMJQPJRDDRGD-SFHVURJKSA-N 353.418 5.151 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(C)(C)C)cc(C(C)(C)C)c1)O2 587405642 MTJHQJCAKCVEGG-OAQYLSRUSA-N 365.517 5.879 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Cc3ccccc3)cc1)O2 587406170 QIBVZCZKYUSEKD-XMMPIXPASA-N 357.453 5.049 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(Cl)c1Cl)CC2=O 587460907 HMBMHNVJSJBVBI-IBGZPJMESA-N 365.256 5.532 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)c(Cl)c1)CC2=O 587463490 XLULNXCVJIQIFU-LJQANCHMSA-N 365.256 5.532 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1csc(Cl)c1Cl)CC2=O 587489798 DMUFHRJCWUXYLJ-CYBMUJFWSA-N 357.258 5.420 0 1 FKAF O=C1C[C@@H](c2ccn(-c3ccccc3F)c2)Oc2c1ccc1c2CCCC1 587503015 KGIYADGYIJQPHR-QFIPXVFZSA-N 361.416 5.202 0 1 FKAF Cc1ccc(OC(F)F)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587507261 PNJHBYQLVOHTQN-QFIPXVFZSA-N 372.411 5.356 0 1 FKAF CC(C)(C)c1ccc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531936 IYCYRTJUIQTTPS-OAQYLSRUSA-N 350.458 5.275 0 1 FKAF O=C1CC2(Oc3c1ccc1c3CCCC1)c1ccccc1Oc1ccccc12 587533428 SVITWLMDTYNVOG-UHFFFAOYSA-N 368.432 5.580 0 1 FKAF O=C1C[C@H](c2cnc(C3CCCCC3)s2)Oc2c1ccc1c2CCCC1 587534169 BGIBHKMFWAEYLQ-LJQANCHMSA-N 367.514 5.776 0 1 FKAF C[C@@H]1CSc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587538114 NOYZEHBBVOHRBP-PEBXRYMYSA-N 350.483 5.168 0 1 FKAF Cc1cc(Cl)cc2c(NC(=O)OC(C)(C)C)c(Cc3ccncc3)[nH]c12 587627006 LNZFIUMHYALWKR-UHFFFAOYSA-N 371.868 5.463 0 1 FKAF O=C(c1c(-c2ccccc2F)[nH]c2ccc(F)c(Cl)c12)C(F)(F)F 587627751 BNKRNJIDBFKHBT-UHFFFAOYSA-N 359.681 5.512 0 1 FKAF COc1ccc2nc(C)c(Cc3c(C)[nH]c4cc(F)ccc34)c(Cl)c2c1 587633439 DQNKSDFEZQADSY-UHFFFAOYSA-N 368.839 5.725 0 1 FKAF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c2ccccc12 587801286 FOIHZLOEEDJOAE-OVWNDWIMSA-N 373.269 5.002 0 1 FKAF CC[C@H](c1ccccc1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820765 QTWJJAWEMRKGKQ-HGQUKEQDSA-N 362.286 5.357 0 1 FKAF Cc1cc(F)c2[nH]c(CCCCCCCCCCCCC(=O)O)nc2c1 587956785 BCCAJMSHPVATAR-UHFFFAOYSA-N 362.489 5.929 0 1 FKAF CC/C(=C/c1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587965508 AJFBBRCBGLHRMT-RAXLEYEMSA-N 362.420 6.434 0 1 FKAF COc1ccc2c(c1)[C@](C)(C(CC=C(C)C)CC=C(C)C)N(C(C)C)CC2 962095542 UZZXABPXLDABHV-VWLOTQADSA-N 369.593 6.506 0 1 FKAF CCn1c2ccccc2c2cc([C@H]3NCCc4cc(C)c(F)cc43)ccc21 962369936 BUIMIKRYRMDGDP-XMMPIXPASA-N 358.460 5.497 0 1 FKAF Oc1ccc2c(c1)-c1nc(-c3ccccc3O)cc(-c3ccccc3)c1C2 1857556510 GFJMNERAVJAUBV-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF O=C1Nc2c(sc3ccc(Cl)cc23)[C@H](c2ccc3ccccc3c2)N1 1857614509 DJFXXTVNLZRLDO-KRWDZBQOSA-N 364.857 5.932 0 1 FKAF CC(C)c1ccc(NC(=O)OCC2CCN(Cc3ccccc3)CC2)cc1 2382257560 WSZHWBCEOHXGOF-UHFFFAOYSA-N 366.505 5.271 0 1 FKAF Cc1ccc(-c2nc3c(Nc4cccc(C(F)(F)F)c4)nccc3[nH]2)cc1 205231556 KPAQWGPHNBQHFU-UHFFFAOYSA-N 368.362 5.696 0 3 FKAF c1ccc([C@@H]2C3=C(CCCC3)Nc3nc4cc5ccccc5cc4n32)cc1 5542894 UNMUPBFNERJVKC-HSZRJFAPSA-N 351.453 6.033 0 1 FKAF CN(C)CCCCCCCCCNc1c2c(nc3ccccc13)CCCC2 13801241 LNABAEDQNVYLMM-UHFFFAOYSA-N 367.581 5.818 0 1 FKAF O=C(O)Cc1ccccc1Nc1c(Cl)c(Cl)cc(Cl)c1Cl 28768177 ULHOYLQULDPTAM-UHFFFAOYSA-N 365.043 5.671 0 1 FKAF COc1ccc(-c2nc(SC(C)C)[nH]c2-c2ccc(OC)cc2)cc1 40505678 IQPPJLBQBRFDDR-UHFFFAOYSA-N 354.475 5.261 0 1 FKAF FC(F)(c1ccccc1)C(F)(F)c1ccccc1CNCc1ccccc1 60222791 CFUXMVNQQVCKOY-UHFFFAOYSA-N 373.393 5.860 0 1 FKAF CCCCO[C@H](Cc1ccc(Cl)nc1)c1ccc(Cl)cc1Cl 72101341 HPSFUECREMYCFF-MRXNPFEDSA-N 358.696 6.142 0 1 FKAF O[C@@](c1cccnc1)(c1ccccc1Cl)c1ccccc1C(F)(F)F 72102400 PKBYRHZDTRKVSY-GOSISDBHSA-N 363.766 5.038 0 1 FKAF COc1cccc(NCC[C@@]2(c3ccc(F)cc3)CCOC(C)(C)C2)c1 72112347 FSVYPXSGQVKMGG-JOCHJYFZSA-N 357.469 5.163 0 1 FKAF CC(=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 72124703 ZGWAMLWWZPWUEI-DYIMBGGFSA-N 356.550 5.750 0 1 FKAF in-vitro c1ccc(Oc2cncc(NC3CCCCCCCCCCC3)n2)cc1 82068798 JINYRCCCCYMGGR-UHFFFAOYSA-N 353.510 6.354 0 1 FKAF Cc1ccc(N2C(=O)CS[C@H]2c2sc(-c3ccccc3)nc2C)cc1 95561656 OZSCHLBIRJJWRG-FQEVSTJZSA-N 366.511 5.206 0 1 FKAF CC(C)(C)Cc1c(-c2cn[nH]c2)sc(N)c1C(=O)c1ccc(Cl)cc1 103228529 YVBGQIRNHFGVCA-UHFFFAOYSA-N 373.909 5.193 0 1 FKAF CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2)C1 204303971 XJPGUVMMCPULQV-KRWDZBQOSA-N 356.853 5.392 0 1 FKAF CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)OC)OC(C)=O 215561970 FVCFYYSXQUEISL-NLGUUUQVSA-N 352.515 5.515 0 1 FKAF O=C(O)c1ccccc1/C=C/c1nc2cccc(OCc3ccccc3)c2[nH]1 586878515 FUSWMCWGLUWAOC-BUHFOSPRSA-N 370.408 5.011 0 1 FKAF Cc1c(-c2nc3c(OCc4ccccc4)cccc3[nH]2)oc2c1[C@H](O)CCC2 586903961 OQPUTDQOVYWRLN-QGZVFWFLSA-N 374.440 5.080 0 1 FKAF Cc1ccc(-n2ccnc2SCc2nc3ccc(F)c(C)c3[nH]2)c(C)c1 586966066 CLXCUCFHYYEQOK-UHFFFAOYSA-N 366.465 5.105 0 1 FKAF Oc1cccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 587015588 RCVKQTDMWXGXRN-UHFFFAOYSA-N 362.241 5.366 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)n1 587020438 SGXQEOIVDOSQBB-UHFFFAOYSA-N 372.906 5.336 0 1 FKAF Fc1cc(Cl)cc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029545 PTDJAXCPBMIQHG-UHFFFAOYSA-N 359.813 5.058 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 587069986 NTUKZFFJRQEMTG-VIFPVBQESA-N 351.208 5.385 0 1 FKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(F)c1 587103202 HNOFODQJOSVEJC-UHFFFAOYSA-N 355.368 5.261 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587160927 INSJKAKDXRAHTP-VXGBXAGGSA-N 365.633 5.389 0 1 FKAF Cc1cc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)c(C)s1 587209896 WGTLJHHQYZXCML-UHFFFAOYSA-N 355.462 6.100 0 1 FKAF CC[C@@]12CC[C@@H](C1)C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355653 VVDNMMVZSCIHGC-QUFNARAZSA-N 366.432 5.229 0 1 FKAF CCO[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587364988 HIWULGBVMJMUSZ-QGZVFWFLSA-N 373.452 5.550 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c(Cl)c1)(C(C)C)O2 587377356 WSEZAZMNXXQGKS-IBGZPJMESA-N 364.272 5.401 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(C)c4)cc1)[C@@H](C2)C3=O 587446459 WZZRFFLHJTWDMC-GBXCKJPGSA-N 356.421 5.159 0 1 FKAF C[C@]1(CCc2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501555 PAMRLDAXSCXWTQ-QFIPXVFZSA-N 354.877 5.576 0 1 FKAF C[C@H]1Cc2ccc(Cl)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587504580 WZVDFAREQOWKGW-WHEQGISXSA-N 352.861 5.272 0 1 FKAF CCCc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587601115 DTWGQTSGDVLCPA-NZQKXSOJSA-N 360.409 5.048 0 1 FKAF CC(C)=CCC[C@@H](C)C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601760 HASALYPFBNNQBD-HBGVWJBISA-N 366.457 5.495 0 1 FKAF Cc1cc(Cl)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587699615 SWHSYUJRDVEXLU-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(Cl)cc(C)c3[nH]2)cc1 587932555 GFVWNPSZOXUEPE-HXUWFJFHSA-N 362.860 5.714 0 1 FKAF CN1CC[C@@]2(C[C@@H]1c1ccccc1)NCCc1cccc(-c3ccccc3)c12 962668788 XYTBJLSXMLSWHY-RSXGOPAZSA-N 368.524 5.162 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3Cl)cc(-c3cccc(O)c3)n2)c1 1772645877 UIAASLQXEMZZDK-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF Oc1cccc(Nc2nccc3[nH]c(-c4cccc(C(F)(F)F)c4)nc23)c1 205358817 CJDYWSRVSADEKZ-UHFFFAOYSA-N 370.334 5.093 0 3 FKAF CCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 591937 KZUDZUZMYZXWMG-UHFFFAOYSA-N 370.452 5.402 0 1 FKAF C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OCc3ccccc3)CC[C@H]12 3849982 PFVCATKPVAAICJ-ZZMGWDEJSA-N 366.589 7.005 0 1 FKAF biogenic c1ccc(CCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1 14947259 XBDYBBXKXLDDDL-UHFFFAOYSA-N 372.556 6.719 0 1 FKAF CCCCC/C=C/Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@H]21 27761686 OXYFFHDPKGORMT-ILXKITPQSA-N 354.534 6.682 0 1 FKAF Cc1c(-c2ccc(-c3cccs3)cc2)nc2ccc(F)cc2c1C(=O)O 29339228 HSLGFWSOSGGEPI-UHFFFAOYSA-N 363.413 5.776 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCO 29409257 FZBHDJAAQBITEW-KDSGDVRDSA-N 372.637 8.241 0 1 FKAF Cc1cc(-c2ccc(-c3cc4c(C)c(C)cc(C)c4o3)[nH]2)c(C)cc1C(=O)O 29468627 WDOHJORNPJIOIQ-UHFFFAOYSA-N 373.452 6.335 0 1 FKAF CC(=O)c1c(Nc2cccc(F)c2)[nH]c2c(-c3ccccc3)cccc2c1=O 40421845 SKZXSTPQGJOBCK-UHFFFAOYSA-N 372.399 5.280 0 1 FKAF CCC[C@H](C)C(=O)[C@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40424720 NRKZBOVABVDFTP-KSFYIVLOSA-N 373.452 5.653 0 1 FKAF c1ccc2c(c1)ccc1oc(-c3ccc(OCCCN4CCCC4)cc3)nc12 40860050 UAADJIGHCWVNEH-UHFFFAOYSA-N 372.468 5.513 0 1 FKAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1C[C@H](F)CN1C(=O)C1CCC1 72176198 BPICUEHAJGKYLS-PXNSSMCTSA-N 372.871 5.122 0 1 FKAF c1ccc(CNc2ccc(Oc3cncc(NCc4ccco4)n3)cc2)cc1 82068747 KAJARLYCZVUEMN-UHFFFAOYSA-N 372.428 5.086 0 1 FKAF Cc1cc(C)c(S(=O)(=O)c2ccc(OC3CCCCC3)cc2)c(C)c1 95594750 CKCIVBSGIYIDBG-UHFFFAOYSA-N 358.503 5.156 0 1 FKAF S=c1oc(-c2ccc3ccccc3n2)nn1CNc1ccc(Cl)cc1 95598211 BXOQCUKDUASLBF-UHFFFAOYSA-N 368.849 5.144 0 1 FKAF Cc1c(F)c(F)c(COC(=O)C[C@@H]2[C@@H](/C=C/Cl)C2(C)C)c(F)c1F 103215988 DSXBTEQGTIWPKR-XKFHPXPTSA-N 364.766 5.009 0 1 FKAF CC[C@H](c1nc(S[C@H](C)CC)[nH]c(=O)c1C)c1c(F)cccc1Cl 169352227 MSFPDVKGKWUQCA-PWSUYJOCSA-N 368.905 5.303 0 1 FKAF CC(=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 255274838 WBWPNIVYRIGGKO-JRPBHGLZSA-N 358.566 5.686 0 1 FKAF FC(F)(F)c1cccc(Nc2ncnc3ccc(-c4cncs4)cc23)c1 299851424 GDJPSUNLWNVYIH-UHFFFAOYSA-N 372.375 5.516 0 1 FKAF COc1cccc(-c2ccc(-c3nc4c(C)ccc(C)c4[nH]3)c(Cl)c2)c1 587051229 BDTPWRKDGSEFMW-UHFFFAOYSA-N 362.860 6.176 0 1 FKAF COc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587066810 SGSVIHVEKDJQBL-UHFFFAOYSA-N 361.150 5.564 0 1 FKAF COc1cccc2c1-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587106516 ISLNNAQIWXQVQX-UHFFFAOYSA-N 363.416 5.220 0 1 FKAF CCc1c(-c2ncccc2C)nc2cccc3c2c1-c1ccccc1C3=O 587107822 UWPVBZFIWBBTQB-UHFFFAOYSA-N 350.421 5.379 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CC[C@H]3C2)c1 587367438 QKVUWNYBFYCJAK-HOCLYGCPSA-N 355.437 6.096 0 1 FKAF CC[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370721 AWOKAZCGIDIMKD-TZIWHRDSSA-N 368.429 5.257 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3ccc(Cl)cc13)CC2=O 587462000 MIKLGQTZPLRYTM-NRFANRHFSA-N 369.848 5.360 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC)(c1cccc(Cl)c1F)CC2=O 587465380 CVQQKCICXNNIKH-FQEVSTJZSA-N 362.828 5.408 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(C)c(C)cc3o1)CC2=O 587479750 IWETUGFQTITQAL-OAQYLSRUSA-N 350.414 5.414 0 1 FKAF O=C1C[C@@H](c2ccc(C(F)(F)F)c(F)c2)Oc2c1ccc1c2CCCC1 587509944 UKOXMFBVKQOMHC-SFHVURJKSA-N 364.338 5.430 0 1 FKAF CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCC 587522266 GVPQTHOBDMDDGJ-OAQYLSRUSA-N 366.457 5.069 0 1 FKAF CC(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600223 ACDLCXOSXSRBLU-REWPJTCUSA-N 360.409 5.219 0 1 FKAF CC(C)Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587604784 YLRVCVLWZWLEAV-ZJSXRUAMSA-N 374.436 5.294 0 1 FKAF CC[C@]1(c2ccc(C)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587844500 AYMHYYZFLQICLM-DYZYQPBXSA-N 368.315 5.146 0 1 FKAF Cc1ccc(-c2csc(CCn3nc(C(F)(F)F)cc3C)n2)cc1C 587920652 KHYIENPRMWDRCW-UHFFFAOYSA-N 365.424 5.193 0 1 FKAF CC/C(=C/c1nc2ccc(Br)c(F)c2[nH]1)c1ccc(C)cc1 587966635 JZLGCXQSAWSNIS-BENRWUELSA-N 359.242 5.724 0 1 FKAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C 685935657 BKWBRNDZAJHCMT-DQEZJMEOSA-N 370.621 6.775 0 1 FKAF biogenic,in-vitro CCCOc1cccc([C@H]2c3ccsc3CCN2Cc2ccco2)c1 962712671 NTASSWXCUZUMAM-NRFANRHFSA-N 353.487 5.278 0 1 FKAF CCCCCC=CCCCCCCCc1cc(=O)c2ccccc2n1C 2356481100 DCLPWWXNFDNSMW-UHFFFAOYSA-N 353.550 6.558 0 1 FKAF CC(/C=C/CC1(c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1)=C\C(=O)O 2008474 PBTJHWPJNWIKLF-QCBIDBMXSA-N 352.518 6.044 0 1 FKAF CCOc1cc(-c2cc3c(=O)[nH]c(C)nc3cc2C(C)C)ccc1Cl 3820240 YTZUAMKAMKGUOC-UHFFFAOYSA-N 356.853 5.074 0 1 FKAF CC(C)c1cc(C(C)C)n2nc(-c3ccc(O)cc3)c(-c3ccccc3)c2n1 13585003 FAMXMAMESYFGJG-UHFFFAOYSA-N 371.484 6.016 0 1 FKAF CC(C)c1ccccc1NC(=O)NCC1(c2ccccc2)CCCCC1 13833474 GEOLLGPLRAWCSG-UHFFFAOYSA-N 350.506 5.834 0 1 FKAF COc1cc2c(cc1O)O[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]1[C@H]2OC 14683861 JAGJWSBNJZPDNL-UZCBEENBSA-N 374.521 5.482 0 1 FKAF biogenic CCCCC[C@@H](O)CCC[C@H](CCCc1ccc(C(=O)O)cc1)C(C)=O 27076177 NWAXWKDLBCWWIE-PZJWPPBQSA-N 362.510 5.024 0 1 FKAF CC[C@H](Nc1cc(COC)ncn1)c1ccc(Oc2ccc(F)cc2)cc1 28887699 MFHUCMNYSLQDGV-FQEVSTJZSA-N 367.424 5.118 0 1 FKAF c1cc2c(cc1OCCCN1CCCCC1)N(CC1CCCCC1)CCC2 36188048 OKNSAZCVLNFTQP-UHFFFAOYSA-N 370.581 5.274 0 1 FKAF Cc1cc(=O)oc2c1ccc1oc(Cc3ccccc3)c(-c3ccccc3)c12 45385857 ZMVFEDJLYQNDEK-UHFFFAOYSA-N 366.416 6.105 0 1 FKAF CCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 66078489 VEZUYUPQRWMWRR-UHFFFAOYSA-N 352.478 5.167 0 1 FKAF CCCOc1ccc(-c2cc(OC[C@@H](C)N(C)C)c3ccccc3n2)cc1 96271021 QMOFOWRNZKXJBH-QGZVFWFLSA-N 364.489 5.020 0 1 FKAF CC(C)n1c2c(c3ccccc31)[C@@H]1CC[C@@H](C2)N1CCCCc1ccccc1 100753645 DPCGTROJFNXOEE-URXFXBBRSA-N 372.556 6.307 0 1 FKAF CC(C)(C)Sc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224742943 GQKDLIAESAFCDE-UHFFFAOYSA-N 353.466 5.423 0 1 FKAF CCCOc1cc2nc(/C=C\c3ccsc3)[nH]c2cc1Br 587026239 SSOALSWITHVFIP-ARJAWSKDSA-N 363.280 5.346 0 1 FKAF Clc1ccccc1-c1ccc(Cc2nc3cccc(Cl)c3[nH]2)cc1 587063236 QHJHEBDDBXJAIS-UHFFFAOYSA-N 353.252 6.128 0 1 FKAF COc1cc(Cl)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587104306 RDIGBZJUMGIIPA-UHFFFAOYSA-N 371.823 5.775 0 1 FKAF Cc1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1C 587148536 BSHMEDVTSTVDDZ-NRFANRHFSA-N 364.395 5.626 0 1 FKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(ccc4ncccc43)[nH]2)cc1 587158062 IHUBBTFLKJPJFS-UHFFFAOYSA-N 367.383 5.397 0 1 FKAF Fc1cc(Br)cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587160706 BNWMIHQDXVFHRJ-UHFFFAOYSA-N 360.013 5.438 0 1 FKAF C[C@@H](Oc1cccc(F)c1-c1cc2c3c(cccc3n1)CC2)c1ccccc1 587210171 HZIQBJKKZLCCEJ-MRXNPFEDSA-N 369.439 6.280 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(Cl)c1Cl)CC2=O 587460442 GDLJPFUYRZGGAW-INIZCTEOSA-N 351.229 5.358 0 1 FKAF CCCCCC[C@H](C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600846 CMQKSMUAOUKOBN-OHEPNIRZSA-N 354.446 5.329 0 1 FKAF Fc1cc2c(-c3ccccc3)c(C(F)(F)Br)[nH]c2cc1Cl 587628244 JUHKKNLEMXAKBA-UHFFFAOYSA-N 374.587 6.072 0 1 FKAF CC(C)(C)c1[nH]c2cc(F)ccc2c1[C@](O)(c1ccccc1)C(F)(F)F 587634062 QODOLQYVRJADTI-LJQANCHMSA-N 365.370 5.403 0 1 FKAF Clc1ccc([C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 653699377 DCSNLCBRULYRPF-QHCPKHFHSA-N 368.952 5.380 0 1 FKAF CCC[C@@]1(c2ccc(Br)cc2)NCCc2ccc(F)c(C)c21 962296368 GENRFANFRMSHHI-IBGZPJMESA-N 362.286 5.086 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(Cc2cc(Cl)cnc2Cl)N1 962946824 AZPVADKFABJYEY-VBKZILBWSA-N 374.315 5.252 0 1 FKAF Oc1ccc(-c2ccc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)s2)cc1 963097799 HMVYWITYPSQVJC-JTSKRJEESA-N 365.473 5.370 0 1 FKAF Cc1ccnc([C@@]2(c3ccccc3)NCCc3c(Cl)cc(Cl)cc32)c1 963124512 QUDFBAYSPFSDJH-NRFANRHFSA-N 369.295 5.134 0 1 FKAF Cc1ccnc(C)c1-c1cc(-c2c(C)noc2C)cc2nc(C3CC3)[nH]c12 1772629834 PMNSTIGCGOIMNI-UHFFFAOYSA-N 358.445 5.391 0 1 FKAF Brc1cccc(Nc2ncc3c(n2)-c2ccccc2SC3)c1 1857766735 NKCCWVJHLPXTGK-UHFFFAOYSA-N 370.275 5.255 0 1 FKAF CC(=CC=C[C@H](C)C(=O)O)CCC1=C(C)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356386525 MCGZTMASYFHHQZ-LEEZEASISA-N 358.566 6.933 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 2356803862 XMOYAJSUUCZZLU-RSLLPTATSA-N 356.506 5.365 0 1 FKAF Clc1ccc(-c2nc3ccc(Cl)cn3c2Cc2ccsc2)cc1 72139592 POLCCTWTXRRSEL-UHFFFAOYSA-N 359.281 5.960 0 3 FKAF C[C@@H](C[C@@H](C)Cc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O 589770 JVBGKXGXUZCESP-SJORKVTESA-N 363.457 5.103 0 1 FKAF CS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CCC2)cc1 3814639 SZHKSRZKPUOAGO-UHFFFAOYSA-N 366.404 5.204 0 1 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccccc1)Oc1ccccc1-3 3831966 KGVGNTCIQIYLQU-DEOSSOPVSA-N 353.465 6.443 0 1 FKAF Cc1cccc([C@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1 6491099 YHZHYDLGNCDZCG-AXARPADDSA-N 372.512 5.656 0 1 FKAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)N(c1ccccc1)c1ccccc1 13733920 RYWMWDPBFDGSHL-PMACEKPBSA-N 365.521 5.187 0 1 FKAF CC(C)c1ccc(O[C@](C)(Cc2ccc3c(c2)CCCC3)C(=O)O)cc1 27527177 UVDUQUPQNYWRMH-HSZRJFAPSA-N 352.474 5.154 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 27652265 XAUNJOUEWQWLCP-FMWKFLBASA-N 370.577 7.323 0 1 FKAF in-vitro Cn1c(-c2ccc3ccccc3c2)nnc1-c1ccccc1C(F)(F)F 29042976 BSZLYEUFMMMIRN-UHFFFAOYSA-N 353.347 5.321 0 1 FKAF Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)[C@H](O)[C@@H]2C 35966233 YFJZCMOHVUUOJJ-MPBGBICISA-N 354.881 5.465 0 1 FKAF O=C1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 40575579 HTTRVPAJFFVJTE-FFMTYJSISA-N 359.513 5.162 0 1 FKAF COc1ccc([C@@H](O)c2cc3ccccc3cc2-c2cccnc2)cc1F 40954662 KSGVSOSHLHWIHO-HSZRJFAPSA-N 359.400 5.131 0 1 FKAF CC1(C)CCC[C@@]2(CO)[C@H]1CC[C@@]1(C)[C@@H]3CCc4cocc4[C@@]3(C)CC[C@@H]12 45291227 KGLSSBJCYUTCKF-WKMSJAJJSA-N 370.577 6.115 0 1 FKAF O=C(c1ccc(NCc2ccco2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 64549914 XLXCXSXSOSKIKT-UXHICEINSA-N 351.833 5.532 0 1 FKAF Fc1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1 72175076 JVKFCLZDPAFDCP-ZZXKWVIFSA-N 365.292 6.549 0 1 FKAF Cc1csc(-c2nc(C(F)(F)F)[nH]c2-c2ccc3ncsc3c2)n1 95561891 UVCNMWPNXWHUCS-UHFFFAOYSA-N 366.393 5.137 0 1 FKAF Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ccccc4c32)o1 104099533 PUZOPAYUVUIEPV-QHCPKHFHSA-N 357.453 6.591 0 1 FKAF COc1cc2c(cc1OC)[C@H](c1sc3ccccc3c1Cl)N(C)CC2 144700480 JUNMXNNURNFKGJ-LJQANCHMSA-N 373.905 5.149 0 1 FKAF Clc1ccc(N(Cc2ccc3ccccc3c2)CC2CNC2)cc1Cl 299828450 VVBWHGPWDKYRIZ-UHFFFAOYSA-N 371.311 5.373 0 1 FKAF Cc1ccc([C@@H]2Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1 586989809 FNUWFOQACRXKFN-KRWDZBQOSA-N 363.416 5.148 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]1C[C@H]3[C@@H]2CCC[C@H]12 586990960 PDKMBPYGOKLWFI-GUYJKWIASA-N 353.421 5.153 0 1 FKAF CC(C)Cc1c(-c2ccoc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991504 OICURIHRAWYLAB-UHFFFAOYSA-N 369.420 5.610 0 1 FKAF CC(C)(C)c1cccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016386 VBJXIOXZICUKMM-UHFFFAOYSA-N 367.905 6.304 0 1 FKAF CSc1ccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2c1 587020426 SANJQJVYEYBHQC-UHFFFAOYSA-N 367.499 5.296 0 1 FKAF O=C(O)c1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587051083 OOEGKWBVTIGTGK-UHFFFAOYSA-N 373.195 5.495 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccccc2[nH]1 587071754 MYUVBQDEEJSKNA-FFTXYWRCSA-N 357.284 6.236 0 1 FKAF COc1cc2nc(-c3sccc3-c3ccc(F)cc3)[nH]c2cc1OC 587164977 HCXWPWXNKYGZQI-UHFFFAOYSA-N 354.406 5.115 0 1 FKAF COc1cccc(-c2c(C)c(C3CCCCC3)nc3c2oc2ccccc23)c1 587364788 DOPMWOYFIMDHBV-UHFFFAOYSA-N 371.480 7.013 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CCCC(C)C)(c1ccccc1)CC2=O 587488743 LWYJSZSKGVFSJU-DEOSSOPVSA-N 366.501 6.032 0 1 FKAF CCCc1c(O)ccc2c1OC(c1cccs1)(c1cccs1)CC2=O 587493018 FFUQFQJIYVLPAI-UHFFFAOYSA-N 370.495 5.377 0 1 FKAF CC(C)(C)[C@@]1(c2ccc3c(c2)CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587525190 QPZVAWIZXRGPTL-SANMLTNESA-N 374.524 5.961 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(F)=C(F)F)N1 587702122 DAJHXIBDCPDLRV-AYVTZFPOSA-N 366.196 5.195 0 1 FKAF COc1ccc(OC(C)(C)C)n1-c1cc(Cl)cc(Br)c1 587941079 PLJPJAHBEMSCRP-UHFFFAOYSA-N 358.663 5.079 0 1 FKAF CC(C)c1ccc(/C=C/c2ccc(OCCCC(C)(C)C(=O)O)cc2)cc1 653755906 FBUVZLRZPUUMMH-VOTSOKGWSA-N 366.501 6.250 0 1 FKAF COc1cc(Cl)ccc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772640159 ZGJMJCMWKBARHI-MRXNPFEDSA-N 373.861 5.079 0 1 FKAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)OCC(C)C)cc1 1857579445 KIVSMRXIEPHILZ-UHFFFAOYSA-N 365.429 5.042 0 1 FKAF COc1c(C)cc(-c2ccc(C(=O)c3cccc(O)c3C)s2)cc1C 1857649244 SPVNPQALTPKVMA-UHFFFAOYSA-N 352.455 5.286 0 1 FKAF C=Cc1ccc(-c2cc3c(=N[C@H](C)c4ccccc4)nc[nH]c3s2)cc1 1857744589 KRBFRBDVUKYJJF-OAHLLOKOSA-N 357.482 5.596 0 1 FKAF CCCCCc1cc(OC(C)=O)cc2c1C(C)(C)C1=CC[C@H](C)C[C@@H]1O2 2356283758 AOEQFMLAFUZCHK-YWZLYKJASA-N 356.506 5.740 0 1 FKAF COc1cc(-c2cccc(-c3c[nH]c4ccccc34)c2)cc(OC)c1OC 2382245253 KRWGBSWBKFSSJO-UHFFFAOYSA-N 359.425 5.528 0 1 FKAF COc1ccccc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1 72137780 QCNGIJIVWHSJHP-UHFFFAOYSA-N 374.465 6.355 0 3 FKAF CCC[C@@H](C)n1c(CC)nc2c(-c3ccc(C(C)=O)cc3Cl)ccnc21 13479618 ZGWRELXRQFHBLR-CYBMUJFWSA-N 369.896 5.878 0 1 FKAF Fc1ccc(COCC2CCN(Cc3ccc4ccccc4c3)CC2)cc1 13730135 RCIYLLFFBXNPBQ-UHFFFAOYSA-N 363.476 5.408 0 1 FKAF CCCOc1c(Cl)c(OC)nc(C(Cl)(Cl)Cl)c1Cl 26019891 RPKSXUFVWGFTSZ-UHFFFAOYSA-N 353.460 5.013 0 1 FKAF O=C1N(c2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1 29544196 NHOMSLJGVCXQLG-UHFFFAOYSA-N 361.444 5.699 0 1 FKAF COc1cc(/C=C\Cc2cc(OC)c3ccccc3c2)cc(OC)c1OC 40564296 ZEZCYUIBOGJHJP-CLFYSBASSA-N 364.441 5.130 0 1 FKAF Nc1c2c(nc3c1cc(-c1ccccc1)n3-c1ccccc1)CCCCC2 73199249 SAQGSFDAUDUZBY-UHFFFAOYSA-N 353.469 5.544 0 1 FKAF CCCCCn1c(CCC)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188750 LQQNGNKUROYUDS-KRWDZBQOSA-N 365.525 5.185 0 1 FKAF O=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1Sc1ccccc1 100364031 JBCJYOQLWYPRAJ-UHFFFAOYSA-N 374.461 5.439 0 1 FKAF CC[C@@H]1CCCCCCc2c1oc(O)c([C@H](c1ccccc1)C1CC1)c2=O 100712854 WNGUQXPUAIUOMO-OXQOHEQNSA-N 366.501 5.888 0 1 FKAF Clc1ccc(Nc2[nH]c3ccccc3c3nc(C4CCCC4)nc2-3)cc1 101087739 MGMLCNPIQUCXFO-UHFFFAOYSA-N 362.864 6.117 0 1 FKAF [18F]CCCC[C@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 102898174 JJMQPXXODDTMDK-GRXQWEFTSA-N 352.484 5.389 0 1 FKAF CO[C@@]1(C)C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247438 WDDAUXZTXKAGOH-UJXJSONBSA-N 365.492 6.132 0 1 FKAF C[C@H](F)c1nn2cc(-c3cc4c(Cl)cc(Cl)cc4o3)nc2s1 143844101 LPUNCLDVAIJMDW-LURJTMIESA-N 356.209 5.541 0 1 FKAF Cn1ccc2cc(-c3ccc4oc(N5Cc6ccccc6C5)nc4c3)ccc21 148880881 JSDIANPKQMJBEW-UHFFFAOYSA-N 365.436 5.507 0 1 FKAF COc1ccc(-c2cc3cc(F)ccc3nc2[C@@H](O)c2ccccc2)cc1 169312330 MVICIBSNMMIQOR-QHCPKHFHSA-N 359.400 5.131 0 1 FKAF CC(C)CCC[C@H](C)CCC[C@@H](C)CCCC/C=C\CCCC(=O)O 169636527 YFFYZNLBGSMHGN-BQNLEMKZSA-N 352.603 7.627 0 1 FKAF CC(C)(C/C=C\c1ccc(/C=C\CC(C)(C)CC(=O)O)cc1)CC(=O)O 199579711 MDPOYQZCXPBZJP-SFECMWDFSA-N 358.478 5.495 0 1 FKAF Nc1cnc(-c2ccc(C3CCCC3)c(OCc3ccccc3)c2F)cn1 224571512 VINWWRZRGCPUMT-UHFFFAOYSA-N 363.436 5.102 0 1 FKAF C/C(=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)cc(O)cc2O1)C(=O)O 238737704 KPGLBIOCBVOVMN-JMNUVGBPSA-N 358.478 5.322 0 1 FKAF Clc1ccc(O[C@H](CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1 299839765 TZJCUYLPPDCFHU-QGZVFWFLSA-N 356.680 5.376 0 1 FKAF CCOC(=O)c1sc(Nc2ccc(C)c(F)c2)nc1-c1ccccc1 299858299 DOWQEUCYWDRJLN-UHFFFAOYSA-N 356.422 5.178 0 1 FKAF O=C(O)c1ccccc1/C=C/c1nc2ccc(OCc3ccccc3)cc2[nH]1 586880466 QQGRGSKDYMCNKD-JLHYYAGUSA-N 370.408 5.011 0 1 FKAF c1ccc(Oc2ccc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3c2)cc1 586888669 LQKLPKRIKQAGCL-RDPSFJRHSA-N 352.437 5.727 0 1 FKAF CC(C)(C)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 586901304 SEMWVDVMHVJBGJ-UHFFFAOYSA-N 374.440 5.512 0 1 FKAF Cc1c(F)cccc1Cc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O 586987530 YGEZMFIUCUAVEL-UHFFFAOYSA-N 369.395 5.190 0 1 FKAF C[C@H]1CCc2sc(-c3nc4cc(OCc5ccccc5)ccc4[nH]3)cc2C1 587033481 IYDDYGICUATBRL-HNNXBMFYSA-N 374.509 5.995 0 1 FKAF Clc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2n1 587063720 ZQRBSONEKQGMMQ-UHFFFAOYSA-N 354.240 5.523 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(F)ccc(F)c1C3 587104191 OQTMMMDNCCPDEP-UHFFFAOYSA-N 355.343 5.296 0 1 FKAF CCc1ccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2c1 587197242 BNQBLODQJKIPBN-FQEVSTJZSA-N 365.477 5.091 0 1 FKAF C[C@]1(CC2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356465 QNGFZIKEPILMKT-IFMALSPDSA-N 354.421 5.229 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3)nc1)CC2=O 587483771 DOJHCKMHQNZPJY-JOCHJYFZSA-N 359.425 5.113 0 1 FKAF C[C@]1(c2cccc(OC(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501317 BCPPXNOZNFHSDB-OAQYLSRUSA-N 358.384 5.047 0 1 FKAF CC(C)=CCC[C@H](C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603736 RFIGUWPEBLUDIK-WQFQCULDSA-N 352.430 5.105 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cccc(Br)c2[nH]1 587951750 ZWEOHBVKFXNIHR-HUBLWGQQSA-N 351.288 5.372 0 1 FKAF Brc1cncc2nc(/C=C/c3cccc4ccccc34)[nH]c12 587967876 KDHFBPQYAHIOBN-CMDGGOBGSA-N 350.219 5.044 0 1 FKAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cccc3c2ccn3C)n1 653762411 YXDKNVDFHUCQHG-OAQYLSRUSA-N 368.484 5.433 0 1 FKAF OCc1ccc([C@@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653807607 ZJSWYTAJRQXWKP-GOSISDBHSA-N 354.881 5.421 0 1 FKAF Cc1ccccc1C1CC2(C1)NC1(CC1)Cc1ccc(Br)cc12 961613207 GXSZZHSEZPYDIK-UHFFFAOYSA-N 368.318 5.209 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cncc2nc(C(C)(C)C)oc12 963235605 XBNUKIIMLXYKLT-FOIQADDNSA-N 363.505 5.266 0 1 FKAF Oc1cccc(-c2nnc(-c3ccc(-c4nc5ccccc5s4)cc3)o2)c1 1911581356 UOBGQANCNCNGLX-UHFFFAOYSA-N 371.421 5.386 0 1 FKAF COc1ccc2c(c1)N=C(C1CC1)N(Cc1ccccc1)[C@@H]2c1ccccc1 2382219481 CAWCZASAKJIMPY-XMMPIXPASA-N 368.480 5.740 0 1 FKAF Cc1ccc2nc(-c3cccc(Cl)c3)c(Cc3cccc(F)c3)n2c1 95571135 HIFMGEMRWYXNCS-UHFFFAOYSA-N 350.824 5.693 0 3 FKAF CCCCCC=CCC=CCCCCCCCC(=O)NC1CCCCC1 4215386 OFSPDNIHQQKLPZ-UHFFFAOYSA-N 361.614 7.249 0 1 FKAF biogenic O=C(O)CCCOc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 13727971 JFCURSMYGFSYKI-UXBLZVDNSA-N 367.832 5.302 0 1 FKAF CC(C)=CCC[C@@]1(C)O[C@@H]1Cc1c(O)ccc2c1[nH]c1cc(O)c(C)cc12 15206007 UYTBVHGZBBQOOF-FYYLOGMGSA-N 365.473 5.487 0 1 FKAF biogenic CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@H]21 27753052 PJPBVOAEXHKPAB-VQTJNVASSA-N 370.577 7.251 0 1 FKAF CC(C)Cc1cn(-c2nc(C(=O)O)cs2)c2cc(C(F)(F)F)ccc12 29045464 VTRCWWBWFOAGSU-UHFFFAOYSA-N 368.380 5.003 0 1 FKAF CCC(=O)c1ccc2c(c1)/C(=C\[C@H](CC)CN(C)C)c1ccccc1S2 40719772 JTRFBVUSWMSNNE-UEIJICEPSA-N 365.542 5.763 0 1 FKAF CCOc1cc2c(cc1Cl)nc(-c1ccc(F)cc1)n2C1CCCC1 40980075 RWIQMNRTQGXUHG-UHFFFAOYSA-N 358.844 6.010 0 1 FKAF O=C(O)/C=C/c1ccccc1C/C=C\c1ccccc1Oc1ccccc1 64329348 LBGJIGXUUBDHKL-FSEXCTTBSA-N 356.421 5.833 0 1 FKAF CCO[P@](=O)(NC1CCCCC1)Oc1ccc(C(F)(F)F)cc1 72126120 CAAZYUCHWWIOLT-HSZRJFAPSA-N 351.305 5.151 0 1 FKAF CCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C)c1CC 95601125 BNLSLPBYPNHRHW-UHFFFAOYSA-N 365.882 5.091 0 1 FKAF COc1cc(NCc2ccc(-c3ccccc3)s2)ccc1-c1cnco1 96935295 ZUEHXTTUVXEEQJ-UHFFFAOYSA-N 362.454 5.691 0 1 FKAF FC(F)(F)c1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)cc1 100065469 WRXLFFYLXHPHFE-UHFFFAOYSA-N 353.347 5.117 0 1 FKAF Clc1cc(-c2ccn3c(CC4CC4)nnc3c2Cl)ccc1NC1CC1 114488926 IIWHPWPVODSNOY-UHFFFAOYSA-N 373.287 5.230 0 1 FKAF C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C)N(C)C 255285188 YTNIUPZRMQLHNV-KLLMKRNDSA-N 372.641 5.446 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 586898344 HMFWWFFRMJZGMM-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF Cc1ccc2c3c(cc([C@@H]4CC4(Cl)Cl)nc13)-c1ccccc1C2=O 586993096 HZMJKIKEKUGMSD-HNNXBMFYSA-N 354.236 5.416 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1ccccc1[C@@H](O)C4)-c1ccccc1C2=O 587101092 JVDULKWOQJKBFM-FQEVSTJZSA-N 363.416 5.011 0 1 FKAF CC(C)Oc1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587162022 BCIBEZDBJYJADT-UHFFFAOYSA-N 374.415 5.387 0 1 FKAF COc1cccc(-c2cc(-c3ccnc(C)n3)nc3c2oc2ccccc23)c1 587362070 BFHACFPJBMBBSF-UHFFFAOYSA-N 367.408 5.422 0 1 FKAF Cc1ccc2c(c1)[C@@]1(CCS2)CC(=O)c2ccc3c(c2O1)CCCC3 587537593 IJPYYAIQTASBDI-JOCHJYFZSA-N 350.483 5.230 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(C)C3(C)C)N1 587817024 HHUDOZMGSPWPSJ-GMBROJJHSA-N 366.318 5.164 0 1 FKAF COc1ccc(CCCc2nc3cccc(C(C)(C)C)c3[nH]2)c(OC)c1 587929550 WOVCGMZWAWNLFI-UHFFFAOYSA-N 352.478 5.053 0 1 FKAF COc1ccc(C2(c3nc4c(F)cnc(Cl)c4[nH]3)CC3(CCC3)C2)cc1 587934982 JVTPCMWLKMNFDT-UHFFFAOYSA-N 371.843 5.009 0 1 FKAF CC[C@@]1(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)CC(=O)c2ccccc2C1 587959511 FZXLJYUKDYARLV-IBGZPJMESA-N 374.271 5.033 0 1 FKAF CC(=O)c1ccc([C@@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653793979 UMJURPMKEPWRDL-LJQANCHMSA-N 366.892 6.131 0 1 FKAF Cc1c(F)ccc2c1[C@](c1cc(Cl)ccc1Cl)(C1CCC1)NCC2 962378810 UQOIZXCNEVQJAH-HXUWFJFHSA-N 364.291 5.630 0 1 FKAF Cc1cc(C)c([C@H]2c3ccsc3CCN2Cc2cccn2C)cc1C 962398233 MJDYNCCHRDTXKU-JOCHJYFZSA-N 350.531 5.160 0 1 FKAF Cc1ccnc2c1CCN[C@H]2c1ccsc1Sc1ccc(Cl)cc1 963078855 ZPOOREKTPLLFKP-SFHVURJKSA-N 372.946 5.491 0 1 FKAF Cc1cc(OCCCn2ccc3ccc(C(=O)O)cc32)cc(C)c1Cl 1772581300 YRJHHCYWQVFPEX-UHFFFAOYSA-N 357.837 5.079 0 1 FKAF COc1ccc(Nc2nc(C3CC3)nc3sc4c(c23)CCCC4)cc1 1772640397 WRYIIIQLTILTLD-UHFFFAOYSA-N 351.475 5.200 0 1 FKAF CC(=O)O[C@H]1C=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)O1 2356381578 RKRFHXVVRCHNSV-OAQYLSRUSA-N 360.494 5.558 0 1 FKAF COc1cccc(NCc2cn(-c3ccccc3)nc2-c2cccs2)c1 4912221 VYRVPHBSJBBAPK-UHFFFAOYSA-N 361.470 5.222 0 1 FKAF CCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccccc1 13558373 DSNSRHFGHIEXAM-UHFFFAOYSA-N 356.425 5.180 0 1 FKAF CCc1csc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12 13680036 CYZKLLHNZJNLSB-UHFFFAOYSA-N 363.438 5.317 0 1 FKAF C[C@@]12CCC=C[C@H]1[C@@H](c1ccc3ccccc3c1)N(Cc1ccccc1)C2=O 13830429 DLLSCTDMHJGMPP-BFLUCZKCSA-N 367.492 5.896 0 1 FKAF CCC/C=C(\CCC)C1=C(CCCC)[C@]2(Nc3ccccc3)CCC[C@@H]2C1 14978517 FPIRGXKPVCJMEC-HGTWAIQFSA-N 365.605 8.055 0 1 FKAF CCN[P@@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)OCC 26280300 NSDNBRPGVGPSKV-HSZRJFAPSA-N 360.419 5.302 0 1 FKAF Cc1c(Cl)cccc1NC(=O)N(CCC(C)(C)C)Cc1cccs1 26404185 YMIWFWPFYICBOK-UHFFFAOYSA-N 364.942 6.180 0 1 FKAF COc1ccc(-c2nc(SCSC)[nH]c2-c2ccc(OC)cc2)cc1 28219435 PLXXJXRFXLCRDL-UHFFFAOYSA-N 372.515 5.174 0 1 FKAF O=C(Cc1cccc(Oc2ccccc2)c1)Nc1ccc(Cl)c(Cl)c1 73222421 AHUGPHKJFGGARD-UHFFFAOYSA-N 372.251 5.967 0 1 FKAF Clc1ccc(C[C@@H]2Cc3ccccc3[C@@H]2N2CCCCC2)c(Cl)c1 82150696 YIRNFGGDEBTYRM-LAUBAEHRSA-N 360.328 5.935 0 1 FKAF COc1cc(-c2ccc3c(c2)Nc2cccc(Cl)c2NC3=O)ccc1O 87612870 JHZSXXGSSAMRBY-UHFFFAOYSA-N 366.804 5.031 0 1 FKAF NCCS[C@](c1ccccc1)(c1cccc(O)c1)c1cccc(Cl)c1 95582134 QVCXZUIOMIZJCE-NRFANRHFSA-N 369.917 5.029 0 1 FKAF CC1(C)Cc2ccc(-c3cncc(Cl)c3)cc2[C@@]2(CCSC(N)=N2)C1 95604784 NNOWXMJGJLIDEA-HXUWFJFHSA-N 371.937 5.021 0 1 FKAF CN1[C@@H]2CC[C@@H]1[C@H](c1cc(C(C)(C)C)no1)[C@@H](c1ccc(Cl)cc1)C2 100985442 MCXVQEGECPBTDZ-WOCWXWTJSA-N 358.913 5.359 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1ccccc1 118916846 SINAMTXBCYKFDL-CPVNMKTDSA-N 350.546 6.084 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 586898365 IJQMBLFZRFZJKS-UHFFFAOYSA-N 355.319 5.016 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 586898756 NKCXWVGUSFIRSZ-UHFFFAOYSA-N 356.212 5.304 0 1 FKAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 586918103 WKKXWBIPDLYNBC-GAJHUEQPSA-N 362.473 5.077 0 1 FKAF CCc1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc1Br 586976158 DMITZUYKCYGYBM-UHFFFAOYSA-N 355.279 5.434 0 1 FKAF CCCC[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990656 NCLPQZNAUCFDQG-CQSZACIVSA-N 357.453 5.447 0 1 FKAF Cc1cc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1Cl 587014912 UCSITGDYQSEZON-UHFFFAOYSA-N 374.296 6.277 0 1 FKAF CCOC(=O)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587053242 AIWXFVURNXBPRP-VQHVLOKHSA-N 361.228 5.217 0 1 FKAF CC(C)(C)c1cccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587062075 BDFDKYCBSWYBIU-UHFFFAOYSA-N 374.915 6.772 0 1 FKAF Cc1ccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2c1 587121757 KGQLSKPQEAJYCK-UHFFFAOYSA-N 357.335 5.294 0 1 FKAF Nc1ccc(F)c(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587142181 MRDHJOYLEGEJOJ-UHFFFAOYSA-N 374.444 5.152 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(Br)c(C)c2[nH]1 587154620 GAZXXBRPPSHSKO-CQSZACIVSA-N 363.230 5.303 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2cccc(Br)c2[nH]1 587170167 KZXSNMFUQFPSJS-SNVBAGLBSA-N 365.271 5.360 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3F)s1)O2 587386173 SVZXPSQFDNGKGM-QGZVFWFLSA-N 353.418 5.151 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1c1ccccc1)CC2=O 587485560 VYALDRAOFDWOKL-XXBNENTESA-N 350.458 5.407 0 1 FKAF CC1=C([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CCC1 587819191 HKMTXCWHYZUVQJ-KZULUSFZSA-N 366.318 5.690 0 1 FKAF CC[C@]1(c2ccsc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587846969 VPKMRFGHSXFYFV-BMLIUANNSA-N 368.315 5.146 0 1 FKAF Cc1cc2c(cc1F)[C@]1(C[C@H](c3ccccc3)Nc3ccccc31)NCC2 962094919 URGLDVUJGBASFP-DNQXCXABSA-N 358.460 5.080 0 1 FKAF Cc1c(F)ccc2c1[C@@H](c1nc(-c3ccc(Cl)cc3)cs1)NCC2 962373810 JTTPGKMSLAIMLG-SFHVURJKSA-N 358.869 5.146 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2ccc3ccccc3c2)c1 1772598226 ASBMTSPEURSTKQ-UHFFFAOYSA-N 372.855 6.804 0 1 FKAF Clc1ccc2c(NCCCC[N@]3O[C@@H]3c3ccccc3)ccnc2c1 1857623877 MMUAXWUXILQCRK-YKSBVNFPSA-N 353.853 5.026 0 1 FKAF CC[C@H](O)C(=O)C[C@H](C)CCCC(C)=CC=C[C@@]1(C)CCCc2ccoc21 2356539919 GHGXPVQCIKVWSW-IZIIKQMZSA-N 372.549 5.913 0 1 FKAF CCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3C)n2)s1 8578458 AUDOEQZVGSMPAT-UHFFFAOYSA-N 372.519 5.366 0 3 FKAF Cc1ccc([S@](=O)(=Nc2ccccc2)[C@@H](C(C)C)C(C)(C)Cl)cc1 6522766 DVFUUDXSWUKQSE-YADARESESA-N 363.954 6.196 0 1 FKAF CC(=O)OCC1=CCC[C@@H]2[C@@](C)(CC[C@@H](C)CC(=O)O)[C@@H](C)CC[C@@]12C 13402362 QSEIUMVWJJWZJP-YGARQZMPSA-N 364.526 5.219 0 1 FKAF CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccc4)[nH]3)ccc21 13490276 RNEASTBHQHQRDF-UHFFFAOYSA-N 351.453 6.180 0 1 FKAF CC(C)=CCC[C@@]1(C)O[C@H]1Cc1c(O)ccc2c1[nH]c1cc(O)c(C)cc12 15206014 UYTBVHGZBBQOOF-JTHBVZDNSA-N 365.473 5.487 0 1 FKAF biogenic c1ccc2c(CCCCN3CCN(C4CCCCC4)CC3)cccc2c1 22931156 XKQYNHNOTJXFNU-UHFFFAOYSA-N 350.550 5.113 0 1 FKAF Cc1nc2c(s1)CN=C(c1ccccc1Cl)c1cc(Cl)ccc1-2 25979507 WTUKWVKFNNFBBZ-UHFFFAOYSA-N 359.281 5.776 0 1 FKAF Cc1ccnc(Oc2nc(C)c(N[C@H](c3ccccc3)C(C)C)nc2C)c1 28956282 FNPQLDDEJNBIMV-FQEVSTJZSA-N 362.477 5.398 0 1 FKAF CCCCC[C@@H](O)/C=C/C(O)=C(/O)C/C=C/CCCCCCC(=O)O 32821768 PBCZCSXKHMNACJ-WPBSXCSQSA-N 354.487 5.183 0 1 FKAF endogenous,in-man CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccccc3)cc12 44460264 KYYOHACAJWYNOT-UHFFFAOYSA-N 371.440 5.341 0 1 FKAF in-vitro Cc1ccc([C@H](C)NCc2coc(-c3ccc(Cl)cc3Cl)n2)cc1 72101735 LQJTZYDQOPOSGY-ZDUSSCGKSA-N 361.272 5.808 0 1 FKAF Clc1cccc(Oc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c1 72180246 OPVNWYJSZKYPCO-UHFFFAOYSA-N 374.054 5.902 0 1 FKAF COc1cccc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c1 82149211 ZSBCJMMUMPKBTK-UHFFFAOYSA-N 353.421 5.768 0 1 FKAF CCCCCNc1ncnc2c1nc(-c1ccc(C)o1)n2CCCCC 82186582 OGNHXJDVWNIVBI-UHFFFAOYSA-N 355.486 5.187 0 1 FKAF N[C@H]1C[C@@H]1c1ccc(OCC2CCCCC2)cc1OCC1CCCCC1 87613246 SWSWEUYPXYBKBC-YADHBBJMSA-N 357.538 5.419 0 1 FKAF CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-c4ccccc4)ccc3n2)cc1 95558979 JUJMCVCAHFVRPW-UHFFFAOYSA-N 369.468 5.551 0 1 FKAF Fc1ccc(-c2nc3ccccn3c2-c2cccc(-c3ccsc3)c2)cc1 96927580 ICZWZSIAIFEXBH-UHFFFAOYSA-N 370.452 6.536 0 1 FKAF CCCCCSCC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169344776 AIXODEBHLBBHQA-KNMQFUHSSA-N 354.556 5.295 0 1 FKAF O=C(O)c1cccc(Cc2c[nH]c3ccc(-c4ccc5cc[nH]c5c4)cc23)c1 169348538 WOLICJIWRDZGPT-UHFFFAOYSA-N 366.420 5.605 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CC[C@@H](C)C(=O)NCCO 231934749 POPPPMLPRVFFPI-KYQFPDQKSA-N 361.570 5.487 0 1 FKAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1C=C[C@@]2(O)c1ccccc1 253634542 PRCGTYKZJAVITA-FXEFVXDJSA-N 360.497 5.215 0 1 FKAF COc1cccc(Sc2c(O)c(-c3cccnc3)cc3ccccc23)c1 299839515 SJUMVZWSCRBLOD-UHFFFAOYSA-N 359.450 5.767 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2cc(Br)cc(F)c2[nH]1 586884291 SPZXWLQDKORLLY-UHFFFAOYSA-N 355.210 5.593 0 1 FKAF CC[C@@]1(C)C[C@@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 586889820 MZMSMJVLNPNOCJ-ZHRRBRCNSA-N 374.444 5.192 0 1 FKAF Cc1c(Cl)ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587012970 PILXUXMUTPELSZ-UHFFFAOYSA-N 368.687 5.288 0 1 FKAF Fc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c(F)c1F 587051933 VNLSPPSFWTUNBI-RNFRBKRXSA-N 357.162 5.558 0 1 FKAF Cc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1C 587052070 XKKNJWLUBPORCX-UHFFFAOYSA-N 357.240 6.414 0 1 FKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2nc(C(C)(C)C)ccc2[nH]1 587065914 DZFCLWDXZJVBIJ-UHFFFAOYSA-N 364.880 5.675 0 1 FKAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc3c(c2[nH]1)CCCC3 587150899 UPQKGOSZIKZGQM-QHCPKHFHSA-N 371.459 5.782 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587152281 LCNWVDGRPFDXNI-ZJUUUORDSA-N 356.269 5.270 0 1 FKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cnc3ccccc3c2[nH]1 587162631 HCOKUHHMALJFGK-UHFFFAOYSA-N 367.383 5.148 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587242165 IGSGATUUDWBCMG-UHFFFAOYSA-N 357.457 5.977 0 1 FKAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc1C 587359777 ZRHVUJKWOXXKBO-IFMALSPDSA-N 366.388 5.015 0 1 FKAF CC[C@]1(C)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587366950 OWFLFORDFAWCBK-RUZDIDTESA-N 371.480 6.562 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](C)Cc1ccc(C(C)(C)C)cc1)O2 587406692 UDWDTZQVIIUHIN-YCRPNKLZSA-N 351.490 5.087 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(F)(F)F)c1F)CC2=O 587459705 FMSDKBDKQBRJFK-MRXNPFEDSA-N 368.326 5.209 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Cl)ccc2C[C@H]1C 587461440 KGCOIKMHWBMWFG-XUSGNXJCSA-N 356.849 5.051 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1Cc1ccccc1)CC2=O 587485938 WCIDKRSSRGZCNR-UZUQRXQVSA-N 350.458 5.092 0 1 FKAF O=C1C[C@@H](c2ccccc2-c2cccnc2)Oc2c1ccc1c2CCCC1 587513771 FJFKKYADQBCUAZ-QHCPKHFHSA-N 355.437 5.334 0 1 FKAF Cc1[nH]c2cc(F)ccc2c1CN(Cc1ccccc1)C(=O)OC(C)(C)C 587636016 XPIJIULCNYRBGM-UHFFFAOYSA-N 368.452 5.553 0 1 FKAF CCOc1ccc(-c2[nH]c3ccc([C@@H](C)CC)cc3c2CC(=O)O)cc1F 587643885 XZWAVTNKCDTYPJ-ZDUSSCGKSA-N 369.436 5.513 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2Cl)N1 587727712 PBLVGXVLKWJZPK-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF CCCCC/C=C/[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814321 HBBCEEDPNDYNEB-AKMPQAHSSA-N 354.307 5.474 0 1 FKAF CC(C)c1ccc(-n2ncc3c2CC(C)(C)c2c-3[nH]c3ccccc23)cc1 621478356 PJIKXRLBBPIQCD-UHFFFAOYSA-N 355.485 5.978 0 1 FKAF COc1ccc(-c2cnc3c(OC4CCCCC4)snc3c2)cc1OC 653771356 YQVOITPHANWYQT-UHFFFAOYSA-N 370.474 5.087 0 1 FKAF COc1ccc2c(c1OC)[C@@](C)(CC(C)(C)C1CCCCC1)N(C)[C@@H](C)C2 962615899 AOGYAXGBOKZCFS-BXKMTCNYSA-N 373.581 5.792 0 1 FKAF C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@H]1O 1772587071 JSOBPDOKYJKCFC-XHBJBOMOSA-N 365.561 5.725 0 1 FKAF O=C(Nc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)ccc2s1 1857635422 QPKWKAUUYULSNM-UHFFFAOYSA-N 356.756 5.221 0 1 FKAF COc1c(-c2ccc(C(F)(F)F)cc2)c2ccnc3cc[nH]c(c1OC)c32 2382235244 NYAVRSJEBUALFR-UHFFFAOYSA-N 372.346 5.419 0 1 FKAF CN1CCCC[C@@H]1CCC1(c2ccc(Cl)cc2)SCCCS1 13554200 WEYUDGFFZFIESK-QGZVFWFLSA-N 356.000 5.627 0 1 FKAF CN1CCC(c2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2Cl)CC1 28472619 ZRGWHBRSFHFTGO-UHFFFAOYSA-N 369.871 5.345 0 1 FKAF CC1(C)C[C@@H](NC(=S)Nc2cccc(Cl)c2)c2cc(F)ccc2O1 35814372 KBMWBCPCHKPQJT-OAHLLOKOSA-N 364.873 5.068 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cnc(C)c1 45358619 LIQHJFUFDAHGIS-DLBZAZTESA-N 352.931 5.653 0 1 FKAF CCC[C@@H]1C(C(=O)OCC)=C(c2ccccc2)N=C(C)/C1=C(/O)SCC 100038015 DQAPCAIOIAMAQE-HGSNWSKYSA-N 373.518 5.374 0 1 FKAF CC1(C)[C@H]2C[C@H]1CC[C@H]2CNc1cc(Oc2cccc(Cl)c2)ncn1 104930694 GDUAEVNDYXEOBP-VBQJREDUSA-N 357.885 5.407 0 1 FKAF Cc1cc(C#N)cc(C)c1Nc1ccc(F)c(Nc2ccc(Cl)cc2)n1 149532214 GVGRSQPVEMNUHK-UHFFFAOYSA-N 366.827 5.850 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3c(C)c(Br)ccc3[nH]2)cc1 586881743 ZCFXYVKYHAHTGE-UHFFFAOYSA-N 357.295 5.988 0 1 FKAF CC(C)c1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(O)c(C(C)C)c1 586897096 XJJCTUNJJYJJBT-UHFFFAOYSA-N 364.276 5.884 0 1 FKAF Cc1c(Cl)ccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587004885 BESQBIUMQZCKAZ-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 587099009 WSHWIIWOSPHYRJ-UHFFFAOYSA-N 351.405 5.430 0 1 FKAF Cc1ccc2c3c(c(C(C)C)c(-c4ccccc4)nc13)-c1ccccc1C2=O 587099149 BRLWPKXRABKLIN-UHFFFAOYSA-N 363.460 6.545 0 1 FKAF Cc1cc(C)c2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1 587128596 CBOFZDGILGAFMQ-MRVPVSSYSA-N 374.769 5.514 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(F)c(C)c4[nH]3)ccc2F)cc1 587139808 XZMRQDVLINTMCK-UHFFFAOYSA-N 362.379 5.686 0 1 FKAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc3c(c2[nH]1)CCCC3)C1CCCC1 587227549 ZOCOTXHYHVOVOD-SFHVURJKSA-N 369.509 5.198 0 1 FKAF Nc1ccc(/C=C\c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 587251600 KGXAQFPNNLHUTD-GHXNOFRVSA-N 368.465 5.592 0 1 FKAF CCCC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351653 KKTGCPPMSOSECS-UDOFLQGHSA-N 368.448 5.619 0 1 FKAF CC(C)[C@]1(C)CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352593 MSQLLSTUZNOWOF-MDNUFGMLSA-N 368.448 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCc1ccccc1)(c1ccccc1)O2 587403229 LFEPVXGPJPHPDJ-VWLOTQADSA-N 371.480 5.461 0 1 FKAF COc1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cc1 587410047 KNLWIFMZWIDPBQ-GOSISDBHSA-N 365.454 5.021 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c([C@@H](C)CC)c1)CC2=O 587478998 LPLJSESWKFXBLH-RCDICMHDSA-N 368.473 5.573 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CCC(C)C)(c1ccccc1)CC2=O 587479308 DAUCBFPTTJVJKY-HSZRJFAPSA-N 352.474 5.642 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](Cc3ccccc3)C1)CC2=O 587481491 MNGTXMAEPBUIMH-HXOBKFHXSA-N 350.458 5.092 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cccs3)n1)CC2=O 587496464 XYLHLYRVJLMMTH-IBGZPJMESA-N 365.454 5.175 0 1 FKAF Cc1ccc(C)c(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511867 JXZQSYKFNACIRN-XMMPIXPASA-N 371.480 5.679 0 1 FKAF CC(C)=CC[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587816052 STNKGRXFJRIMCJ-KZULUSFZSA-N 352.291 5.084 0 1 FKAF C[C@@H]1CC(C)(C)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587818223 CYJSEHWULDWXOE-FMTVUPSXSA-N 354.307 5.164 0 1 FKAF Cc1ccc(C)c(C[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587821905 YPEDPGYXJJMEEJ-DJJJIMSYSA-N 362.286 5.023 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4cc(F)c(F)c(F)c4[nH]3)ccc2c1 587935824 VRIUJVQDQHLDNU-SNVBAGLBSA-N 356.347 5.294 0 1 FKAF CCCCc1ccc(-n2c(O)ccc2OC(C)(C)C)c(Br)c1 587936043 JNTBESHEJAWKLI-UHFFFAOYSA-N 366.299 5.465 0 1 FKAF Clc1ccc2c(n1)[C@]1(CCC2)NCCc2cc(-c3ccccc3)ccc21 962662972 DGHPHFYMIOAUFM-HSZRJFAPSA-N 360.888 5.128 0 1 FKAF C[C@@H]1CCCCCCCCCC[C@@]12NC[C@H]1CC(=O)N(C)c3cccc2c31 963038719 YAGZSRRFDKEFEG-KHCICDEESA-N 368.565 5.486 0 1 FKAF C1=CC=C([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)CC=C1 963832349 OOSVXGXKGHCOHC-XMMPIXPASA-N 368.480 5.376 0 1 FKAF CC(C)=CCc1cccc2c([C@H](C=C(C)C)[C@H]3C=C=C=C=C=C[C@@H]3N)c[nH]c12 2356471049 JCVMSAVEYTUMSJ-PFATUAPWSA-N 368.524 5.860 0 1 FKAF CCCCCC=CCC=CCCCCCCCCCCCCC(=O)O 2356536063 OGEMOELKNFXQBO-UHFFFAOYSA-N 350.587 7.835 0 1 FKAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356660340 KGECUYUTWWUGRM-FDPFYRMPSA-N 373.581 5.081 0 1 FKAF Cc1csc(CNc2ncnc3ccc(-c4ccccc4Cl)cc23)c1 36380627 DWLQSAQGQVNVSU-UHFFFAOYSA-N 365.889 5.932 0 3 FKAF COc1cc([C@H](O)c2nc(-c3csc4ccccc34)cs2)ccc1F 61930868 WJSAFJXWJYBJRI-SFHVURJKSA-N 371.458 5.254 0 3 FKAF Cc1cc(Br)cn2c(CC(C)(C)C)c(C3CCCCC3)nc12 95568348 TTZKRWOVHUNYHL-UHFFFAOYSA-N 363.343 6.042 0 3 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@H](C)CC 38146524 FSBHLSINBYYIIF-DITFXSEUSA-N 359.598 7.047 0 1 FKAF CC[C@H](C)[C@@]1(C2CC2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F 64373040 UQXDHWQVXMPCQL-DYZYQPBXSA-N 360.807 5.401 0 1 FKAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1CCN1CCCCC1 72122965 DHUUHEYALVQGSS-QFIPXVFZSA-N 367.924 5.281 0 1 FKAF CCCC[C@H](CC)CNCc1coc(-c2ccccc2Br)n1 72181872 AGAOTWUTWRPXFK-AWEZNQCLSA-N 365.315 5.410 0 1 FKAF CNc1nc2cnc(-c3cccc4ccccc34)cc2n1-c1ccccc1 74387459 GJMAGTLNLMWCBS-UHFFFAOYSA-N 350.425 5.282 0 1 FKAF FC(F)(F)c1ccc(-c2cc(N[C@H]3CCc4ccccc43)ncn2)cc1 82162104 FUGUWJIOOLTODT-KRWDZBQOSA-N 355.363 5.262 0 1 FKAF CC[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nc2c(NCC3CC3)ncnc21 82180043 YYPJURYQXBWBTH-CYBMUJFWSA-N 369.900 5.015 0 1 FKAF FC(F)(F)c1ccc(C2(OCc3ccccc3)C[C@@H]3CC[C@@H](C2)N3)cc1 101300675 MYNMNBPZOKCPBO-OALUTQOASA-N 361.407 5.032 0 1 FKAF Cc1c(Cl)cccc1Oc1cccn2c(C[C@H]3C[C@@H]4CC[C@@H]3C4)nnc12 101426898 JQYYWVQHGKKNJP-BZUAXINKSA-N 367.880 5.462 0 1 FKAF Cc1cc(C)cc(Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)c1 103229201 DVPIYGFUUGFCQK-UHFFFAOYSA-N 366.383 6.328 0 1 FKAF CCCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1cccnc1 103921826 WDVYXUJYWGUHCM-JOCHJYFZSA-N 361.445 5.038 0 1 FKAF CC1=C(CC/C(C)=C/COc2ccc3c(c2)OCC=C3)C(C)(C)[C@H](O)CC1 238760676 YZRYPZNIUFMRAE-GNBRFLJNSA-N 368.517 5.695 0 1 FKAF Cc1cccc(Cc2c(O)nc(O)nc2[C@H]2CC[C@@H](c3ccccc3)CC2)c1 254133749 ZSYRLTIXIDZION-BGYRXZFFSA-N 374.484 5.228 0 1 FKAF CSc1cccc(N=c2[nH]c(-c3nc4ccccc4s3)cs2)c1 473089695 SNWXIAPEYPCVQB-UHFFFAOYSA-N 355.513 5.307 0 1 FKAF C=Cc1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 586880936 INGJMMNXBFUGEQ-UHFFFAOYSA-N 367.168 5.654 0 1 FKAF Cc1oc2c(c1-c1nc3cccc(OCc4ccccc4)c3[nH]1)C(=O)CCC2 586904588 YAVRLHYDYMYNDW-UHFFFAOYSA-N 372.424 5.229 0 1 FKAF c1ccc(COc2cccc3nc([C@H]4Cc5ccccc5S4)[nH]c23)cc1 587043157 POEMKDWEACGHLZ-HXUWFJFHSA-N 358.466 5.531 0 1 FKAF FC(F)(F)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587055199 UOHAIVDZBLWBAS-DAXSKMNVSA-N 357.162 6.059 0 1 FKAF CSc1ccc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2c1 587073895 NNBCCRZBMRJFLR-UHFFFAOYSA-N 364.901 6.581 0 1 FKAF Clc1ccc(CC/C(=C\c2nc3ncc[nH]c-3n2)c2ccccc2)cc1 587074577 ZPNQGMAWTQZBNU-SAPNQHFASA-N 360.848 5.131 0 1 FKAF FC(F)(F)c1nc2ccc(-c3nc4ccc5c(c4[nH]3)CCCC5)cc2[nH]1 587120398 HKZYZAJAZKPUKG-UHFFFAOYSA-N 356.351 5.004 0 1 FKAF Cc1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587151652 SLCDPYVNTZSHFJ-HXUWFJFHSA-N 350.368 5.318 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cccc(NC(=O)C(C)(C)C)c4)[nH]c32)n1 587242102 PCHZRUAHIMMJOI-UHFFFAOYSA-N 358.445 5.071 0 1 FKAF CC(C)[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356004 XSKGVQPYZFLDEJ-VZPUWSDOSA-N 368.448 5.475 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(CSc1ccc(C)cc1)CC2=O 587489603 CTUNMKWUPKSCAO-OAQYLSRUSA-N 356.487 5.169 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3sccc3s1)CC2=O 587498046 YHAGZSJLYARICI-LJQANCHMSA-N 358.484 5.502 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(C(=O)C(F)(F)F)c2c1 587641107 JTSVBUQDTXQVJG-ZDUSSCGKSA-N 359.391 6.402 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)cc2)N1 587695685 CPEYRVXPIMZTIA-BMLIUANNSA-N 368.677 5.039 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C)(C)[C@@H]1CC[C@@]2(C)C1 587819606 VMWPALSTKQDQDB-CLWWGOANSA-N 366.318 5.164 0 1 FKAF C[C@H]1[C@H](c2ccccc2)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822122 IROJHRWOYIBZPK-XBMZAUBUSA-N 374.297 5.141 0 1 FKAF CC[C@@]1(c2ccc(C)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 587844501 AYMHYYZFLQICLM-QGHHPUGFSA-N 368.315 5.146 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2csc(Cl)c2)N1 587850185 YBVKXEVYUHYFMM-VXJOIVPMSA-N 374.706 5.101 0 1 FKAF CC/C(=C/c1nc2c(F)cnc(Br)c2[nH]1)c1ccc(C)cc1 587968539 UHDDSQDNXPNCEB-FLIBITNWSA-N 360.230 5.119 0 1 FKAF CC[C@H]1Cc2ccccc2[C@]12c1ccsc1CCN2Cc1cccnc1 962991767 FHQQRJHKYQGJDQ-CVDCTZTESA-N 360.526 5.027 0 1 FKAF CCCCC[C@]1(c2ccnc(Cl)c2)c2ccccc2C[C@@H](C)N1CCC 963241212 MQACLYRDDCTBGQ-JPYJTQIMSA-N 370.968 6.216 0 1 FKAF CC(C)=CCCC(C)=CCN1C(=O)[C@]2(C[C@@H](C)C[C@H](C)O2)c2ccccc21 1857622505 FCLSDSXDBAGLFT-SKPFHBQLSA-N 367.533 5.756 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)cc(CO)c(C=O)c1O 2356528579 ZVMKPMYSSLDZJO-UHFFFAOYSA-N 372.505 5.364 0 1 FKAF COc1cc(C=Cc2ccc3c(c2)OC(C)(C)C=C3)cc(OC)c1OC 2356597844 WPVCFJCNTJKNBK-UHFFFAOYSA-N 352.430 5.067 0 1 FKAF CC[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356740356 ATKIEOWZLVCTKM-POJWCORTSA-N 370.621 6.775 0 1 FKAF CC(C)(C(=O)O)c1cccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)c1 2382243715 QENLTBVPZZXVOC-UHFFFAOYSA-N 366.848 5.013 0 1 FKAF COc1ccc(/C=C/c2c(-c3ccc(OC)cc3)oc3cccnc23)cc1 15933823 BNCMGEYHWMPAIV-VGOFMYFVSA-N 357.409 5.682 0 3 FKAF Clc1cc(-c2ccccc2)nc(SCc2ccc3ccccc3c2)n1 6582559 FIDWQKRPYNBBBF-UHFFFAOYSA-N 362.885 6.243 0 1 FKAF COc1ccc([C@H]2N=C(CCc3ccccc3)N(C)Cc3ccccc32)cc1 13600298 XHOFALWHFBGANP-RUZDIDTESA-N 370.496 5.261 0 1 FKAF CCCCCCSc1nnc(-c2cccs2)n1Cc1ccccc1 28976690 GSURNJDOIOYSRX-UHFFFAOYSA-N 357.548 5.727 0 1 FKAF CC(/C=C/[C@@H]1CCCN1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O 36241998 MNVPYFNLMYKEKF-OXBIILCZSA-N 367.533 5.592 0 1 FKAF C[C@]1(CCCCCCCCCCc2ccccc2)C[C@@]2(C)OC(=O)C[C@H]2O1 38424293 PGZGTNDHESKDJB-YFNKSVMNSA-N 372.549 5.993 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cncc1Cl 45374999 JZEKBJTTZQWMAX-HZPDHXFCSA-N 373.349 5.998 0 1 FKAF CC(C)c1c(CC2CCCCC2)nc(SCc2ccccc2)[nH]c1=O 66099844 PCQWQRHENMMSLT-UHFFFAOYSA-N 356.535 5.308 0 1 FKAF O=Cc1c(C(F)(F)F)nn(-c2ccccc2)c1-c1ccc(Cl)cc1 71340392 YEBAWYVHPNUTJE-UHFFFAOYSA-N 350.727 5.024 0 1 FKAF CCCCCc1cc2c(cc1N)N[C@@H](CC(C)C)C(=O)N(CCC(C)C)C2 95585173 NIMUEDWUHURABC-QFIPXVFZSA-N 373.585 5.216 0 1 FKAF Clc1cccc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)c1 148026298 RDJLMJVDLKEBCV-UHFFFAOYSA-N 374.831 5.728 0 1 FKAF CC(C)/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 238733783 LLZNEPOHLDVAHJ-AWFOGAONSA-N 370.621 7.063 0 1 FKAF Cc1ccc(SCc2nc3cccc(OC(F)(F)F)c3[nH]2)c(C)c1 586963543 MLHZINIZZFZITF-UHFFFAOYSA-N 352.381 5.371 0 1 FKAF Cc1ccc2c3c(cc(-c4ccccc4S)nc13)-c1ccccc1C2=O 587102334 NUWLEBUXRPEDFE-UHFFFAOYSA-N 353.446 5.710 0 1 FKAF COc1ncc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1Cl 587103160 FNYNKBFAWUEXDY-UHFFFAOYSA-N 372.811 5.170 0 1 FKAF Cc1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2c1 587108920 JHBQNWXOPOVQAF-UHFFFAOYSA-N 373.147 5.459 0 1 FKAF Cc1cc(C)c2[nH]c(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)nc2c1 587145816 SFOBKAAJMSMFSX-UHFFFAOYSA-N 364.851 6.615 0 1 FKAF C[C@@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358378 XQOMPRYOBMIAHO-IRLDBZIGSA-N 354.421 5.229 0 1 FKAF COc1cccc(-c2c(C)c(-c3cccs3)nc3c2oc2ccccc23)c1 587364848 IJXNMMJIGBDSEH-UHFFFAOYSA-N 371.461 6.694 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(F)c3)s1)O2 587383784 GSQIALZLFWJOLY-QGZVFWFLSA-N 353.418 5.151 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)cc1Cl)CC2=O 587459140 CECUGYNFOGTWJQ-LJQANCHMSA-N 365.256 5.532 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CCC)([C@@H]1CCOC(C)(C)C1)CC2=O 587481945 NVCLMMMFXYWCTG-IVZQSRNASA-N 360.494 5.054 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1Cc1ccccc1)CC2=O 587487214 ZPMDTKXRLBBBAI-HOYKHHGWSA-N 364.485 5.482 0 1 FKAF O=C1C[C@]2(CC[C@H](c3ccc(F)cc3)C2)Oc2c1ccc1c2CCCC1 587504235 GXFUDROOJQUQEM-GAJHUEQPSA-N 350.433 5.376 0 1 FKAF CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc(Cl)c(F)cc12 587628438 KUYZHGJSIVLFMK-UHFFFAOYSA-N 352.192 5.458 0 1 FKAF CCOC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)c(Cl)c12 587630650 NYPDTWWRCAPMDK-UHFFFAOYSA-N 363.791 5.262 0 1 FKAF CCc1c(-c2ccc(Cl)c(Br)c2)[nH]c2cccc(F)c12 587632216 GLAJCBRDQVQAHT-UHFFFAOYSA-N 352.634 5.952 0 1 FKAF CCOC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2ccc([C@H](C)CC)cc12 587640669 ICKRGNOSXYQAGH-SECBINFHSA-N 363.326 5.512 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2F)N1 587717804 LSDRXVWMUVFOGH-PWJLMRLQSA-N 372.640 5.004 0 1 FKAF Fc1ccc(F)c(-c2csc(Cc3ccccc3Br)n2)c1 587921696 SJSBVIWQOMDELC-UHFFFAOYSA-N 366.230 5.442 0 1 FKAF Cc1ccc(-c2ccc(-c3nc(-c4ccc(F)c(F)c4)cs3)cc2)cc1 587922454 RIAPRFKLHSLDQP-UHFFFAOYSA-N 363.432 6.731 0 1 FKAF COc1ccc(C2(c3nc4ccc(C(C)(C)C)cc4[nH]3)CC3(CCC3)C2)cc1 587934524 BZJBORNIZDFWLC-UHFFFAOYSA-N 374.528 6.119 0 1 FKAF Cn1cccc1CN1CCc2sccc2[C@@]12CCCC[C@H]2c1ccoc1 962401168 VWPPRFUJHCKQJU-UGKGYDQZSA-N 366.530 5.291 0 1 FKAF CCC(C)(C)[C@]1(c2ccc(OC)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963096950 GRXBDEXCCFIETC-YKSBVNFPSA-N 367.508 5.535 0 1 FKAF Fc1ccccc1C[n+]1cccc(Cn2c3ccccc3c3ccccc32)c1 1857538379 DCPNANXTBLQSHG-UHFFFAOYSA-N 367.447 5.318 0 1 FKAF CCN(CC)C(=O)Oc1ccc2cccnc2c1-c1cccc2cccnc12 1857575562 UTHFEBDSVZRJFE-UHFFFAOYSA-N 371.440 5.291 0 1 FKAF O=C(Nc1cccc(Cl)c1)O[C@@H]1CCC12CCC(c1ccccc1)CC2 96019236 OSZKHVKWVHBNNC-LVKMRUPZSA-N 369.892 6.395 0 3 FKAF Clc1ccc2nc(-c3ccccc3Cl)c(NC3CCCCC3)n2c1 4382466 NFRHKABAUBODFM-UHFFFAOYSA-N 360.288 6.053 0 1 FKAF COc1cc(C)c(-c2ccc3cc(C)nc(C)c3c2O)c2cccc(O)c12 15121574 LUHDTHRODISRMN-UHFFFAOYSA-N 359.425 5.400 0 1 FKAF biogenic CC/C=C/CCSC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28091770 YDJGESKTURUXSO-RMPMVWNBSA-N 352.540 5.071 0 1 FKAF CCC[C@H](CC)Oc1c(OC)cc(N[C@H](C)CCCN)c2ncc(C)cc12 28221372 DNWITSZJVUGCBR-SJORKVTESA-N 373.541 5.049 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c([C@H]2C[C@@H](C)CC[C@H]2C(C)C)c(O)c1 28568001 JLGDXTIZMZJIMY-JBACZVJFSA-N 374.609 7.522 0 1 FKAF Fc1ccc(Nc2ncnc3nc(Nc4ccccc4)sc23)cc1Cl 40892017 VTPWWNYPRPJWNM-UHFFFAOYSA-N 371.828 5.366 0 1 FKAF Fc1ccc(-c2nc(N3CCCCC3)nc3c2CCc2ccccc2-3)cc1 45245416 OZJJCUNNKDPYAQ-UHFFFAOYSA-N 359.448 5.039 0 1 FKAF C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 49033626 SHOBDCUSXYTMQM-VWLOTQADSA-N 370.496 5.939 0 1 FKAF C[C@@H](NCc1coc(-c2ccccc2Br)n1)C1CCCCC1 72101295 NGTZUGPLGAXAEY-CYBMUJFWSA-N 363.299 5.163 0 1 FKAF COc1cc(-c2cscc2-c2ccc(SC)cc2)cc(OC)c1OC 72107393 QCWLTCOBQPPKLO-UHFFFAOYSA-N 372.511 5.830 0 1 FKAF CCOC(=O)CC1=C/C(=C\c2ccc(SC)cc2)c2ccc(F)cc21 84727979 IRFCAQNZMXTGGZ-XNTDXEJSSA-N 354.446 5.438 0 1 FKAF COc1ccccc1-c1nc2c([nH]1)c1c(c3ccccc32)OC(C)(C)CC1 95576189 AJIUOIIEAFPVBM-UHFFFAOYSA-N 358.441 5.495 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)C[C@]34C)[C@@H]1CC=C2c1cncc(F)c1 169268158 ODFCIEVQPDCQMI-RSHGCQMNSA-N 355.497 5.228 0 1 FKAF COc1ccc(-c2nnc(Nc3csc(-c4ccccc4)c3)s2)cc1 169350788 ZLUQYXCLXBYIJR-UHFFFAOYSA-N 365.483 5.686 0 1 FKAF CCc1ccc(Nc2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1 199118943 DZOLSFQHNWSXLW-UHFFFAOYSA-N 357.413 5.386 0 1 FKAF CCc1noc(CC)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC 224926889 CKQYQLKQWQCCMP-UHFFFAOYSA-N 355.825 5.158 0 1 FKAF COc1cccc2c(NCc3ccccc3)nc(CCc3ccccc3)nc12 261183198 WOPOHSOCASJJIG-UHFFFAOYSA-N 369.468 5.036 0 1 FKAF CC(C)=CCOc1cccc2c1C(=O)c1c3c(n(C(C)C)c1-2)CCCC3=O 299819593 ASEWRAJBWVJKHM-UHFFFAOYSA-N 363.457 5.144 0 1 FKAF O=C(CC1CC1)OCc1cn(Cc2cccc(Cl)c2)c2ccccc12 299823127 SJCTXGUILCBBEE-UHFFFAOYSA-N 353.849 5.186 0 1 FKAF CSc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587044175 QZTZYNLDQXMDPG-UHFFFAOYSA-N 374.556 5.342 0 1 FKAF Clc1ccc(-c2cnccc2-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 587076079 IHUGNEIWGMNLRH-UHFFFAOYSA-N 359.860 5.824 0 1 FKAF Cc1ccnc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc12 587081992 BQULQCAPLMEZSB-UHFFFAOYSA-N 370.843 5.802 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C(C)C)CCC3)c1 587367849 XYPBDTHKWGQEJM-SFHVURJKSA-N 371.480 6.733 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C(C)(C)C)ccc1O)CC2=O 587478728 BRRUGNPWFSQPGZ-FQEVSTJZSA-N 354.446 5.054 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc([C@H](C)CC)ccc1OC)CC2=O 587478840 KMSQXAHUMHCEBF-PEBXRYMYSA-N 368.473 5.573 0 1 FKAF CCCc1c(O)ccc2c1O[C@](Cc1ccc(C)cc1)(C1CC1)CC2=O 587479290 CXGCAWDZZDGACI-QHCPKHFHSA-N 350.458 5.010 0 1 FKAF CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1-c1ccc2ccccc2n1 587632560 JXMGEVHMHOFRSQ-UHFFFAOYSA-N 368.795 5.352 0 1 FKAF CC/C=C\CCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587817271 BBFFSUXSCRRMCS-GAHBAMCVSA-N 368.334 6.080 0 1 FKAF COc1ccc(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 587941389 OFZAGBJEZQDEIC-UHFFFAOYSA-N 361.439 5.459 0 1 FKAF Clc1ccc2c(c1)CCN[C@@]2(CCc1ccccc1)Cc1ccccc1 963381296 UHYKHIMPBFYMPA-DEOSSOPVSA-N 361.916 5.557 0 1 FKAF CC12CCCC(C(=O)Nc3nc4c(F)c(F)c(F)cc4s3)(CCC1)C2 1857652686 XVGGFWWZXXVBJO-UHFFFAOYSA-N 368.424 5.403 0 1 FKAF CC(=O)CCCCCCCCCCCC[C@@H]1CC[C@H](OC(C)=O)[C@H](C)N1 2356380590 LRKWDKCSHJWJST-NNWRFLSQSA-N 367.574 5.329 0 1 FKAF CC1=CSC2=NC(/C=C/c3ccc(C)cc3)=C[C@H](c3ccc(C)cc3)N12 2382254688 SHOOADDFKPDHNC-KCQSEKJDSA-N 358.510 6.222 0 1 FKAF CC(=O)O[C@@]1(c2ccccc2)Sc2c(Cl)cccc2-n2cccc21 13651984 XKYTWYHHWUGWBX-IBGZPJMESA-N 355.846 5.001 0 1 FKAF CCCCCCO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13671463 WZUFCJOKVUYXDX-APGKHBHUSA-N 374.609 6.564 0 1 FKAF CCCC(=O)Nc1cc(-c2sc(CC)nc2-c2cccc(C)c2)ccn1 13673380 BMOINXPPDNBEDH-UHFFFAOYSA-N 365.502 5.482 0 1 FKAF N[C@@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 22941555 VLYDOPDGRZIDMW-VXKWHMMOSA-N 362.904 5.204 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)NCCC 38146744 GWYNSOMCLKQLNL-AIBIWWTJSA-N 360.586 6.451 0 1 FKAF O=C(Nc1ccc(Cl)cc1)[C@H](Oc1cccc2ccccc12)C1CC1 42922372 GCKVPTPQJRLQIO-HXUWFJFHSA-N 351.833 5.289 0 1 FKAF C[C@@H](Nc1nc(NCc2ccccc2)c2sccc2n1)c1ccccc1 45187957 FIZIJTHWADSUBV-OAHLLOKOSA-N 360.486 5.477 0 1 FKAF CCO[C@H](c1ccc(C(F)(F)F)cc1)[C@H](SC(C)(C)C)n1ccnc1 45393039 QPZWFNIAKRQNMF-CVEARBPZSA-N 372.456 5.710 0 1 FKAF CC(=O)N1N=C(c2cccc3ccccc23)C[C@@H]1c1ccc2ccccc2c1 66111954 YMNGQYYCAIINOT-RUZDIDTESA-N 364.448 5.691 0 1 FKAF O=C(NCCC1CCCCC1)N1C2=C(CCCC2)S[C@@H]2CCCC[C@@H]21 72142432 FRFCVZLQVMCKFN-PKOBYXMFSA-N 362.583 5.812 0 1 FKAF C[C@H](c1cccc2ccccc12)N(C)Cc1ccccc1-c1ccccc1 96930050 PJZQGRDACGNVIE-HXUWFJFHSA-N 351.493 6.700 0 1 FKAF CCCn1ncc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1C 587097621 OSWXWHPDIGEGQZ-UHFFFAOYSA-N 367.452 5.337 0 1 FKAF CCCC[C@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587102181 ZBSOFRBWFBRSFS-INIZCTEOSA-N 355.481 6.050 0 1 FKAF O=C(O)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587163106 HJAUYQVGKXWBPM-GDNBJRDFSA-N 364.401 5.051 0 1 FKAF Fc1ccc2[nH]cc(Cc3nc4ccc(Oc5ccccc5)cc4[nH]3)c2c1 587175207 SGKRPNIXHICWKE-UHFFFAOYSA-N 357.388 5.566 0 1 FKAF COc1cccc(-c2c(C3CCCC3)c(C)nc3c2oc2ccccc23)c1 587364947 GVSBSKGEDUDJIZ-UHFFFAOYSA-N 357.453 6.623 0 1 FKAF CCCC[C@H](CC)c1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366086 RCYXUIVBDIGFHN-KRWDZBQOSA-N 373.496 7.340 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccccc3F)s1)O2 587386694 WDBFJNXUFPHOEF-OAQYLSRUSA-N 367.445 5.325 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1cc(F)ccc1F)(C(C)C)CC2=O 587466780 OCGDDYDNDVYKGN-NRFANRHFSA-N 360.400 5.140 0 1 FKAF Cc1oc(-c2ccccc2)nc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587515276 MZKTUCATFZRSNY-DEOSSOPVSA-N 373.452 5.409 0 1 FKAF Cc1cc([C@@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)s1 587531006 HXKQWNSRNQNNPT-QFIPXVFZSA-N 354.515 5.760 0 1 FKAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587540459 AIVLMNGFVIWMCM-GHTZIAJQSA-N 366.800 5.057 0 1 FKAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)C(F)(F)F)c(C(C)(C)C)[nH]c12 587624281 JEQPXQDUCGBRFQ-UHFFFAOYSA-N 367.745 5.808 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc(Cl)cc3C)c2c1 587640766 JEGXPWSKPSJSOT-LBPRGKRZSA-N 354.881 6.204 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(C)(C)C)c(Cc3ccc(Cl)cc3)c2c1 587642506 SVEFOLBACLTQBQ-HNNXBMFYSA-N 353.937 7.223 0 1 FKAF CCc1ccc(C(=O)c2c(C(F)F)[nH]c3ccc([C@H](C)CC)cc23)cc1 587643099 RIRSQKIOMZDBKD-CYBMUJFWSA-N 355.428 6.412 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccccc2Cl)N1 587696093 KWFAORTYXPWZRG-BMIGLBTASA-N 368.677 5.060 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]3CCCC[C@H]32)N1 587820385 ABYWZBHHURUGGD-DZDCQFRTSA-N 366.318 5.308 0 1 FKAF CCc1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 587957680 PFOLLJGQPPJQGH-UHFFFAOYSA-N 358.526 6.044 0 1 FKAF c1ccc(COc2cccc3nc(C[C@@H]4C[C@H]4c4ccccc4)[nH]c23)cc1 587962746 ZXQNWVAKLCMNNJ-PMACEKPBSA-N 354.453 5.488 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCC[C@H](c3ncccc3C)C2)N1 962942628 BQIKBYBHHYXURE-HOOSLVGPSA-N 359.517 5.349 0 1 FKAF CC(C)=CCC/C(C)=C/Cn1cc(CNC2CCCC2)c2cc(F)ccc21 1772633111 CWWSIEDTQVKHOC-CPNJWEJPSA-N 368.540 6.505 0 1 FKAF O=C(Nc1ccccc1-c1cccc2c1[nH]c1ccccc12)C(F)(F)F 1857757850 NARMPOAUVRVRNX-UHFFFAOYSA-N 354.331 5.489 0 1 FKAF CN(C)Cc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3)cn12 1857765842 KPKXKPKNNOVTDC-UHFFFAOYSA-N 361.876 5.383 0 1 FKAF CSc1ccc(O[C@@]2(C)CCN(Cc3cc4ccccc4o3)C2)cc1 61906936 YDATWSJWHAYKPR-NRFANRHFSA-N 353.487 5.198 0 3 FKAF COc1ccccc1Cc1c(-c2ccco2)nc2c3ccccc3ccn12 95567680 MUFFVQAPIUXWLE-UHFFFAOYSA-N 354.409 5.347 0 3 FKAF COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@H]2c1ccc(O)cc1 6257778 PHKFTVVFCJTISE-GOTSBHOMSA-N 360.453 5.488 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 13437768 PTKPSYLXJIYGGX-QGZVFWFLSA-N 371.540 6.921 0 1 FKAF Cc1cc(O)ccc1Nc1nc(N(C)c2ccccc2)c2ccccc2n1 13742296 WAUGXAPVZWOOPR-UHFFFAOYSA-N 356.429 5.155 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@H]1CCc2cc(O)ccc2C1 27622102 HVCFPRYPNNIRLL-BMGIKHKRSA-N 366.589 7.697 0 1 FKAF COc1ccccc1CCC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1 28134292 JUWYIWVRSCNDPH-PSWAGMNNSA-N 356.469 5.112 0 1 FKAF CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC 38147907 HRMXTCJALNSXBX-BUYFNONLSA-N 362.554 6.056 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H]1CC(=O)C[C@@H](CC(=O)O)C1 40505857 VBWHTIYEOJJJIV-YCLJFQDUSA-N 358.522 6.032 0 1 FKAF CC(C)CCNc1nc2ccccc2nc1Nc1cccc(C(F)(F)F)c1 45187012 MFBFYWQWLXEPJV-UHFFFAOYSA-N 374.410 5.850 0 1 FKAF O=C(O)c1ccccc1-c1ccc(CCc2ncc(C3CCCCC3)[nH]2)cc1 49114401 JFVQHPLFAVNTMN-UHFFFAOYSA-N 374.484 5.608 0 1 FKAF O=c1c(Cl)cn(Cc2coc(-c3cccc4ccccc34)n2)cc1Cl 72186261 XGWROJNSFQLDAR-UHFFFAOYSA-N 371.223 5.012 0 1 FKAF Oc1cccc(-c2cc(-c3ccncc3)nc(-c3ccc(Cl)cc3)c2)c1 95555531 IPMGGLMHBVQDBN-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF CC(C)(C)N[C@@H](c1ccc(Cl)cc1)c1ccc(-c2cccnc2)cc1 103265727 ZWPJICWYFDUWEG-OAQYLSRUSA-N 350.893 5.880 0 1 FKAF Fc1cc(Cl)ccc1Nc1nc(-c2c(Cl)cccc2Cl)cs1 103279078 GXFCOJDVOZNIFQ-UHFFFAOYSA-N 373.667 6.653 0 1 FKAF C[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(NC(=O)c3cccs3)cc2)C1 147691861 KYZPYMRHXJBPAD-IEZWGBDMSA-N 354.519 5.121 0 1 FKAF Cc1ccc(CNc2nc(NCc3ccccc3)nc3ccccc23)cc1 169337359 POLDGQDRLUXXHB-UHFFFAOYSA-N 354.457 5.162 0 1 FKAF Cc1ccc2c(c1)N[C@H](c1ccccc1Cl)[C@H]1C(=O)CC(C)(C)CC1=N2 169722112 YSUCDOUMZGRCJO-NHCUHLMSSA-N 366.892 5.893 0 1 FKAF COc1cc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2cc1Cl 586898353 HUMPXZCNZUEXBW-UHFFFAOYSA-N 350.805 5.265 0 1 FKAF Cc1c(Cl)ccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005239 DPYRCNPWWDFVGF-UHFFFAOYSA-N 357.038 5.003 0 1 FKAF FC(F)(F)Oc1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023306 IIDTUOPEDSLFRS-UHFFFAOYSA-N 367.377 5.314 0 1 FKAF Fc1cc2[nH]c(-c3ncsc3-c3ccccc3)nc2cc1Br 587028522 UZQOAPIUFJULRV-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 587086612 BCCXZEBAOSWXHP-UHFFFAOYSA-N 370.161 6.037 0 1 FKAF Nc1cc2c(cc1Cl)Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587104644 VXYJKVFNRGQHNJ-UHFFFAOYSA-N 368.823 5.253 0 1 FKAF CCCc1c(-c2cccnc2)nc2cccc3c2c1-c1ccccc1C3=O 587108279 YQDNOVPUXUXRDB-UHFFFAOYSA-N 350.421 5.461 0 1 FKAF COc1ccc(Cl)c(-c2ccc(-c3nc4c(C)nccc4[nH]3)cc2F)c1 587143432 SCLOPYLJYJMBQA-UHFFFAOYSA-N 367.811 5.401 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](C1CCC(C(F)(F)F)CC1)CC2=O 587463901 DHMHLOPYLAOJOX-VCMHEYGDSA-N 356.384 5.047 0 1 FKAF CCCC[C@]1([C@@H]2CCOC(C)(C)C2)CC(=O)c2ccc(O)c(CCC)c2O1 587485504 WBCPNMVBQPMYGS-WAIKUNEKSA-N 374.521 5.444 0 1 FKAF O=C1C[C@](Cc2ccccc2)(c2ccncc2)Oc2c1ccc1c2CCCC1 587515491 ORLWDNLKHDJVHN-RUZDIDTESA-N 369.464 5.064 0 1 FKAF Cc1c(-c2ccc(Br)cc2F)[nH]c2c(C)cc(Cl)cc12 587624516 LAYRCTPQEGABRJ-UHFFFAOYSA-N 352.634 6.007 0 1 FKAF COc1ccc(Cl)cc1-c1[nH]c2c(C)cc(Cl)cc2c1C(F)(F)F 587624703 RYWPKNRFKUJFEW-UHFFFAOYSA-N 374.189 6.478 0 1 FKAF Cc1[nH]c2cccc(F)c2c1Oc1ccc2cc(Br)ccc2c1 587632610 LWPCBDHSNQEFDI-UHFFFAOYSA-N 370.221 6.323 0 1 FKAF CC1CCN(CCc2c(-c3ccc(F)cc3)[nH]c3cc(F)ccc23)CC1 587634687 PDHISZPQRNAGNT-UHFFFAOYSA-N 354.444 5.388 0 1 FKAF CCCC[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587704970 KDZMKKKLAPNJPJ-YMTOWFKASA-N 368.212 5.070 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCC3(CC2)CC3)N1 587822176 JCKLWZSECZQEGX-APPDUMDISA-N 352.291 5.134 0 1 FKAF CC(C)[C@H]1CC[C@H](C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824889 ATAKSFXTICDOLC-FAYLSGKYSA-N 368.334 5.410 0 1 FKAF CCc1ccc2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)[nH]c2c1 587927568 RIVBFTBFKNEDJT-UHFFFAOYSA-N 374.440 5.182 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2cc(Br)c(F)c(F)c2[nH]1 587954878 HEUYWMRXPHKPJJ-UHFFFAOYSA-N 365.221 5.238 0 1 FKAF Cc1cc(C)cc(CC[C@@]2(C3CCCC3)NCCc3ccc(F)c(C)c32)c1 962149538 WWRHOZMUFWNGPP-VWLOTQADSA-N 365.536 5.915 0 1 FKAF CN(C/C=C/c1cccc(C(F)(F)F)c1)Cc1ccc2c(c1)OCCC2 1772607982 WWOVPMRGQUCTBL-ZZXKWVIFSA-N 361.407 5.176 0 1 FKAF Fc1cccc(Nc2ccnc3cc(OCCCc4ccccc4)ccc23)c1 1857597619 LOTGLEFHPSPSKS-UHFFFAOYSA-N 372.443 6.129 0 1 FKAF COc1cccc(NCc2ccc(Oc3c(N)cccc3Cl)cc2)c1 1857608008 XQQWLYKHCORLFB-UHFFFAOYSA-N 354.837 5.335 0 1 FKAF Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2-c2ccc3ccccc3c2N1C 1857762530 DLJUMLIZCIGZRP-MHZLTWQESA-N 374.487 6.836 0 1 FKAF Clc1ccc(COc2cncc(-c3c[nH]c4nccc-4c3)c2)c(Cl)c1 1857773777 SZFODPDRQQPTIJ-UHFFFAOYSA-N 370.239 5.462 0 1 FKAF C[C@@H]1CC[C@@H]2CC[C@@H]3C(=C[C@]4(C)[C@H](O)C[C@]5(C)CCC(C)(C)[C@@H]5[C@@H]34)[C@@]12C 2356620591 YIPZSYQSAKRRRI-PQSDSIBXSA-N 356.594 6.218 0 1 FKAF C[C@H]1Cc2ccccc2N1C(=O)c1cc2sccc2n1Cc1ccccc1 4970864 JQAZPYMKXGCTKE-INIZCTEOSA-N 372.493 5.343 0 3 FKAF CCCCNc1c(-c2ccc(S[C@H](C)CC)cc2)nc2cnccn12 61959834 CKOYFRGAOVPNAD-OAHLLOKOSA-N 354.523 5.499 0 3 FKAF CN1CCC(=C2c3ccccc3C=Cc3ccc(Br)cc32)CC1 13600922 NSSCINRMNOIVGT-UHFFFAOYSA-N 366.302 5.460 0 1 FKAF C1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2ccccc12 27300802 RTRAPBQOJODDGH-PTGBLXJZSA-N 367.492 5.500 0 1 FKAF O=C(O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CSCC1CCCCC1 28097988 NWFGCXFIIAQPKD-FXHPDEQQSA-N 366.567 5.295 0 1 FKAF CCCCCC[P@@](=O)(OCC)OCc1cc(OC)c(OC)c(OC)c1 28644683 LACYNGJPKQCAMC-RUZDIDTESA-N 374.414 5.039 0 1 FKAF Cc1cccc(NC(=O)Nc2ccc(-c3cc4c(N)nccc4s3)cc2)c1 28703824 GLCRZKPYIZKGGZ-UHFFFAOYSA-N 374.469 5.498 0 1 FKAF C=C(c1cc(Cl)cc(Cl)c1OCc1ccsc1)n1ccnc1 28765672 NYVZIXJQAXEWLE-UHFFFAOYSA-N 351.258 5.349 0 1 FKAF CCNC(=O)OC(C)(C)CCC[C@@H](C)C/C=C/C(C)=C/C(=O)OC(C)C 29306246 IFCKGYGEQKFFKE-ZNAIMKFASA-N 367.530 5.162 0 1 FKAF ClC(Cl)(Cl)c1nc(NC2CCCCCC2)c2ccccc2n1 43080752 ROJDCXRGENVNCH-UHFFFAOYSA-N 358.700 5.591 0 1 FKAF CCOC(=O)/C=C/c1cc(-c2ccc(-c3cccc(O)c3)s2)ccc1O 45317112 BSXVORFVCBTUTJ-YRNVUSSQSA-N 366.438 5.070 0 1 FKAF Clc1cccc(C(Nc2cccnc2)(c2ccccc2)c2ccccc2)c1 45371770 JDIOBAYSDICVBP-UHFFFAOYSA-N 370.883 6.139 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OCCC1=C2C[C@@H](C)CC1 59944794 DWKQOWNAPBCOCM-KRWDZBQOSA-N 356.550 6.996 0 1 FKAF CCN(CC)Cc1cn(CC=C(C)C)c2ccc(-c3cccc(C)c3)cc12 64549367 KQAJIRCVJGRVCT-UHFFFAOYSA-N 360.545 6.425 0 1 FKAF COc1cccc(NCC[C@]2(c3ccc(F)cc3)CCOC(C)(C)C2)c1 72112346 FSVYPXSGQVKMGG-QFIPXVFZSA-N 357.469 5.163 0 1 FKAF CCc1nc(-c2ccc(Cl)cc2Cl)c(C)nc1NC(CC)CC 72177268 DZAWPVOTMWTAAR-UHFFFAOYSA-N 352.309 5.922 0 1 FKAF CCCCCCCCCCCCCCCCCCC[C@H](OC)C(=O)O 85857459 USDOHENHURQUMO-NRFANRHFSA-N 356.591 7.128 0 1 FKAF biogenic CC[C@@H](COc1cc(Cl)cc(Cl)c1)OC(=O)NCc1ccccc1 103194002 KBBQWDMNUIBGNP-INIZCTEOSA-N 368.260 5.077 0 1 FKAF COc1ccc2c(c1)cc(-c1ccsc1)n2Cc1cccc(C(=O)O)c1 169701308 ZYUCYEGMBITLJA-UHFFFAOYSA-N 363.438 5.125 0 1 FKAF CC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(C(C)(C)C)cc1 584904769 CLHRGZJEUJPOLB-UHFFFAOYSA-N 358.481 6.374 0 1 FKAF in-vitro FC(F)(F)c1cc(Cl)c2nc(-c3ccc(Br)o3)[nH]c2c1 587007383 JWPAEJVXADOYFT-UHFFFAOYSA-N 365.536 5.258 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CN(C1CCCC1)CC4)-c1ccccc1C2=O 587098805 WDFJREZACBNIQO-UHFFFAOYSA-N 368.480 5.055 0 1 FKAF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1Cl 587104494 SDCMPOZZPYIFRU-UHFFFAOYSA-N 355.824 6.075 0 1 FKAF Cc1c(-c2ccnc(Cl)c2)nc2cccc3c2c1-c1ccccc1C3=O 587104508 SKXVGNTZKCERAA-UHFFFAOYSA-N 356.812 5.470 0 1 FKAF Cc1cc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2cc1C 587122701 WOWMPNZQQULYNM-UHFFFAOYSA-N 371.362 5.602 0 1 FKAF O=C(c1c(Cl)cc(Cl)cc1Cl)c1coc2ccc(Cl)cc12 587278480 OGXIDVKCEWCVRV-UHFFFAOYSA-N 360.023 6.277 0 1 FKAF CC(C)(C)C[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359212 ZWGXAJNIEVAHRN-NFBKMPQASA-N 368.448 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cccc(Cl)c1C)O2 587377362 WTLWMCWHLDUDDM-HXUWFJFHSA-N 366.848 5.036 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC(C)(C)[C@@]34CC[C@@H](C3)C(C)(C)[C@H]14)O2 587410252 ZENKAAPMYZIQPD-QRENOOHASA-N 367.533 5.544 0 1 FKAF O=C1C[C@]2(CCc3ccc(Cl)cc3C2)Oc2c1ccc1c2CCCC1 587501688 PXYZDNBYISJZGQ-JOCHJYFZSA-N 352.861 5.112 0 1 FKAF CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 587508257 AGTRVRGNWJQXMB-XMMPIXPASA-N 371.480 5.491 0 1 FKAF CCCCCC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521490 FUNSMICRRCHRCF-RUZDIDTESA-N 362.513 6.397 0 1 FKAF COc1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C 587526422 SSNCKJVOKCZNIW-NRFANRHFSA-N 350.458 5.206 0 1 FKAF O=C1C[C@]2(CCCC[C@H]2C2CCCCC2)Oc2c1ccc1c2CCCC1 587527372 UOEAVCYNQXVWNY-URXFXBBRSA-N 352.518 6.040 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CC1CCCCCC1 587602394 JUPWMUQTDAGWIB-VQTJNVASSA-N 352.430 5.083 0 1 FKAF O=C(c1c(-c2cccs2)[nH]c2cccc(F)c12)C(F)(F)C(F)(F)F 587633618 IDQYHTDVKBEKEW-UHFFFAOYSA-N 363.282 5.416 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccccc2F)N1 587731754 ZLOXLLRFCMWYBA-VIAWVNRKSA-N 364.233 5.016 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 587780184 MZXOXWONVRAYPU-UHFFFAOYSA-N 358.397 5.024 0 1 FKAF CCCCCC[C@]1(c2ncco2)NCCc2c(Cl)cc(Cl)cc21 963123226 PHQQLPWCMZOSHW-SFHVURJKSA-N 353.293 5.341 0 1 FKAF Cc1cc(C)c2nc(Cl)c([C@H]3NCCc4cccc(Cl)c43)cc2c1 963390597 LFUANHUNRJXASQ-LJQANCHMSA-N 357.284 5.394 0 1 FKAF Cc1cc(-c2nccc3c(Nc4ccccc4Cl)c(N)oc23)ccn1 1857766554 MPFLMYUYSTYXND-UHFFFAOYSA-N 350.809 5.177 0 1 FKAF Clc1cccc(Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)c1 72119002 PYVZEIBGEUQNQQ-UHFFFAOYSA-N 353.252 5.899 0 3 FKAF c1ccc(-c2nc(-c3ccc(OCCCn4ccnc4)cc3)cs2)cc1 1537259 NVBFKBABKAABMN-UHFFFAOYSA-N 361.470 5.143 0 1 FKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCC(C)(C)c1ccccc1 2012934 UKGNTMOVWAOFLA-UHFFFAOYSA-N 352.522 6.033 0 1 FKAF Fc1ccc([C@@H](c2ccn(-c3ccc(Cl)cc3)c2)n2ccnc2)cc1 28239882 JCDQIFZYGBRUER-FQEVSTJZSA-N 351.812 5.104 0 1 FKAF O=c1c(-c2ccccc2)c(SCc2ccccc2)oc2cc(O)ccc12 28385081 FSLFLLBAHLFMPK-UHFFFAOYSA-N 360.434 5.458 0 1 FKAF CCC[C@H](C)C(=O)Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 28455959 HUWWPFVDPYIAFM-ZDUSSCGKSA-N 373.522 5.190 0 1 FKAF CCN(CC)CCCCOc1ccc(/C=C/c2nc3ccccc3o2)cc1 29473749 BHFGHVSUOSURBA-DTQAZKPQSA-N 364.489 5.499 0 1 FKAF O=C(Nc1nccs1)/C(=C/C1CCCC1)c1ccc(Cl)c(Cl)c1 38445125 LPANTTLHGJJATA-UKTHLTGXSA-N 367.301 5.662 0 1 FKAF O=C(c1ncc(-c2ccccn2)o1)[C@H]1Cc2ccc(-c3ccccc3)cc2C1 71319223 PSEIFDCGCHBTAX-FQEVSTJZSA-N 366.420 5.001 0 1 FKAF c1coc(CNCCCNc2ccnc3cc(C4CCCCC4)ccc23)c1 72124823 GNHDRXQNHMTCLD-UHFFFAOYSA-N 363.505 5.467 0 1 FKAF Cc1c(C)c(O)c(/C(=C/CCCCC(=O)O)c2ccccc2)c(C)c1O 169721370 RADRBZBLNXVQEU-LDADJPATSA-N 354.446 5.100 0 1 FKAF Cc1ccc2c(c1)N[C@@H](c1ccccc1Cl)[C@@H]1C(=O)CC(C)(C)CC1=N2 169722109 YSUCDOUMZGRCJO-SFTDATJTSA-N 366.892 5.893 0 1 FKAF N#Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 206096637 JQPWLGSLPUPUQJ-UHFFFAOYSA-N 363.342 5.787 0 1 FKAF O=c1ccc2cc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)ccc2o1 586917091 DJBRKMJSRYQWJC-UHFFFAOYSA-N 354.365 5.129 0 1 FKAF Fc1cccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586975262 LBGALELICPQXQH-UHFFFAOYSA-N 360.013 5.438 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C[C@@H]4c1cccc(F)c1)-c1ccccc1C2=O 586994667 BFGJADWXCOHJMB-LJQANCHMSA-N 365.407 5.582 0 1 FKAF CC(C)Oc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587032399 JODRFMQKZCDDAM-UHFFFAOYSA-N 363.486 5.358 0 1 FKAF Cc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1C 587042954 WNUNVQLQRHJCAD-UHFFFAOYSA-N 356.516 5.237 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccnc2[nH]1 587072279 QGCBNQMBCVUTIG-RYIXIWMISA-N 358.272 5.631 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc5nc[nH]c5c4)nc13)-c1ccccc1C2=O 587098565 ZYZVNCMPCFNJFR-UHFFFAOYSA-N 361.404 5.298 0 1 FKAF C[C@@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1C(F)(F)F 587099197 ZCWVKKATPSHBTJ-MRVPVSSYSA-N 359.273 5.147 0 1 FKAF CCc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587138194 ZRHUMRVPDQWPNA-UHFFFAOYSA-N 353.622 5.347 0 1 FKAF Cc1ccc(/C=C\c2nc3cc(Br)cc(Cl)c3[nH]2)cc1F 587146816 XPQSMRFQGYYMSF-PLNGDYQASA-N 365.633 5.597 0 1 FKAF Fc1ccc(/C=C(/c2nc3c(Cl)ccnc3[nH]2)c2cccs2)cc1 587164102 NXSWHZZJFLGCEO-JLHYYAGUSA-N 355.825 5.401 0 1 FKAF O=C(O)c1ccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)c(F)c1 587210593 RSZFSUQINBXYCB-UHFFFAOYSA-N 369.395 5.505 0 1 FKAF Cc1ccc(C)c(Nc2nc(C)c(-c3cc4c5c(cccc5n3)CC4)s2)c1 587361572 VXNVDFBXHVAJOT-UHFFFAOYSA-N 371.509 6.126 0 1 FKAF COc1cccc(-c2c(C3CCOCC3)c(C)nc3c2oc2ccccc23)c1 587365884 KNDRBHKYTPTBLZ-UHFFFAOYSA-N 373.452 5.859 0 1 FKAF COc1cccc(-c2c([C@@H]3CCOC3)c(C)nc3c2oc2ccccc23)c1 587367183 UJQOJSFAOWJWQD-MRXNPFEDSA-N 359.425 5.469 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1oc3ccc(F)cc3c1C)CC2=O 587471136 IZLLLCGOUBEVBD-IBGZPJMESA-N 354.377 5.245 0 1 FKAF O=C(Nc1cccnc1)c1c(-c2ccccc2)[nH]c2cc(Cl)c(F)cc12 587631109 GQZAWDKUBZFTCQ-UHFFFAOYSA-N 365.795 5.275 0 1 FKAF CCCCC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813775 PSYDSMRXHXJCMZ-ORAYPTAESA-N 370.350 5.944 0 1 FKAF CCCC/C=C/C=C/[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587820985 SACRZIAMGJHMFR-NAEBCSNGSA-N 352.291 5.466 0 1 FKAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587841774 CKUHFVOFGPYZHY-HUTHGQBESA-N 368.315 5.064 0 1 FKAF C[C@H]1C[C@@H](C)CN(CCCCC(=O)n2c3ccccc3c3ccccc32)C1 653687474 RECOEEREFSFUIN-KDURUIRLSA-N 362.517 5.583 0 1 FKAF COc1ccc2c(c1)[C@@](C)(C(CC=C(C)C)CC=C(C)C)N(C(C)C)CC2 962095540 UZZXABPXLDABHV-RUZDIDTESA-N 369.593 6.506 0 1 FKAF c1coc(CN2CCc3sccc3[C@H]2c2ccc(-c3ccsc3)o2)c1 962709079 QWXMNTDPSMGONR-FQEVSTJZSA-N 367.495 5.810 0 1 FKAF CC1(C)CC(Nc2nc(-c3ccc4ccccc4c3)cs2)CC(C)(C)N1 1772630771 RLZDAMRDXZFEIF-UHFFFAOYSA-N 365.546 5.684 0 1 FKAF Fc1ccc2c(c1)c(CN1CCCCC1)cn2CCCc1ccccc1 1772638029 BKDJCJJGWIPCIQ-UHFFFAOYSA-N 350.481 5.399 0 1 FKAF CC1=C[C@H](O)[C@]2(C)[C@H](O)C[C@@H]3[C@]4(C)CC[C@H](C(C)C)C4=CC[C@@]3(C)[C@H]2CC1 2356323275 ARODMLJYCSKEHM-GWOAHVOVSA-N 372.593 5.499 0 1 FKAF CC1=C2C[C@@]3(C[N@]4C[C@]45CC[C@H](CCCO)C5)CC[C@H](C)[C@@]2(CC1)C3(C)C 2356501340 WGPUEWMIWBAADN-BOTQWXNASA-N 371.609 5.556 0 1 FKAF CC(C)=CCCC(C)=CCC[C@@]1(C)CC(=O)c2cc(C(=O)O)ccc2O1 2356737851 WGCDLRCGHUQPCD-QFIPXVFZSA-N 356.462 5.582 0 1 FKAF CC(=O)Oc1ccc(O)cc1C[C@]1(C)[C@H](C)CC[C@]2(C)C(C)=CCC[C@@H]21 2356803189 WUPXFGNCTYEWMM-OVSDDOEQSA-N 356.506 5.659 0 1 FKAF C[C@]12C[C@H](c3ccccc3)Nc3ccccc3N1C(c1ccccc1)=NO2 3589294 MZCPLTSWSRVBOM-OFNKIYASSA-N 355.441 5.158 0 1 FKAF COc1ccc2nc3n(c2c1)[C@H](c1c(Cl)cccc1Cl)SC3 5544230 CNSSBTHBGFLIDJ-INIZCTEOSA-N 351.258 5.145 0 1 FKAF O=C(Nc1ccccc1Cl)C1[C@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 13151830 IZWQCYGTDFVOLL-XDYBTGMQSA-N 358.696 5.135 0 1 FKAF CCN(CC)CCOc1ccc(/C(=C\C(C)C)c2ccc(O)cc2)cc1 13605655 OLEOZDOZISINBP-QJOMJCCJSA-N 353.506 5.201 0 1 FKAF Oc1ccc(/C=C/c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1 28712436 UFPFWIFCEOCPAK-UHFFFAOYSA-O 372.473 5.039 0 1 FKAF CSc1nc(-c2ccnc(N[C@H](C)C(C)C)c2)c(-c2ccc(F)cc2)[nH]1 40420216 ZUDZFZSAHJQBSP-CYBMUJFWSA-N 370.497 5.456 0 1 FKAF FC(F)(F)C(F)(F)C(=C(c1ccccc1)c1ccccc1)c1ccccc1 43442919 XFAYPKUEIVCBLB-UHFFFAOYSA-N 374.352 6.843 0 1 FKAF NC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1 45337970 BDEPEXOFFGBLLA-SGTLLEGYSA-N 369.723 5.563 0 1 FKAF CC1=CCCN(CCCCCCCCCCCCN2CCC=C(C)C2)C1 66258785 IOUJUZLWHYIUKD-UHFFFAOYSA-N 360.630 6.191 0 1 FKAF C[C@@H](CCc1ccccc1)Nc1cc(Oc2ccc3ccccc3c2)ncn1 82067599 JFGGXKZESVWMGM-SFHVURJKSA-N 369.468 5.855 0 1 FKAF COc1ccc(/C=C2\C(c3ccc(Cl)cc3)=NN=C2C(F)(F)F)cc1 84616539 KZNLGDUIZXDGQF-XNTDXEJSSA-N 364.754 5.153 0 1 FKAF c1ccc(-c2ccc(CNCCn3ccnc3-c3ccccc3)cc2)cc1 84742562 JIIONOHGXUBIKD-UHFFFAOYSA-N 353.469 5.007 0 1 FKAF c1ccc2c(NC3=NS[C@H](Nc4cccc5ccccc45)N3)cccc2c1 103198113 FBEMKOHMCWBVQQ-JOCHJYFZSA-N 370.481 5.408 0 1 FKAF Nc1cc2c3c(c1)c(C(F)(F)F)c(CCCc1ccccc1)n3CCC2 103256064 NYYFMHVIESESQY-UHFFFAOYSA-N 358.407 5.364 0 1 FKAF FC(F)(F)c1c(CCCc2ccccc2)n2c3c(cccc13)CCCC2 205796056 IBLZPQQHAMGAQT-UHFFFAOYSA-N 357.419 6.172 0 1 FKAF COc1cc2cc(OC)c1OCCCCCCOc1ccc(cc1)C=C2 253667051 STSSIWRFUUGZRO-UHFFFAOYSA-N 354.446 5.206 0 1 FKAF COc1ccc(Nc2nc(C3C4CC5CC(C4)CC3C5)cs2)cc1OC 299840087 UJALXDQUKUQEMV-UHFFFAOYSA-N 370.518 5.444 0 1 FKAF CCc1oc2ccccc2c1-c1nc2cc(C)c(Br)cc2[nH]1 586904131 RIZTYEVJBQKCIH-UHFFFAOYSA-N 355.235 5.609 0 1 FKAF Fc1cccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587071493 NIZPRFYOOYKRSC-UHFFFAOYSA-N 358.203 5.738 0 1 FKAF C[C@@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccccc1C(F)(F)F 587098891 YSAOTEDMQDGLGQ-SSDOTTSWSA-N 360.166 5.435 0 1 FKAF Cc1cc(Br)cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587151813 IVUPEJALLPCESL-RYUDHWBXSA-N 363.205 5.183 0 1 FKAF Cc1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587153152 WPBDPFHZYUVVLF-MNOVXSKESA-N 363.205 5.183 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(F)(F)F)cc1)(C(C)C)O2 587382011 MKUDUFKNUMRASK-IBGZPJMESA-N 363.379 5.113 0 1 FKAF Cc1ccc(Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587403203 KVECIACMISEADB-QFIPXVFZSA-N 359.425 5.384 0 1 FKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(C)cc1C)[C@@H](C2)C3=O 587445540 KYJYZHSAAWMQRJ-OFVILXPXSA-N 370.448 5.003 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)N(C)Cc1cccc(Cl)c1 587628878 SVOSAXYPUCTGBG-UHFFFAOYSA-N 365.235 5.194 0 1 FKAF Fc1cc2c(-c3ccccn3)c(-c3ccc(Cl)cc3)[nH]c2cc1Cl 587629110 USJQNLIYKWUQCN-UHFFFAOYSA-N 357.215 6.343 0 1 FKAF CCc1c(-c2cc(Br)ccc2F)[nH]c2ccc([C@H](C)CC)cc12 587641929 KTIADCWPJYEJMH-GFCCVEGCSA-N 374.297 6.812 0 1 FKAF CCCC[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587705511 MXDMVENJHFAHDG-XPTSAGLGSA-N 368.212 5.070 0 1 FKAF C[C@H]1[C@@H](c2ccccc2)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587818205 CRJWQJRLEGAJJE-AFTNEDFKSA-N 374.297 5.141 0 1 FKAF CCCCC(CCCC)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820752 QRORWSAJBLCVSP-YJYMSZOUSA-N 370.350 6.160 0 1 FKAF CCC[C@]1(C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587821825 YFGISXMZQQZJKM-BFUOFWGJSA-N 368.334 5.698 0 1 FKAF CC1=C[C@]2(CC(C)(C)C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587822697 MCKSQFLUGJBQSZ-KZULUSFZSA-N 352.291 5.084 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(OC(C)C)cc4[nH]3)c2)c1 587932760 QFOGFXCZNKNBNU-UHFFFAOYSA-N 374.440 5.398 0 1 FKAF Cc1cc(C)c(C)c([C@@]2(C)c3cccc(Br)c3CCN2C)c1C 963270187 NZLAZVRRLNMYPH-OAQYLSRUSA-N 372.350 5.434 0 1 FKAF CC(=O)Nc1ccc(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@H]32)c1 1857583290 RNXMKZXPKPSYTO-RAKGIWIYSA-N 355.522 5.692 0 1 FKAF Oc1ccc2c(c1)-c1nc(-c3ccc(F)cc3)cc(-c3ccccc3O)c1C2 1857593766 OCBZOMVNCVBNJJ-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(O)c3)c3oc4cc(O)ccc4c3n2)c1 1857754690 JJNILXIQUVXABH-UHFFFAOYSA-N 369.376 5.432 0 1 FKAF COC(=O)c1cc(O)c2c(c1)C[C@]1(O2)[C@H](C)CC[C@H]2C(C)(C)CCC[C@@]21C 2356714624 DEEMHJXPOBTJEP-DVZBENKUSA-N 372.505 5.115 0 1 FKAF Cc1ccc2nc(-c3ccccc3)c(Cc3ccccc3C(F)(F)F)n2c1 72134935 YMTKQRAEONGUKP-UHFFFAOYSA-N 366.386 5.919 0 3 FKAF Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(Cl)ccc12 5891700 IBKVKGUXDNYYIR-UHFFFAOYSA-N 355.869 5.067 0 1 FKAF CCCC(N)(CCC)Cc1ccc(OC)c(OCCc2ccccc2)c1 13801159 HTEUDXCVYWZMGC-UHFFFAOYSA-N 355.522 5.157 0 1 FKAF CC(C)(C)c1ccc(-c2cccc(-c3cc(C(N)=O)cc(C(=O)O)c3)c2)cc1 14960619 OBMYSEDXBIHVBU-UHFFFAOYSA-N 373.452 5.115 0 1 FKAF Cc1c(SCc2ccc(OC[C@H](C)F)cc2)oc2ccccc2c1=O 28710964 RDMPGGALJYJIED-ZDUSSCGKSA-N 358.434 5.131 0 1 FKAF CSc1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl 28897885 YCZOFTMERJSWMI-UHFFFAOYSA-N 350.274 5.022 0 1 FKAF CCCN(CCC)c1cnc(-c2c(C)cc(C)cc2OC)c2ccccc12 29037814 UGUKLRPQTRXJEY-UHFFFAOYSA-N 362.517 6.154 0 1 FKAF COc1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1 35996535 XARNNPFETIANRB-UHFFFAOYSA-N 370.456 5.369 0 1 FKAF O=C(CCNc1ccccc1O)N1c2ccccc2C=Cc2ccccc21 45261187 QAOCHDWXKASYLA-UHFFFAOYSA-N 356.425 5.043 0 1 FKAF Fc1ccc(-c2nc(CNc3ccc(Oc4ccccc4)cc3)co2)cc1 72180957 DHDUXFWRTLBSFD-UHFFFAOYSA-N 360.388 5.885 0 1 FKAF CCCCCn1c(CC(C)C)nc2c(NCc3ccc(C)cc3)ncnc21 82179293 SVJDRXSCAYEJLV-UHFFFAOYSA-N 365.525 5.136 0 1 FKAF Fc1ccc([C@]2(CCNCc3ccccc3)CCOC3(CCCC3)C2)cc1 96940335 NBXSEADGQTYSNU-HSZRJFAPSA-N 367.508 5.367 0 1 FKAF CCCSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1 100703877 HDULIFHJGRFLFN-UHFFFAOYSA-N 369.877 5.386 0 1 FKAF CC(C)CC[C@@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197785 JLUIDEVPLCSUIV-LLVKDONJSA-N 373.444 5.292 0 1 FKAF COc1ccc(CCNC(=O)N2c3ccccc3C=Cc3ccccc32)cc1 103231525 ZFQCEMBADSQEEZ-UHFFFAOYSA-N 370.452 5.269 0 1 FKAF CC1(C)[C@H]2CC[C@@]1(C)[C@H](c1cccc([C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)c1O)C2 103949896 MIZVZCOZDYEJKF-PEJFSELFSA-N 366.589 7.252 0 1 FKAF C[C@]12C[P@](=O)(c3ccccc3)C[C@H]1c1ccccc1[C@H]2c1ccccc1 105511920 USAJZDLDKCTBFR-UHCVVMIDSA-N 358.421 5.624 0 1 FKAF Cc1cc(C(=O)O)c2[nH]c(-c3ccc(-c4c(F)cccc4F)cc3)nc2c1 113981848 AZBJTZOTCYNSGJ-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF CC(C)=CCC/C(C)=C\Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1O 195773998 ZAIQNYMNZNXUAF-VBKFSLOCSA-N 366.457 5.270 0 1 FKAF CCCCCc1c(C/C=C(/C)CCC=C(C)C)c(O)cc(O)c1OC(C)=O 214201665 DZLSXQDQGMAPKJ-LGMDPLHJSA-N 374.521 5.991 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21C 255208650 DZKYBYMQFBHTTM-DBIPPDEOSA-N 372.637 6.999 0 1 FKAF Cc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1C 586975242 KOGFLMXNRWZCPP-UHFFFAOYSA-N 370.077 5.916 0 1 FKAF CC(C)Oc1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587050479 OXJVGXFLTYPFTI-STQMWFEESA-N 361.272 5.928 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C=C[C@H](C(F)(F)F)C3 587103894 OEPMZCZSDDVQMV-NSHDSACASA-N 351.327 5.194 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc(-c4ccccc4)no3)nc3cccc1c23 587106093 LNFUMUOISXKOPW-UHFFFAOYSA-N 374.399 5.768 0 1 FKAF COc1cccc(-c2cc(-c3ccc(C)o3)nc3c2oc2ccccc23)c1 587365462 HLGMKTDBDIVJKV-UHFFFAOYSA-N 355.393 6.225 0 1 FKAF CCC[C@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587367481 SFFMFRNGXLYVIW-INIZCTEOSA-N 371.480 6.562 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cc(Cl)cc1Cl)O2 587375300 KWBBMYDNDUEVCK-CQSZACIVSA-N 356.636 5.244 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3cccc(Cl)c3)n1)O2 587411066 ATXBZGJQBRFQJH-KRWDZBQOSA-N 370.861 5.061 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(C)cc1)CC2=O 587472119 YMLIBNQQQLCTFL-QFIPXVFZSA-N 361.441 5.150 0 1 FKAF O=C1C[C@@]2(CCSc3c(F)ccc(F)c32)Oc2c1ccc1c2CCCC1 587510001 UCKLRKARFFKFRX-OAQYLSRUSA-N 372.436 5.200 0 1 FKAF CCCOc1c(OC)cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521591 INZFARANEZEYOB-NRFANRHFSA-N 366.457 5.069 0 1 FKAF CC[C@]1([C@H](C)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599376 FRSBZHKHYIBZHY-FBJLLXQBSA-N 374.436 5.306 0 1 FKAF COc1cccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)(F)F)c1 587624883 VSKAEFHQSHRNIY-UHFFFAOYSA-N 367.754 5.550 0 1 FKAF Fc1cccc2[nH]c(-c3ccc(Br)cc3)c(C(F)(F)F)c12 587633880 MOONUECKGRQYQI-UHFFFAOYSA-N 358.132 5.755 0 1 FKAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Cl 587698625 ZFVWYEWJCRIWMF-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3cnco3)n2)cc1 587922268 AJCWFAHWNWTUAL-UHFFFAOYSA-N 361.401 5.753 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 587959796 QEEKQDOOMOBEKL-UHFFFAOYSA-N 368.814 6.061 0 1 FKAF Cc1cccc(C)c1[C@]1(CCc2ccccc2)NCCc2ccc(F)c(C)c21 962146444 OAKYQZFLNDUYEE-SANMLTNESA-N 373.515 5.773 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]21c2ccccc2COc2ccccc21 963110407 MWBLNBYATSWYHF-CJFMBICVSA-N 371.455 5.031 0 1 FKAF Cc1c([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)[nH]c2c(Cl)cccc12 963113573 URHFVAFWMGOHAZ-QKKBWIMNSA-N 354.856 5.379 0 1 FKAF Cc1cc2[nH]c([C@H](O)CC(C)(C)C)c(-c3ccccc3)c2cc1C(=O)O 1772584213 YYLLXGRWARESIP-GOSISDBHSA-N 351.446 5.311 0 1 FKAF O=c1c2ccc(Cl)cc2nc(-c2ccccc2)n1-c1cccc(Cl)c1 1772652467 RLIJEECLCXPZKI-UHFFFAOYSA-N 367.235 5.360 0 1 FKAF Fc1ccc(CNCC2(c3ccnc(-c4ccc(Cl)cc4)c3)CC2)cc1 1857598407 ZNBQISQVMUYDSU-UHFFFAOYSA-N 366.867 5.363 0 1 FKAF COc1ccc(-c2nc3c(cc(Nc4ccccc4)c4ccccc43)o2)cc1 1857630863 RKALHFZHFQPWGL-UHFFFAOYSA-N 366.420 6.400 0 1 FKAF COc1cc(-c2nc3c4c(c5ccccc5c3[nH]2)OC(C)(C)CC4)ccc1O 1857655405 NLIQQGMSNJBFNG-UHFFFAOYSA-N 374.440 5.201 0 1 FKAF CC1=C[C@H](CNCC(C)C)[C@@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356286908 SEVWXXBPRGOORX-NJDAHSKKSA-N 367.581 5.514 0 1 FKAF CC1=CC[C@H](O)[C@]2(C)[C@H](OC(=O)C=Cc3ccccc3)C[C@@H](C(C)C)C[C@H]12 2356443212 DNSYTDAEXWUCHW-BTPPTMBQSA-N 368.517 5.011 0 1 FKAF CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(CO)CCC=C(C)CCC=C(C)CC1 2356747678 PHHSGMBMOUQBFV-DQEYMECFSA-N 374.609 6.656 0 1 FKAF COCc1ccc(CN2CCc3c([nH]c4ccccc34)[C@H]2C(C)(C)C)o1 11818735 SGVCRRJGTCFHLJ-NRFANRHFSA-N 352.478 5.053 0 3 FKAF COc1cc(OC)c2c(c1CC=C(C)C)O[C@@H](c1ccccc1)C[C@@H]2OC 14684695 QYAYIWOQUZDATC-QUCCMNQESA-N 368.473 5.424 0 1 FKAF biogenic O=C(O)CCCCCCCCCCCCCCCCCCCCCCO 36417257 HVWZNSXGOXRKIK-UHFFFAOYSA-N 370.618 7.255 0 1 FKAF biogenic CCCCCc1nc(-c2cnc(N[C@H](C)CC)nc2-c2ccco2)oc1C 82166110 ZMOFXYYKOFCYEQ-CQSZACIVSA-N 368.481 5.643 0 1 FKAF O=C(CC1CCCCC1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 103235259 ZIBYLGUEKDZYBR-UHFFFAOYSA-N 369.317 6.026 0 1 FKAF CC[C@]1(C)C[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586889834 NEJXCKVAYKIVHE-ISVAXAHUSA-N 363.177 5.128 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 586899132 UPRPIWMFEOLVJM-UHFFFAOYSA-N 354.331 5.621 0 1 FKAF Cc1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 587015250 IOCMOVPCQNNFPV-UHFFFAOYSA-N 360.269 5.969 0 1 FKAF Cc1c(F)ccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587039774 FTOBRGPYIBFLAG-UHFFFAOYSA-N 360.479 5.068 0 1 FKAF Clc1cccc(/C=C/c2nc3cccc(Br)c3[nH]2)c1Cl 587055146 SPAGLINXZZPXJA-BQYQJAHWSA-N 368.061 5.803 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]3c1ccc(Cl)cc1 587104874 YCDYBNMMXLXBNC-SFHVURJKSA-N 367.835 5.788 0 1 FKAF Cc1[nH]c2ccccc2c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105516 CAYCNSFCGQYXEP-UHFFFAOYSA-N 360.416 5.903 0 1 FKAF Cc1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1Br 587150823 FLQQKLWNKPXAHC-GHMZBOCLSA-N 363.205 5.183 0 1 FKAF CCCCCc1nc2cccc3c2c(c1CCCC)-c1ccccc1C3=O 587208145 ZTASWJXQCAFHSL-UHFFFAOYSA-N 357.497 6.522 0 1 FKAF CCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[C@@H](C)CC 587400101 NFGTXIYYNVOIOQ-NYHFZMIOSA-N 367.489 5.586 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cncc(-c3ccccc3)c1)CC2=O 587489627 MVIBXWCQNMUIDP-QFIPXVFZSA-N 359.425 5.113 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C1CCCC1)CC2=O 587490116 RSKHCIKRJQLJNR-HSZRJFAPSA-N 350.458 5.396 0 1 FKAF O=C1C[C@H](c2c[nH]nc2C2CCCCC2)Oc2c1ccc1c2CCCC1 587524205 KSKUUEMCCQDCDD-HXUWFJFHSA-N 350.462 5.043 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccsc3)s2)Oc2c1ccc1c2CCCC1 587530797 HPVJBHCDZBVMJN-GOSISDBHSA-N 366.507 6.062 0 1 FKAF CC(C)(C)c1ccc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531934 IYCYRTJUIQTTPS-NRFANRHFSA-N 350.458 5.275 0 1 FKAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)cc1 587629559 BLEXSFRSFUGYNK-UHFFFAOYSA-N 371.717 5.381 0 1 FKAF C(=C/c1ccccc1)\COCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587781336 TZLBZBRAVZORJH-JXMROGBWSA-N 372.493 5.944 0 1 FKAF C[C@@H](c1ccccc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812623 JVYCRPRQJXWGNA-QHRIQVFBSA-N 362.286 5.141 0 1 FKAF CC(C)CC[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587815710 OZAXONWTFLEPAC-XIKOKIGWSA-N 354.307 5.164 0 1 FKAF Cc1ccc([C@H](C)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587820732 QMDXKIHOMIKAIW-QHRIQVFBSA-N 362.286 5.276 0 1 FKAF O=C(c1sc2ccccc2c1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587876844 UJGKITPOIFJFPP-UHFFFAOYSA-N 370.792 5.352 0 1 FKAF COc1cccc(CCCCCCCCNCc2ccccc2OC)c1 653748805 KRXOCFVRVLIPMS-UHFFFAOYSA-N 355.522 5.377 0 1 FKAF CC(C)N(Cc1ccccc1)CC(C)(C)[C@H](O)c1ccc2ccccc2c1 653854046 WMNCGEKCHKGKIL-XMMPIXPASA-N 361.529 5.810 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)c3oc4cc(O)ccc4c3n2)cc1 1857645348 PATWIWIOTYBYKG-UHFFFAOYSA-N 353.377 5.726 0 1 FKAF COCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC[C@H](C)CC(=O)OC 2356516103 LKUFKKPWSGIMCX-OSGXGRJZSA-N 350.543 5.391 0 1 FKAF CCCCCC=CCC=CCCCCCCCc1cccc(OC)c1OC 2356675242 MHTZAZDMXDAJLX-UHFFFAOYSA-N 372.593 7.670 0 1 FKAF COC(=O)C[C@H](C)CC[C@@H]1[C@](C)(OC)C=C[C@H]2C(C)(C)CCC[C@]21C 2356725481 GLCPAKRBJQFMMZ-LIRZLWQOSA-N 350.543 5.390 0 1 FKAF CCCC[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)Nc3ccccc3C)C2)[C@H]2CCCCN12 203468199 RCOCVPLEBTYLLF-OCFWJZSCSA-N 370.537 5.365 0 3 FKAF Clc1ccc(C(OC2C[C@@H]3CC[C@H](C2)N3)c2ccc(Cl)cc2)cc1 13861982 FQBNNMLRILIAJK-DFNIBXOVSA-N 362.300 5.382 0 1 FKAF Fc1ccc(-c2nc3ncccn3c2Nc2cccc(C(F)(F)F)c2)cc1 20182029 OOVUAGVIWZOMKL-UHFFFAOYSA-N 372.325 5.298 0 1 FKAF CCOc1ccc(-n2c(C)c3c(C)nnc(CCC(C)C)c3c2C)cc1 28757083 UVNSCFCGZQXAHH-UHFFFAOYSA-N 351.494 5.333 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H]1CC(=O)C[C@H](CC(=O)O)C1 40505864 VBWHTIYEOJJJIV-ZMDHKADUSA-N 358.522 6.032 0 1 FKAF CC[C@H](c1ccccc1)c1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1 45384370 HDVJQXALBFFODC-MRXNPFEDSA-N 371.889 5.633 0 1 FKAF CC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccccc1Cl 104005182 FWZPSDXVGTVQHP-OAQYLSRUSA-N 366.848 5.516 0 1 FKAF 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@]12C 253986728 FEGCPHIPSRBREU-JHFIDHCDSA-N 374.565 5.283 0 1 FKAF CC(C)c1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(O)c(C(C)C)c1 586895854 AHQBUMDPIGEQAK-UHFFFAOYSA-N 366.358 5.739 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(N(C)C)cc4)nc13)-c1ccccc1C2=O 586995005 CSFLPYKUCYGYQJ-UHFFFAOYSA-N 364.448 5.488 0 1 FKAF CCc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)cs2)cc1 587015987 MLIGLGFAEQMBKF-UHFFFAOYSA-N 374.391 5.330 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H]1C[C@H]4[C@@H]3CCC[C@H]13)-c1ccccc1C2=O 587101487 UINHEKXSAYLLKL-SPLQCWDRSA-N 351.449 5.755 0 1 FKAF Cc1ccc2c3c(c4c(nc13)CC[C@@H]4c1ccccc1)-c1ccccc1C2=O 587102140 YRDPZMJHXKBWPC-QGZVFWFLSA-N 361.444 5.833 0 1 FKAF Cc1ccc(/C=C/c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1F 587146467 MUPUUKYEHXRQFB-FMIVXFBMSA-N 356.400 5.412 0 1 FKAF C[C@]12Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)C=C1CCCC2=O 587207525 MJLUWKBLIXMSFV-VWLOTQADSA-N 365.432 5.145 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(F)cc3F)cc1)O2 587386209 ULSUUQFIFAKGAB-NRFANRHFSA-N 365.379 5.229 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(Oc3ccccc3)c1)O2 587403672 PMQQOYDOCIXZPP-QHCPKHFHSA-N 359.425 5.250 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](c1ccccc1)c1cc(C)ccc1C)O2 587405479 LLECWNNKOIQQJS-DNQXCXABSA-N 371.480 5.360 0 1 FKAF COc1cc2c3c(c1)O[C@](CCc1ccc(Cl)cc1)(C(C)C)[C@@H](C2)C3=O 587419350 DQOUALONRHGQNE-PGRDOPGGSA-N 370.876 5.124 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC3CC3)c(C)c1)CC2=O 587480151 NPIMDWRHOMEXQM-JOCHJYFZSA-N 366.457 5.148 0 1 FKAF C[C@@]1(c2cccc(-c3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587522497 IGBYYCOGRPLAQO-SANMLTNESA-N 368.476 6.113 0 1 FKAF CC[C@]1(c2cc(C)ccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603965 SNQXZGHFCIXQBE-XUZZJYLKSA-N 374.436 5.276 0 1 FKAF CCc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)cc1 587628107 HSCLIKUWLJEEAG-UHFFFAOYSA-N 369.745 5.935 0 1 FKAF CCCc1c(-c2ccc(Cl)cc2Cl)[nH]c2ccc(F)c(Cl)c12 587628315 JVEBOUWQGNMBDW-UHFFFAOYSA-N 356.655 6.887 0 1 FKAF Cc1ccc([C@H](C)C[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587830303 SHSGYGMBALTRFH-HFAKWTLXSA-N 366.274 5.259 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(Br)c(O)c2[nH]1 587950816 NWUPXYYDXPMHIL-GYSYKLTISA-N 367.287 5.077 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2c(C)c(Br)cnc2[nH]1 587950986 FXPHEPYIFFZJBM-JKOKRWQUSA-N 366.303 5.075 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2c(C)c(Br)cnc2[nH]1 587950995 FXPHEPYIFFZJBM-OSMZGAPFSA-N 366.303 5.075 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(C3CCCCC3)cc2)N1 962962403 VIPUDLZFVDXYAL-RLWLMLJZSA-N 372.556 6.403 0 1 FKAF Cc1cc(O)c(O)c(=O)cc1-c1ccc(-c2ccc3ccccc3c2)cc1 1857587874 ILBIRAPXPVPOMM-UHFFFAOYSA-N 354.405 5.254 0 1 FKAF CC(C)=CCc1c(O)cc(C=Cc2ccccc2)c2c1OC(C)(C)[C@@H](O)C2 2356505891 UAXXMVQLCVNGIS-QFIPXVFZSA-N 364.485 5.146 0 1 FKAF CC(=O)OCC=C(C)CCC1=C(C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]12C 2356684741 VYHQRVHVJIOYAH-BVSLBCMMSA-N 362.510 5.284 0 1 FKAF COc1ccc(-c2sc3ccccc3c2-c2cc(OC)ccc2C=O)cc1 95570328 LVQOYHJVMKLNHQ-UHFFFAOYSA-N 374.461 6.065 0 3 FKAF CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c2c3c(cc(=O)oc13)[C@H](CC)O2 1650656 UIUQJKPWTIMLDM-WFASDCNBSA-N 370.445 5.080 0 1 FKAF biogenic,in-vitro Cc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F 1896203 JIYRSPUMGRIYBL-UHFFFAOYSA-N 370.349 5.616 0 1 FKAF in-vitro CC1(C)[C@H]2CC=C(CN3CCC(Nc4nc5ccccc5s4)CC3)[C@@H]1C2 6744008 KKXVLFHEHGYXMX-WMZOPIPTSA-N 367.562 5.165 0 1 FKAF CCN(CC)[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21 13560900 NIIGXDSCJHJWSY-BEFAXECRSA-N 350.289 5.618 0 1 FKAF in-vivo CC(C)c1ccc(O[C@](C)(Cc2ccc(-c3ccccc3)cc2)C(=O)O)cc1 13604828 QUOZYIVWPIEWIK-RUZDIDTESA-N 374.480 5.942 0 1 FKAF CC(=O)C1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 13861072 RYHBLWVQRUGERI-UHFFFAOYSA-N 351.877 5.415 0 1 FKAF CCN(CC)CCC[C@H](C)Nc1ccnc2ccc(C(F)(F)F)cc12 28132220 ZVXOVWGOGZJMNM-AWEZNQCLSA-N 353.432 5.176 0 1 FKAF CCC(C)(C)C(=O)Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 28373234 ZJEYTBWAXPXAJU-UHFFFAOYSA-N 373.522 5.190 0 1 FKAF c1ccc(-c2nnc(COc3ccc(-c4cc5ccccc5[nH]4)cc3)o2)cc1 82149317 OCRPUAWBJWFWTN-UHFFFAOYSA-N 367.408 5.464 0 1 FKAF C[C@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1 84726816 QZTFKMDNUMGOGL-LBPRGKRZSA-N 361.338 5.489 0 1 FKAF COc1ccc(C(=O)O[C@H]2/C=C(/C)CCC[C@@]3(C)CC[C@]2(C(C)C)O3)cc1 85692309 DBJFGKAHADMLDQ-DJKJGLDNSA-N 372.505 5.315 0 1 FKAF Cc1cc([C@@H]2[C@H]3CC[C@H](C[C@H]2c2ccc(Cl)c(Cl)c2)S3)on1 101388791 JHGFPQGHZNDWJN-CZAMWMTLSA-N 354.302 5.825 0 1 FKAF CC1=CSC2=NC3=C(CCC/C3=C\c3ccccc3)[C@@H](c3ccccc3)N12 102897086 XWGRXQHTTFBINK-QFXGEWDLSA-N 370.521 6.529 0 1 FKAF Nc1nc(=S)[nH]c2c1[C@@H](c1ccccc1)c1ccc3ccccc3c1O2 103289560 PTRHMMXJGVYASQ-INIZCTEOSA-N 357.438 5.160 0 1 FKAF C=Cc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 199433447 BBKYAPLWNWFTDX-UHFFFAOYSA-N 365.480 5.649 0 1 FKAF Cc1onc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)/C=C/c1ccccc1Cl 224270925 IYHWWOPGPVJLGP-DHZHZOJOSA-N 368.776 5.108 0 1 FKAF Fc1ccccc1-c1nc2ccc(Nc3ccnc4ccccc34)cc2[nH]1 299832090 RKWPNOCPPOAASF-UHFFFAOYSA-N 354.388 5.661 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)nc3c2COc2ccccc2-3)c1 473111797 BECWFWHPTBQNJE-UHFFFAOYSA-N 351.405 5.681 0 1 FKAF CC/C(=C(\c1ccccc1)c1ccc(/C=C/C(=O)O)cc1)c1ccc(O)cc1 473136225 ZOHYRKHVFIHGOF-VZBZSUMNSA-N 370.448 5.859 0 1 FKAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)cc1 586881150 TUNKXKYQIXVHAY-UHFFFAOYSA-N 364.807 5.892 0 1 FKAF Cc1ncc(-c2nc3cc4ccccc4cc3[nH]2)c(C)c1Br 586979542 PBYQPGWVCOHQJJ-UHFFFAOYSA-N 352.235 5.157 0 1 FKAF Cc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1Cl 587018212 YOFQYLBKTJMHPS-UHFFFAOYSA-N 367.861 5.250 0 1 FKAF Fc1cc(Br)cc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587028678 ZZZKAIGJQHDLES-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 587073446 GKBSFIQKLADSDS-UHFFFAOYSA-N 374.831 5.441 0 1 FKAF CCOC(=O)c1nc2c(C)ccc3c2c(c1C(C)C)-c1ccccc1C3=O 587096561 LOPGTCRWLDPBSL-UHFFFAOYSA-N 359.425 5.055 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(Cl)c3)cc1)O2 587376433 CLOJVQSWTRYZPH-NRFANRHFSA-N 363.844 5.604 0 1 FKAF CCCC[C@@H](OC)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399238 HMZASKMCSGFNSS-FYYLOGMGSA-N 367.489 5.336 0 1 FKAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(c1ccccc1)CC2=O 587479231 CLLPPFNAAQVZEC-VWLOTQADSA-N 372.464 5.448 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(C(C)C)cc1)CC2=O 587489276 OHXOWSYVAXPQSU-HSZRJFAPSA-N 352.474 5.435 0 1 FKAF C[C@@]1(c2cc(Cl)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587507602 RKPZGCCMTOIKLS-FQEVSTJZSA-N 361.268 5.753 0 1 FKAF COc1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513779 ULLOJBYGUHLFGH-QHCPKHFHSA-N 373.452 5.071 0 1 FKAF CCC(C)(C)c1ccc(OCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 587563858 BEKFLYFKSOZVIN-UHFFFAOYSA-N 363.288 6.136 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(C2CCC2)c1 587600234 AEXUVPLZJPETQO-XUZZJYLKSA-N 372.420 5.363 0 1 FKAF CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccn1 587623849 SCWNUTDNUKSLAB-UHFFFAOYSA-N 369.266 5.166 0 1 FKAF CCOC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc([C@@H](C)CC)cc12 587641533 KCFOUGAQGQZUJB-ZDUSSCGKSA-N 367.420 5.233 0 1 FKAF C=Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587815789 QFIZMNHLOZXIRT-CWTRNNRKSA-N 360.270 5.029 0 1 FKAF CSc1ccc(-c2csc(CCn3nc(C)c(Cl)c3C)n2)cc1 587924525 BJXOYCUQEHYLII-UHFFFAOYSA-N 363.939 5.241 0 1 FKAF c1ccc([C@@]2(CC3CCC3)c3ccsc3CCN2Cc2ccco2)cc1 962712613 VGZLDTKIMKKCOT-QHCPKHFHSA-N 363.526 5.833 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cncc2nc(C(C)(C)C)oc12 963235607 XBNUKIIMLXYKLT-MGPUTAFESA-N 363.505 5.266 0 1 FKAF FC(F)(F)c1ccc(C[n+]2ccc3ccnc4c3c2-c2ccccc2-4)cc1 1772617798 LSBYIJLUGAHPDW-UHFFFAOYSA-N 363.362 5.237 0 1 FKAF CCOC(=O)c1nc(C2CCCCC2)sc1-c1cccc2cnccc12 1857560874 RNEOJUURVSBHGR-UHFFFAOYSA-N 366.486 5.583 0 1 FKAF Brc1ccc(-c2cccc(C3C4CC5CC(C4)CC3C5)c2)cc1 2356283041 AQWGEYVZVVPKLS-UHFFFAOYSA-N 367.330 6.656 0 1 FKAF CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)N[C@H](C)C(=O)O 2356781901 JSNAKIATBRGNKG-LJQANCHMSA-N 371.521 5.107 0 1 FKAF CC(C)c1cccc(C(C)C)c1NC(=O)NCCCCCc1ccccc1 2382229282 QUEHZMWWDMPZQJ-UHFFFAOYSA-N 366.549 6.468 0 1 FKAF O=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1cccc(Cl)c1 664955 YSHJTCFCQHGIAC-UHFFFAOYSA-N 359.816 5.203 0 1 FKAF CCC(CC)CCCCCCCCCOC(=O)CCCCCNC(=O)O 29041676 BPCIOLUOCCSSLJ-UHFFFAOYSA-N 371.562 5.915 0 1 FKAF O=C1C[C@@H](c2ccccc2)c2c(ccc3cc(-c4cccc(O)c4)ccc23)O1 29135480 RIEYLHIEPSCOIB-QFIPXVFZSA-N 366.416 5.653 0 1 FKAF CCCC1=Nc2c(Sc3ccccc3)ncnc2Sc2ccccc21 38267322 DUICRFHIPZWJCS-UHFFFAOYSA-N 363.511 6.013 0 1 FKAF CC[C@H](c1ccc(O)c(C(C)=O)c1)[C@@H](CC)c1ccc(O)c(C(C)=O)c1 40641102 MVIKFXGQAYNGMW-HDICACEKSA-N 354.446 5.190 0 1 FKAF Cc1cnc(NC(=O)[C@]2(C)CC3c4ccccc4C2c2ccccc23)s1 40914877 VDMYZVVOWGYDCM-OBFZPWGMSA-N 360.482 5.077 0 1 FKAF CCC[C@H](C(=O)OCC)c1cc(O)cc(-c2ccc(C(F)(F)F)cc2)c1 64624680 DGINQAZHBVGROK-SFHVURJKSA-N 366.379 5.525 0 1 FKAF in-vitro CCOC(=O)C1=C(c2ccccc2)N=C(CC)/C(=C(/O)SCC)[C@H]1CC 100037863 AKZADXZKEFHHGK-OVFHLDOESA-N 373.518 5.374 0 1 FKAF c1ccc(C2(c3ccccc3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 100722022 OYQBCSBMSFBKPF-CLJLJLNGSA-N 360.480 5.399 0 1 FKAF Clc1ccc(COC2(c3ccccc3)C[C@@H]3CC[C@@H](C2)N3)cc1Cl 101300594 RVSLPYXAWKWRCQ-IRXDYDNUSA-N 362.300 5.320 0 1 FKAF CCCn1c(C)c(C(=O)c2cc3ccsc3n2CCC)c2ccccc21 169311175 IDKKZAPVXOZNJA-UHFFFAOYSA-N 364.514 6.017 0 1 FKAF C[Si](C)(C)C1=C(Cl)C[C@H](C2CCCCC2)O[C@@H]1C1CCCCC1 195260114 CRDJZIJIEQTWCM-RTBURBONSA-N 355.038 6.675 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586963856 RAFFRXGRKNGVFJ-JTQLQIEISA-N 370.827 6.230 0 1 FKAF Cc1cc(Cc2nc3ccc(OC(C)C)cc3[nH]2)ccc1Br 586976469 LNQOQMJQFOMMFA-UHFFFAOYSA-N 359.267 5.012 0 1 FKAF Cc1ccc(-c2nc(-c3nc4c(F)cnc(Cl)c4[nH]3)c(C)s2)cc1 587013666 WMKQVLJLIMLZSC-UHFFFAOYSA-N 358.829 5.158 0 1 FKAF Cc1cc2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc2c(C)n1 587049238 JTKSISKBUDJHTM-UHFFFAOYSA-N 361.832 5.375 0 1 FKAF FC(F)(F)c1ccc2ncc(-c3nc4cnc5ccccc5c4[nH]3)cc2c1 587113648 WJEZNKWLTUFYGD-UHFFFAOYSA-N 364.330 5.345 0 1 FKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3ccnc(Cl)c3[nH]2)cc1F 587152365 ZLQOHYGBSMBSFP-QGZVFWFLSA-N 371.774 5.058 0 1 FKAF Cc1nccc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587159052 LQEWGXSKCNTKNS-LJQANCHMSA-N 367.811 5.227 0 1 FKAF O=C1C[C@@H](c2cc(C(F)(F)F)ccc2F)Oc2c1ccc1c2CCCC1 587505711 IGMDQFQYYYUOLQ-SFHVURJKSA-N 364.338 5.430 0 1 FKAF C[C@]1([C@H]2C[C@@H]2c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587507720 RVYNRUCPRYHKEJ-SELNLUPBSA-N 366.888 5.746 0 1 FKAF COc1ccc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587509639 VSHXFQDVGZFZCS-JOCHJYFZSA-N 370.876 5.194 0 1 FKAF O=C1C[C@H](c2cccc(-c3ccncc3)c2)Oc2c1ccc1c2CCCC1 587513218 BKAVPMBGANNFGA-HSZRJFAPSA-N 355.437 5.334 0 1 FKAF CSc1nccc(-c2c(-c3ccc(F)cc3)[nH]c3cccc(F)c23)n1 587634192 DOMVLGCRSBATHO-UHFFFAOYSA-N 353.397 5.292 0 1 FKAF CC1=CC[C@H]([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587815506 NDXUBWPDFWRMLF-IAISJRAMSA-N 352.291 5.084 0 1 FKAF C=Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587816293 WAOXUHADPZUWMN-CWTRNNRKSA-N 360.270 5.029 0 1 FKAF C/C(=C/c1ccccc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587816368 XDWMCUXTHPSJKC-ZCBFNNBSSA-N 374.297 5.441 0 1 FKAF CCC[C@@]1(C2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587819717 MSBKXQPHJNKYKM-YJYMSZOUSA-N 368.334 5.698 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=CC[C@H]3C[C@@H]2C3(C)C)N1 587822412 KFVUDEQJSOGXCR-GHPXYFHISA-N 364.302 5.156 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC2(C)C)N1 587822779 MHHMPVCCALUMRH-ADLMAVQZSA-N 354.307 5.164 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncccc1Cl 587864424 GNQFCFGGZGNRRC-UHFFFAOYSA-N 367.758 5.005 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3c(F)c(F)c(F)cc3[nH]2)cc1 587932470 OWJSYLCNUYVSGI-UHFFFAOYSA-N 354.331 5.323 0 1 FKAF C/C(=C/c1nc2cc(Br)c(F)c(F)c2[nH]1)C1CCCCC1 587968829 UUNLRGAIRPLOQM-CLFYSBASSA-N 355.226 5.587 0 1 FKAF C[C@]12CC[C@@H]3c4ccc(O)cc4[C@H](Cc4ccccc4)C[C@H]3[C@@H]1CC[C@@H]2O 653692126 MTXILKCYKGXIAV-NXYDILSSSA-N 362.513 5.393 0 1 FKAF O=Cc1cc2sc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cc2s1 963101092 JESDEYCSISLWOK-ORAYPTAESA-N 357.475 5.024 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCCCC(=O)OCC)C1CCC1 963231357 QMSPEBXRXCCACS-YADARESESA-N 371.565 5.462 0 1 FKAF CC(=CCC[C@H](CO)CCCc1ccoc1)CC[C@H]1C(C)=CCCC1(C)C 2356607416 UJVZMYQCMKGVLL-UPVQGACJSA-N 372.593 7.100 0 1 FKAF CCCCC[C@@H](C)CCC[C@H](C)CCCC(C)=CCOP(=O)(O)O 2356817500 DLVQMADNSNPDGL-MSOLQXFVSA-N 362.491 6.235 0 1 FKAF c1csc(CNc2nc(NCC3CCCCC3)c3sccc3n2)c1 61907322 FAXHKHMXRZZVDW-UHFFFAOYSA-N 358.536 5.357 0 3 FKAF Clc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1c[nH]c3ccc(Cl)cc13)N2 6567460 MSBZEIJDAKWUEE-NXXSPTCGSA-N 359.256 5.719 0 1 FKAF CCC[C@H](C)n1c(CC)nc2c(-c3cc(C)c(OC)cc3C)ccnc21 13479613 HOZZYHKZUPKELP-INIZCTEOSA-N 351.494 5.647 0 1 FKAF CNCC[C@H](Oc1cccc2ccccc12)c1ccccc1C(F)(F)F 13588065 OIHBSJFKSKENBL-FQEVSTJZSA-N 359.391 5.588 0 1 FKAF O=C(O)Cc1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)cs1 28524942 GVXGIHUCGUZTKI-UHFFFAOYSA-N 354.214 5.004 0 1 FKAF CCN(CC)CCCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 45337837 CIUJZOFJRGHVDD-UHFFFAOYSA-N 364.455 5.194 0 1 FKAF O=C(O)CCc1ccc(OCc2cccc(-c3ccccc3F)c2)cc1 66104875 FLWKDWHQFBNVKT-UHFFFAOYSA-N 350.389 5.089 0 1 FKAF O=C(NCCC1CCCCC1)N1C2=C(CCCC2)S[C@H]2CCCC[C@@H]21 72142428 FRFCVZLQVMCKFN-HKUYNNGSSA-N 362.583 5.812 0 1 FKAF CCCCCc1nc(-c2cnc(N(C)CC)nc2-c2ccccc2)oc1C 82163391 DAWSFBNZYUCJHZ-UHFFFAOYSA-N 364.493 5.296 0 1 FKAF Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3ccccc3F)n2)cc1 82176056 XGOQGDALBIEYFS-UHFFFAOYSA-N 374.419 5.167 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(Cl)c3)nc(-c3cccs3)c2)c1 95556308 YHHLSNIVDMCJGS-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF CC1=C(CCC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(C(C)C)cc1 95589726 HQEAFPZFDKSVSQ-MTJSOVHGSA-N 350.433 6.142 0 1 FKAF CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3c(C)cccc3s2)C1 103197599 IOYIOJQEQJDOKN-UHFFFAOYSA-N 362.498 5.156 0 1 FKAF C[C@@H]1CCC[C@@]2(O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 137554930 JWJBVPQUZFTTKO-IUXBHNFPSA-N 358.566 5.087 0 1 FKAF Cc1ccc(-c2nc3sc(C)nn3c2-c2nc3c(C)c(C)ccc3[nH]2)cc1 473121593 PXJPFKBAKHMWBH-UHFFFAOYSA-N 373.485 5.235 0 1 FKAF Cc1ccc2c3c(cc(-c4c(O)cc(F)cc4F)nc13)-c1ccccc1C2=O 586995401 JOYSKWSMCFAESN-UHFFFAOYSA-N 373.358 5.405 0 1 FKAF Cc1ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c1 587049656 KAVGPEKLKPFCCR-UHFFFAOYSA-N 368.867 7.012 0 1 FKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(ccc3ncccc32)[nH]1 587065892 CFGHZVQVNZIEIR-UHFFFAOYSA-N 358.832 5.531 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc[nH]c(=N)c2[nH]1 587070209 GOIPUQKQNOJQCA-UFNPXJETSA-N 373.287 5.043 0 1 FKAF COc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1F 587083090 FZBZFPRDJBDNQJ-UHFFFAOYSA-N 362.191 5.233 0 1 FKAF Nc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)oc2ccccc12 587105223 SYYDIJNAXCFMPR-UHFFFAOYSA-N 362.388 5.442 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4cc(Cl)ncc4[nH]3)ccc2F)cc1 587139261 FEYZQXYKQOOFDZ-UHFFFAOYSA-N 365.795 5.287 0 1 FKAF COc1cccc(-c2c(CC3CCCC3)c(C)nc3c2oc2ccccc23)c1 587364858 FEHPGOYQDVTOQR-UHFFFAOYSA-N 371.480 6.698 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccccc3)ccc1O)CC2=O 587487707 HTUMVENFSRDERT-QHCPKHFHSA-N 374.436 5.424 0 1 FKAF CC[C@]1(c2c(F)cc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509003 VNLZKYJCJILAOG-OAQYLSRUSA-N 360.375 5.253 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H](C1CCCC1)C2 587605019 WSXKYVZULXEMHE-NIJIEXERSA-N 364.441 5.083 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(Br)cc1 587624023 WFZWMWRQGVCOMM-UHFFFAOYSA-N 362.654 5.432 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3O)c(C)c2c1 587638944 KJPPADSGKWQVSU-LLVKDONJSA-N 358.279 6.125 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cccc(C)c3)c(C(=O)C(F)(F)F)c2c1 587643176 ZKPRBFMYQCEIAB-ZDUSSCGKSA-N 359.391 6.402 0 1 FKAF Cc1ccc([C@@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587814798 IZCVBHLZYIHFIM-XCLFUZPHSA-N 374.297 5.084 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)CC2)N1 587817105 IJFDEBAFTWHVCD-RBZFPXEDSA-N 372.281 5.195 0 1 FKAF CCC[C@@]1(C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587819715 MSBKXQPHJNKYKM-DJJJIMSYSA-N 368.334 5.698 0 1 FKAF Cc1cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587821431 VABLFJMMAXAETD-DJJJIMSYSA-N 362.286 5.137 0 1 FKAF C/C=C(/c1ccccc1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587821757 XNAPQPYFVBHXIL-RFQRCICFSA-N 360.270 5.267 0 1 FKAF COc1ccc2cc([C@@H](C)c3nc4ccc(C(C)(C)C)cc4[nH]3)ccc2c1 587936112 ZCPDWMREKUDNJE-OAHLLOKOSA-N 358.485 6.174 0 1 FKAF COc1cccc(Oc2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1 653765611 REOKOKPYRGUFOH-HXUWFJFHSA-N 361.445 5.075 0 1 FKAF Cc1ccccc1[C@]1(CC(C)(C)C)NCCc2cccc(-c3ccccc3)c21 962669251 OZWMAZQGKSNMLM-MHZLTWQESA-N 369.552 6.488 0 1 FKAF Clc1ccc2c(c1)[C@]1(CC2)c2ccsc2CCN1Cc1cccnc1 962998854 WOKIWTSZMINHNL-NRFANRHFSA-N 366.917 5.045 0 1 FKAF CCCCc1ccc([C@]2(c3ccccc3)NCCc3ccc(O)cc32)cc1 963342801 TWHKODAEWPXZBE-VWLOTQADSA-N 357.497 5.172 0 1 FKAF COc1cccc(Nc2ccnc3cc(OCc4ccc(F)cc4)ccc23)c1 1857557821 OOTKPPCIQUXKSP-UHFFFAOYSA-N 374.415 5.705 0 1 FKAF CC1(C)CCC[C@]2(C)Oc3cc(C=Cc4ccc(O)cc4)cc(O)c3C[C@@H]12 2356672551 NVDNWXIJCXLGEI-UPVQGACJSA-N 364.485 5.788 0 1 FKAF O=C(CN1[CH]C=CC(Cc2ccccc2)=C1)c1ccc(-c2ccccc2)cc1 2356815219 HDCREDVRAJKWJG-UHFFFAOYSA-N 364.468 5.696 0 1 FKAF C[C@](O)(c1ccc(F)c(F)c1)c1nc(-c2ccc(F)c(Cl)c2)cs1 61907503 RPQXRBKEZHXDNG-KRWDZBQOSA-N 369.795 5.137 0 3 FKAF O=C(Nc1ccc(OC(F)(F)F)cc1)Sc1ccc(Cl)s1 2153537 XZUNWBWRXLAIFG-UHFFFAOYSA-N 353.774 5.624 0 1 FKAF C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)N(c1ccccc1)c1ccccc1 13733911 RYWMWDPBFDGSHL-WOJBJXKFSA-N 365.521 5.187 0 1 FKAF COc1ccc([C@H]2C[C@H](c3ccccc3)Oc3c(C)ccc(C(C)C)c32)cc1 13829850 SKNHBIKYZAIJSJ-DNQXCXABSA-N 372.508 6.783 0 1 FKAF COc1cc(CCCCCCCCCCc2ccccc2)cc(OC)c1 14651562 MXOHQDLQNFKWQJ-UHFFFAOYSA-N 354.534 6.610 0 1 FKAF biogenic CC(C)CCCCCCCCCCCC/C=C1/C[C@](C)(CO)OC1=O 14768330 MMCFPAFBIBXHTL-JXAXNMIRSA-N 352.559 5.948 0 1 FKAF C1CC[C@@H]2C[C@H](N3CCCN([C@@H]4CC[C@@H]5CCCC[C@@H]5C4)CC3)CC[C@@H]2C1 22782472 UGLVJORGECAOIY-NCIBGLJCSA-N 372.641 5.712 0 1 FKAF CC(=O)CC[C@H](O)[C@@](C)(O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 28466575 ZRUJYEUVZNHJMG-HDAABJHUSA-N 360.538 5.053 0 1 FKAF O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(Cl)ccc12 34322667 KTWVNLHVTKIKRE-UHFFFAOYSA-N 354.881 5.433 0 1 FKAF CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1OC(CC)CC 34337608 XFFQPEYVHSNGRB-UHFFFAOYSA-N 367.320 6.143 0 1 FKAF O=C1c2ccccc2/C(=C/c2cc(Cl)cc(Cl)c2)c2sccc21 35080112 ZBMBBAKKLVEAOX-MFOYZWKCSA-N 357.261 6.188 0 1 FKAF c1csc(-c2ccc(Cc3ccc(OC[C@@H]4CCCCN4)cc3)cc2)c1 49125789 XIOLMZDMRZUZEA-NRFANRHFSA-N 363.526 5.527 0 1 FKAF Clc1ccc(CO[C@@H](CCn2ccnc2)c2ccco2)c(Cl)c1 71330123 DUJLSVOVMHKOBI-KRWDZBQOSA-N 351.233 5.131 0 1 FKAF CCC(CC)Nc1c(C)c(Nc2ccc(OC)cc2Cl)nc2ccnn12 72116822 CMCQLMAKXNFWSL-UHFFFAOYSA-N 373.888 5.044 0 1 FKAF Cc1cnc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccccc2C)o1 82177203 RFOQMKIADDVRPM-DNVCBOLYSA-N 362.477 5.406 0 1 FKAF O=C(O)CC1=C/C(=C\c2ccc3c(c2)Cc2ccccc2-3)c2ccc(F)cc21 84670100 BZZULLHQJWIHNF-VCHYOVAHSA-N 368.407 5.809 0 1 FKAF O=C(CCCCN1CCCCC1)Nc1ccc(-c2ccc(Cl)cc2)cc1 84740157 HSJHANWKJLOWGS-UHFFFAOYSA-N 370.924 5.602 0 1 FKAF CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1 95558199 OZTPEOANXGTTAL-FQEVSTJZSA-N 364.445 5.319 0 1 FKAF Cc1ccccc1CN1C(=O)C[C@H](c2ccccc2)Sc2ccccc21 95592615 HNRWJWGVOYJLGQ-JOCHJYFZSA-N 359.494 5.765 0 1 FKAF c1ccc2c(NC3=NS[C@@H](Nc4cccc5ccccc45)N3)cccc2c1 103198115 FBEMKOHMCWBVQQ-QFIPXVFZSA-N 370.481 5.408 0 1 FKAF Cc1ccc2c3c(ccc2n1)N=C1CCCC(O)=C1[C@@H]3c1sccc1C 103945588 MBROZVCWJCPBRU-OAQYLSRUSA-N 360.482 6.127 0 1 FKAF CC1(C)[C@H]2C[C@H]1CC[C@H]2CNc1cc(Oc2ccc3ccccc3c2)ncn1 104930397 IMBHTTDSYOSSNM-ZVDOUQERSA-N 373.500 5.906 0 1 FKAF NC1(c2ccc(-c3nc4ccc(Cl)cn4c3-c3ccccc3)cc2)CCC1 113654919 NSVGZPTZQRHMMS-UHFFFAOYSA-N 373.887 5.660 0 1 FKAF CCCCCCCC/C=C\CCCCCCCC(=O)NCCC(=O)O 149759791 XSZVJSCMQRJIRH-KTKRTIGZSA-N 353.547 5.615 0 1 FKAF CCOc1ccc([C@H]2c3c(ccc4ncccc34)N=C3CCCC(=O)[C@@H]32)cc1 169691233 XYTRLGRKPXOCIJ-LADGPHEKSA-N 370.452 5.221 0 1 FKAF COc1ccc2c(=O)c(OCC=C(C)C)c(-c3ccc(C)cc3)oc2c1 299825823 FYEAEYBMJRQMTR-UHFFFAOYSA-N 350.414 5.122 0 1 FKAF Cc1cc(Br)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 586883364 BKKUIYKASZUNON-AUUYWEPGSA-N 353.263 5.005 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1ccc(F)cc1C4)-c1ccccc1C2=O 586996900 VEIKTSCJFFBRNP-UHFFFAOYSA-N 351.380 5.465 0 1 FKAF Cc1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1Br 587027692 GDAPIBJNXBDUPO-UHFFFAOYSA-N 370.275 5.424 0 1 FKAF FC(F)(F)C(F)(F)c1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cn1 587043598 SKSJNRQWQMVYEB-GFCCVEGCSA-N 371.334 5.002 0 1 FKAF Clc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c(Cl)n1 587047942 CDGODNXREIRITE-NKWVEPMBSA-N 373.070 5.843 0 1 FKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4nc(Cl)ccc4[nH]3)o2)c1 587051676 SCFMHZGHAQVMOO-UHFFFAOYSA-N 364.619 5.845 0 1 FKAF Fc1cc(Cl)cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587052200 YJAZHXPPONJZCK-IUCAKERBSA-N 355.627 5.933 0 1 FKAF Fc1cc(Cl)cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074686 VHAFLGASJUCACR-MRXNPFEDSA-N 364.251 5.346 0 1 FKAF Fc1cccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1C(F)(F)F 587097111 FCLKGZVEONOLQC-UHFFFAOYSA-N 350.102 5.090 0 1 FKAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(O)c1 587097143 ISBNUZQYVWMILS-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF Cc1nc2c(C)ccc3c2c(c1Cc1ccsc1)-c1ccccc1C3=O 587101447 GXOSQNJJXRJXMH-UHFFFAOYSA-N 355.462 5.715 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccnn3-c3ccccc3)nc3cccc1c23 587105296 XCYZPZHQRFSJIR-UHFFFAOYSA-N 373.415 5.299 0 1 FKAF CC(C)(C)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2c1 587109801 VJXYELXZUCATHO-UHFFFAOYSA-N 362.351 5.244 0 1 FKAF Cc1cc(Br)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1 587112463 KDEAPVDAHVCLBX-UHFFFAOYSA-N 355.157 5.320 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(Br)cc2[nH]1 587170144 JSTSZUGXJZEEFN-JTQLQIEISA-N 365.271 5.360 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1cc2c3c(cccc3n1)CC2 587360857 QHCAAGZISDWNQA-UHFFFAOYSA-N 362.885 6.086 0 1 FKAF CCC1(c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)COC1 587365222 DWPRXICBSYVLNT-UHFFFAOYSA-N 359.425 5.335 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2[C@H](C3)C2(C)C)c1 587367875 ZJXHWGCPVTWMTG-FXAWDEMLSA-N 355.437 5.952 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)c(C)c(C=O)c(C)c1C)CC2=O 587484481 SHJRHFUGNJOEAZ-NRFANRHFSA-N 366.457 5.097 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc(O)c3)cc1)CC2=O 587487377 ZLYHHUGLUAPKMR-QHCPKHFHSA-N 374.436 5.424 0 1 FKAF O=C(O)Cc1c(-c2cc(Cl)ccc2Cl)[nH]c2ccc(F)c(Cl)c12 587627844 BRAMDIFARBKWRK-UHFFFAOYSA-N 372.610 5.561 0 1 FKAF Cc1cc(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587698867 JZRNHNPUYRYRGA-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF CSc1ccc(-c2csc(Cc3cn4cccc(C)c4n3)n2)cc1 587924528 BLWJRYKIVMPPJR-UHFFFAOYSA-N 351.500 5.079 0 1 FKAF CCOc1ccc(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587944848 IXAZPNCGGKQQTC-UHFFFAOYSA-N 353.393 5.002 0 1 FKAF CC(C)C1=CC[C@@]2(C)[C@H](C1)[C@](C)(OC(=O)C=Cc1ccccc1)CC[C@H]2O 2356428189 AMEXRSNEDWSVJH-SGKWCMOWSA-N 368.517 5.155 0 1 FKAF CC(=O)OCC=C(C)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O 2356605442 GYGSQPMBVQQYCF-BLKABHOGSA-N 350.543 5.270 0 1 FKAF CCc1nc2c(-c3ccc(Cl)cc3Cl)nccc2n1[C@H](CC)C1CC1 2005789 ZGJWSJXILFPHDI-MRXNPFEDSA-N 374.315 6.329 0 1 FKAF FC(F)(F)c1ccccc1-c1nc(Nc2ccncc2)c2ccccc2n1 4258539 KEOSJTIYNSQYET-UHFFFAOYSA-N 366.346 5.454 0 1 FKAF CCCCC/C=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1 13605659 WWGDEVTWZFFPPI-LIMNOBDPSA-N 353.506 5.345 0 1 FKAF CC[C@@H](c1ccc(Cl)cc1)[C@](C)(Oc1ccc(C(C)C)cc1)C(=O)O 27549068 CIUMPJTUWUVBKJ-FPOVZHCZSA-N 360.881 5.879 0 1 FKAF N=C(N)c1ccc2cc([C@H]3C[C@H]3c3ccccc3)cc(Br)c2c1 34717870 PDOPCKAPHCDUPT-DLBZAZTESA-N 365.274 5.157 0 1 FKAF CC1(C)OC(=O)[C@@H]2C=C3CCCC[C@H]3[C@H](/C=C/c3ccc4ccccc4n3)[C@@H]21 34802821 RSKWFNCJGFOFGA-UKNUYKNTSA-N 373.496 5.562 0 1 FKAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2c2cc(-c4ccccc4)no2)N3C)cc1 36271012 SSEYJTZXHQMBJU-CETSDDCJSA-N 358.485 5.384 0 1 FKAF C/C(=C/CC/C(C)=C/CC/C(C)=C/CCC(=O)c1ccccc1O)CO 38934588 YZTLBKLOFZVPRV-YRLOCFQLSA-N 356.506 5.747 0 1 FKAF CCSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(F)c2)[nH]1 40429706 JXGRXRVUVYWVKE-UHFFFAOYSA-N 367.371 5.409 0 1 FKAF CC(C)C(=O)c1ccc2c(c1)/C(=C\CCN(C)C)c1ccccc1S2 40719178 ZKFMEGNGUFGUTG-MFOYZWKCSA-N 351.515 5.373 0 1 FKAF CCC(=O)c1ccc2c(c1)/C(=C\[C@@H](CC)CN(C)C)c1ccccc1S2 40719770 JTRFBVUSWMSNNE-YZYPPFLQSA-N 365.542 5.763 0 1 FKAF c1ccc(-c2cc([C@@H]3CCC[C@H]3C3=NO[C@H](c4ccccc4)C3)no2)cc1 45316806 UMNRGIIAUOEACH-PWHSHALESA-N 358.441 5.743 0 1 FKAF Cc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)NC(C)(C)C)ccc3[nH]2)c1 66112730 HQODBKKUROOEOB-UHFFFAOYSA-N 362.517 5.644 0 1 FKAF N#CN1[C@@H](c2ccccc2)CC(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1 72171863 VYOXUVLGIYXMKA-NHTMILBNSA-N 352.437 5.009 0 1 FKAF C[C@H](CNc1cc(Oc2cccc3cccnc23)ncn1)c1ccccc1 82068403 MFXVUCFRJCYWSJ-MRXNPFEDSA-N 356.429 5.033 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cn(CCCCC(=O)O)nn1 84652052 YMZDQMAYIITZMO-CXBQNDLOSA-N 373.541 5.495 0 1 FKAF CC1(C)CCC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CCC2=C3CCC[C@]3(C)CC[C@@]21C 85973830 DQYRCOLJIFTLJT-SQCBAXRMSA-N 368.649 8.316 0 1 FKAF biogenic Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc4ccccc4c3)C2)cc1 95581784 MDZUGYWTXFSAGX-SANMLTNESA-N 362.476 6.504 0 1 FKAF CCCN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(C)s1 95583331 WNWCBUHBVXNKTE-NRFANRHFSA-N 362.498 5.632 0 1 FKAF COc1ccc2c(c1)oc1c(Nc3ccc(Cl)cc3Cl)ncnc12 95593642 VBVVEKGXCGAINU-UHFFFAOYSA-N 360.200 5.435 0 1 FKAF Cc1ccc(-c2c(-c3ccccc3)c3n(c2CC(=O)O)CC(C)(C)C3)cc1 96909248 ICWKNKHORZTNNH-UHFFFAOYSA-N 359.469 5.340 0 1 FKAF CCCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1cccs1 104004995 BDZAUQSYNKUIKM-OAQYLSRUSA-N 366.486 5.705 0 1 FKAF COc1cc2c(Cc3cnc4ccccc4c3)cnc(C3CC3)c2cc1OC 145128341 LKXSAVYIDRPREV-UHFFFAOYSA-N 370.452 5.268 0 1 FKAF C[C@@]12C=C(/C=C\C=C/c3ccco3)[C@@](C)(C1)[C@@H](/C=C\c1ccco1)CC2=O 169332496 UQMOFGNDJAVHLT-XIQYEFCFSA-N 360.453 6.087 0 1 FKAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](Nc3ccccc3O)CCC[C@@]21C 299857528 FJEGWAMBZKMXJO-UVSNUMOOSA-N 357.582 6.852 0 1 FKAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(Sc4ccccc4)cc3[nH]1)C2 586883949 FCLWWKJWHRUKGT-JYJNAYRXSA-N 360.482 5.353 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 586964285 WXCQBQZQQCSENR-QGZVFWFLSA-N 374.509 6.136 0 1 FKAF Oc1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(Cl)c1 587053243 AKYYUMRATBZAGK-UHFFFAOYSA-N 352.846 5.740 0 1 FKAF Fc1cnc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc2c1 587060718 SCWTWFVOOGWHQH-UHFFFAOYSA-N 374.806 5.633 0 1 FKAF Cc1cc(Br)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1 587081500 XWHQACDVBAWLCA-UHFFFAOYSA-N 374.669 5.290 0 1 FKAF Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc(C)n1 587096660 JKLQXOIOYIVOQW-UHFFFAOYSA-N 350.421 5.433 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]3c1ccccc1F 587103572 KITCTPSJZMATGI-QGZVFWFLSA-N 351.380 5.273 0 1 FKAF CC(C)(C)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587145222 IWCOZOIDMCQRNM-UHFFFAOYSA-N 358.460 6.257 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cnc5ccccc5c4[nH]3)c2)c1 587160102 GWKSVUDGOZXEKA-UHFFFAOYSA-N 369.399 5.593 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587170007 HRIDSHSZNCBYOG-SECBINFHSA-N 355.360 5.012 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H](C(C)(C)C)C[C@@H](C)C[C@@H]1C(C)(C)C 587404008 CBNXZRSOKPGUAB-YJVIFYNKSA-N 371.565 6.036 0 1 FKAF CCCC[C@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422589 QVJUGFACQHOPGE-DYESRHJHSA-N 356.849 5.182 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1C[C@H]1c1ccccc1C)CC2=O 587487641 FYZOXDQCUZNFMU-YYDVJCTNSA-N 350.458 5.181 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(CC(C)C)cc1)CC2=O 587491296 WADOKTKZSRCXBL-QHCPKHFHSA-N 352.474 5.424 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1nccs1)CC2=O 587497471 WNPPOCGAEHBCSB-LJQANCHMSA-N 365.454 5.175 0 1 FKAF O=C1C[C@@H](c2ccc(Cc3ccccc3)s2)Oc2c1ccc1c2CCCC1 587533225 VJUFSLBPCWBDCM-QFIPXVFZSA-N 374.505 5.924 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2ccccc12 587600741 CBUVNINBFVCAKV-XUZZJYLKSA-N 368.388 5.248 0 1 FKAF Cc1c([C@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2ccc(F)c(Cl)c12 587631912 LYLDESWMQUALLP-CQSZACIVSA-N 366.864 5.731 0 1 FKAF CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@@]1(C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587820584 ARKQMXRHIKPENP-GZDPUBOHSA-N 366.318 5.020 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(Cl)c1 587864736 JXLGRPPRNMQHJV-UHFFFAOYSA-N 366.770 5.610 0 1 FKAF CC(C)CCc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587922959 KFNHFLHNLJMZBB-UHFFFAOYSA-N 364.489 6.686 0 1 FKAF CCCC/C=C/c1nc2cc(OCCCCC)c(Br)cc2[nH]1 587965873 PYCHPNPISWPQDK-CSKARUKUSA-N 365.315 6.098 0 1 FKAF Fc1cccc(CC[C@]2(C3CC3)c3c(F)cccc3C[C@@H]3CCCN32)c1 963104774 IIHAUMCJBVCUKS-REWPJTCUSA-N 353.456 5.223 0 1 FKAF CCCN1[C@H](c2csc3cnc(Cl)nc23)c2ccccc2C[C@H]1C 963241710 NLLYKIRZGLVUBP-XIKOKIGWSA-N 357.910 5.091 0 1 FKAF c1ccc(-c2ccc(CN3C4=NCCCCN4c4ccccc43)cc2)cc1 1857589499 ZCDAUJPMBQVDGW-UHFFFAOYSA-N 353.469 5.330 0 1 FKAF COc1ccc2c(c1)-c1ccccc1O[C@@H]2c1ccc(Br)cc1 2382231049 XYUFGCRBPFRIDQ-HXUWFJFHSA-N 367.242 5.607 0 1 FKAF Cc1nc(-c2ccccc2)sc1[C@]1(C)CC(c2ccccc2F)=NO1 12726901 DDBIHZBUIMTDDJ-FQEVSTJZSA-N 352.434 5.297 0 3 FKAF Oc1cc2c(cc1CCCOc1ccccc1)O[C@H](CCc1ccccc1)C2 3804595 WPWMIRXEAPDWIV-HSZRJFAPSA-N 374.480 5.340 0 1 FKAF CC(=O)Nc1oc(-c2cncc(-c3cccc(F)c3)c2)nc1-c1ccccc1 13538093 FXRYQZIMCVOCEU-UHFFFAOYSA-N 373.387 5.168 0 1 FKAF CCCN(CCC)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 29486280 LBQHPPISBXXENG-GHTZIAJQSA-N 362.344 6.692 0 1 FKAF Cc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)nc1 84617630 INDMHHREARZNOU-UHFFFAOYSA-N 370.161 5.238 0 1 FKAF O[C@@H](CCCN1[C@H]2CC[C@H]1CC(c1ccccc1)C2)c1ccc(F)cc1 100799529 MMDFRNFDFSNOJN-VABKMULXSA-N 353.481 5.050 0 1 FKAF c1ccc(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 103229502 OCKVNJXFPFUTLI-UHFFFAOYSA-N 370.540 5.026 0 1 FKAF Cc1ccc2c(c1)c1c(n2CCCNCc2ccc(F)cc2)CCCC1 103298744 VPRAVFPHEQQLBJ-UHFFFAOYSA-N 350.481 5.148 0 1 FKAF COc1cccc([C@@H]2CC(=O)[C@@H]3Sc4cc(Cl)ccc4N=C3C2)c1 169715422 GTYBBGOQUBWUGY-HXPMCKFVSA-N 357.862 5.042 0 1 FKAF CC(C)=CCC/C(C)=C/CN1C(=O)[C@@]2(C[C@H](C)C[C@@H](C)O2)c2ccccc21 195344703 FCLSDSXDBAGLFT-HYRNMYCDSA-N 367.533 5.756 0 1 FKAF CC(C)C1([C@H](O)CO)CCCCCCCCCCCCCCCCCC1 238778377 ZAEPPNJAXSAXOU-HSZRJFAPSA-N 368.646 7.017 0 1 FKAF Cc1cc(-c2cncs2)cc2c(Nc3ccc(F)c(Cl)c3)ncnc12 299850202 BIFSNDSAGPUPAP-UHFFFAOYSA-N 370.840 5.598 0 1 FKAF C[C@@H](SCc1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586963090 JXKOEOLONULOGN-LLVKDONJSA-N 368.449 6.169 0 1 FKAF CCc1ccc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 587046648 ZSBIMAGLDJTVJD-UHFFFAOYSA-N 358.869 5.489 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc12 587067804 PZXYUGNSPVZTAA-UHFFFAOYSA-N 362.860 5.659 0 1 FKAF COc1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cc1F 587075465 DXQKNYUMWMHNOV-UHFFFAOYSA-N 353.784 5.093 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C)c1ccccc1C4)-c1ccccc1C2=O 587100500 LIZCXESWKMDSFE-HNNXBMFYSA-N 361.444 5.811 0 1 FKAF Cc1ccc(/C=C\c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1F 587146325 ILRMNLCIEMRXFI-WTKPLQERSA-N 358.420 5.012 0 1 FKAF CCCC[C@@H](O)c1nc2cccc3c2c(c1CCC)-c1ccccc1C3=O 587205960 FMNANRIZFVEMKR-HXUWFJFHSA-N 359.469 5.622 0 1 FKAF FC(F)(F)c1cc(-c2cc3c4c(cccc4n2)CC3)cc(C(F)(F)F)c1 587210341 PGHWCEQQHBFDJV-UHFFFAOYSA-N 367.292 6.038 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2[C@H]4CC[C@@H](C4)[C@@H]32)c1 587365238 FZKILTFMUUQZAT-QPAVJXABSA-N 367.448 6.267 0 1 FKAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O 587446081 SUJOSGBFNZHASX-OFVILXPXSA-N 370.448 5.003 0 1 FKAF O=C1C[C@H](c2cccn2-c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587506401 RWUYOHYHMUNUAZ-JOCHJYFZSA-N 361.416 5.202 0 1 FKAF C[C@@]1(c2cc(F)c(Cl)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506838 PXSVJXORMIAGNY-FQEVSTJZSA-N 362.803 5.378 0 1 FKAF O=C1C[C@@](Cc2ccccc2F)(C2CC2)Oc2c1ccc1c2CCCC1 587507307 VSYNAXBRNIQJMS-QHCPKHFHSA-N 350.433 5.061 0 1 FKAF Cc1[nH]c2c(C)cccc2c(=O)c1Cc1c(C)[nH]c2c(C)cc(Cl)cc12 587626796 WTKWDEVGECYMCZ-UHFFFAOYSA-N 364.876 5.487 0 1 FKAF Cc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1C 587784596 SDOPBXIAQNHGKD-RAXLEYEMSA-N 354.453 5.929 0 1 FKAF CCCc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587820071 OOGXSVGWTBVPHQ-CWTRNNRKSA-N 362.286 5.164 0 1 FKAF CSc1ccc(-c2csc(-c3c(Cl)cccc3Cl)n2)cc1 587924565 CWRXXOGGOXXNLE-UHFFFAOYSA-N 352.311 6.506 0 1 FKAF CCC[C@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(C)C 587955647 RYHMZEUNCIYAFY-VIFPVBQESA-N 363.221 5.884 0 1 FKAF FC(F)(F)c1cnc2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2c1 587961056 HYLAFJLRTPQOKY-UHFFFAOYSA-N 353.347 5.235 0 1 FKAF COc1cc2c(cc1OC)[C@@](CC(C)C)(c1ccccc1C)N(C)[C@H](C)C2 962559482 BZIYQKLSYXVEAN-HOYKHHGWSA-N 367.533 5.178 0 1 FKAF COc1cccc(C(=O)Oc2cc3c(cc2C)[C@@H](C(C)C)CC=C3C)c1 1772616977 RFZDOZXAQNSJSF-LJQANCHMSA-N 350.458 5.769 0 1 FKAF CC(=CC=C[C@H](C)CCC=C(C)C[C@@H](O)C(=O)O)CCCc1ccoc1 2356313134 SVMYQJZZVIQHRV-LAUBAEHRSA-N 360.494 5.303 0 1 FKAF CC[C@@H](C)CCCCCCCCCCCCCCCCC[C@H](O)CO 2356442609 JQEKEXDMJYLFNV-PKTZIBPZSA-N 356.635 7.017 0 1 FKAF CN[C@@H]1CC=C2C=C3CC[C@]4(C)[C@H]([C@H](C)N)CC[C@]4(C)[C@@H]3CC[C@@H]2C1(C)C 2356614797 IECOUAMPFIEPAJ-MKBATWQISA-N 370.625 5.447 0 1 FKAF Cc1cc(Cl)cc([C@H](C)c2ccc3c(c2)Nc2ccccc2S3)c1 2382239475 LJNQXHVJAPVSPP-CQSZACIVSA-N 351.902 7.008 0 1 FKAF CCCCc1c(-c2ccccc2OC)ncn1CCc1cccc(F)c1 95565983 CQMJBJHECXVYJW-UHFFFAOYSA-N 352.453 5.283 0 3 FKAF Cc1ccc(CC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1 3648713 DKMIWASKYFTKIW-UHFFFAOYSA-N 373.500 5.023 0 1 FKAF Cc1cccc(-n2s/c(=N\Cc3ccccc3)nc2-c2ccccc2)c1 13609587 XORICGXPBXIBQX-FCQUAONHSA-N 357.482 5.010 0 1 FKAF COc1ccc(Cl)cc1-c1cc(N)cc(Nc2ccc(Cl)cc2)n1 28522872 XJPZVZMQPYFVGZ-UHFFFAOYSA-N 360.244 5.390 0 1 FKAF CC(C)=C/C=C/C(C)=C/C=C/C(C)=C1/CC[C@H]2CC3(CC[C@]12C)OCCO3 29042578 OCEKTERSTDTPPR-JFQTWHJWSA-N 368.561 6.671 0 1 FKAF C[C@H](CNc1cc(Oc2ccc3ccccc3c2)ncn1)c1ccccc1 82068346 DOBWFQYKGQLIQL-QGZVFWFLSA-N 355.441 5.638 0 1 FKAF CC[C@@H](C)NC(=O)c1nc(-c2ccc(Cl)cc2)c2cc(Cl)ccc2n1 84688851 VVVAKCGZFYEJRT-LLVKDONJSA-N 374.271 5.132 0 1 FKAF FC(F)(F)Oc1cc2[nH]c(-c3ccc(C4CCC4)cc3)nc2cc1Cl 586879160 FMRQFUOLSKMKLM-UHFFFAOYSA-N 366.770 6.049 0 1 FKAF CC(C)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586992366 VWMCRZDPDSEYNC-UHFFFAOYSA-N 365.432 5.942 0 1 FKAF Cc1cc2[nH]c(-c3ccc(Br)c4cc(C)oc34)nc2c(C)n1 587004239 QEQFLVBDORBCOK-UHFFFAOYSA-N 356.223 5.059 0 1 FKAF Fc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1F 587063163 GIMOQHUBGRRPNP-UHFFFAOYSA-N 370.786 5.741 0 1 FKAF CCCc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099704 STYWHYWRIIEGIF-UHFFFAOYSA-N 363.460 6.374 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2)c1 587236201 UMUGVIIOKZDZKN-UHFFFAOYSA-N 367.374 5.957 0 1 FKAF COc1cccc(-c2cc([C@H](C)OC(C)=O)nc3c2oc2ccccc23)c1 587364145 XVRSPPPTRZLZEI-ZDUSSCGKSA-N 361.397 5.281 0 1 FKAF CCN(CC)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587501292 BIENRSVVFJURGU-QFIPXVFZSA-N 367.464 5.257 0 1 FKAF COc1c(-c2ccccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627945 MQLIAJHROZCJLG-UHFFFAOYSA-N 360.257 5.276 0 1 FKAF COc1cccc(C)c1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587786902 NWRVGDMPJQJZNT-UHFFFAOYSA-N 356.731 5.099 0 1 FKAF CC(C)C/C=C(/C(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587821752 XJJBGNZXNOQDRR-GKKFPRJESA-N 368.334 5.792 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3CCCC[C@@H]32)N1 587826029 GBURXCZJTKTGRT-QUHUKJRKSA-N 366.318 5.308 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587951898 JOUXXVZLMOEVTH-USBNGQNGSA-N 358.379 5.767 0 1 FKAF Cc1cc(Br)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 587964995 LONJBNQUUAMCME-UHFFFAOYSA-N 357.295 5.473 0 1 FKAF CC(C)=CCC/C(C)=C/c1nc2c(Cl)c(Br)cnc2[nH]1 587966672 DMDALKFXDKDAMP-JXMROGBWSA-N 354.679 5.524 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(C)(C)C)c1ccnc(Cl)c1 963241593 NAQMHUOSPVERTR-SBUREZEXSA-N 370.968 6.071 0 1 FKAF COc1cccc(Nc2ccnc3cc(OCc4ccccc4)ccc23)c1 1857552375 MRJQHTKDGZQQPR-UHFFFAOYSA-N 356.425 5.566 0 1 FKAF COc1ccc(Cl)c(-c2ccc(NC(=O)Cc3ccccc3)cc2)c1 1857753698 YXPXYELPFHACQR-UHFFFAOYSA-N 351.833 5.197 0 1 FKAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)COc1ccc2c(c1)OCC=C2 2356531269 UXUTZFNIXIHZJK-CMDJXCLXSA-N 368.517 5.529 0 1 FKAF CC(=CCCC1=CC(=O)OC1)CCC=C(C)CC[C@@]1(C)C(C)=CCC[C@H]1C 2356605057 QKFVAMNZQMXWPV-RDGATRHJSA-N 370.577 7.085 0 1 FKAF CC(C)Cc1ccc([C@@H](C)C(=O)NCc2cc(Cl)ccc2Cl)cc1 2382226424 VZULKSPPXWNOOU-CQSZACIVSA-N 364.316 5.612 0 1 FKAF CCc1c(-c2ccc(OCCCN3CCCCC3)cc2)cn2ccccc12 1909698 UUZOHNIUYVKMHS-UHFFFAOYSA-N 362.517 5.424 0 1 FKAF Cc1ccnc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)cs2)c1 13141393 RQGGRJDFWUASJU-UHFFFAOYSA-N 351.353 5.156 0 1 FKAF CC(C)(C)NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1)N2 13153434 WKJWFESSCHFAQW-ZVGWPWKESA-N 374.528 5.511 0 1 FKAF COc1c(O)c(C(C)=O)c(OCc2ccc3ccccc3c2)c2ccoc12 13682265 JIELYSIFLYPDGU-UHFFFAOYSA-N 362.381 5.082 0 1 FKAF Cc1cc(C)cc(-c2[nH]c3ccccc3c2CCNCCc2cccnc2)c1 26017290 KCQWRXMFOBGTFO-UHFFFAOYSA-N 369.512 5.222 0 1 FKAF COc1ccc([C@@H]2[C@@H](CCc3ccccc3)OC(=O)N2c2ccccc2)cc1 26737436 CWYXPRJLCVJZFD-DHIUTWEWSA-N 373.452 5.395 0 1 FKAF CC[C@@H](c1ccc(Cl)cc1)[C@@](C)(Oc1ccc(C(C)C)cc1)C(=O)O 27549063 CIUMPJTUWUVBKJ-PZJWPPBQSA-N 360.881 5.879 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)c3cc(CCC(=O)O)ncc3CC[C@H]21 34065867 QBCQXEYQSRWFAF-TZYAJKAJSA-N 369.549 5.545 0 1 FKAF Cc1cc(C)cc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1 40938528 APLADIXDVQYNTR-KRWDZBQOSA-N 356.473 5.519 0 1 FKAF CCCCCN(CCCCC)C(=S)NC12CC3CC(CC(C3)C1)C2 68572258 FGOIEVUZRIMHJW-UHFFFAOYSA-N 350.616 5.512 0 1 FKAF biogenic O=C1CCN(Cc2ccccc2)C[C@H]1C1c2ccccc2Oc2ccccc21 72112037 NQSXLEYZSLXMOS-OAQYLSRUSA-N 369.464 5.015 0 1 FKAF O=C(O)c1c2c(cc3ccccc13)Nc1c(cc3ccccc3c1C(=O)O)N2 96328900 UOTCCLDOMXEOTH-UHFFFAOYSA-N 370.364 5.190 0 1 FKAF biogenic CC/C=C\CCCCCCCCC/C=C\CCCCCCCC(=O)O 103227494 WUFNGRHMSMIHAC-GEUUWGDVSA-N 350.587 7.835 0 1 FKAF Cc1noc(C)c1-c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)cc1 118257082 IIDHNMJVHAGIJI-UPVQGACJSA-N 374.484 5.099 0 1 FKAF CCOc1cc(-c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)ccc1O 167020388 PXASEQPWIWEMGM-XYOKQWHBSA-N 356.425 5.505 0 1 FKAF O=C(c1ccccc1Oc1ccccc1)[C@H](c1ccccc1)c1ccccn1 169333205 YWLKOXGOEVIXCD-XMMPIXPASA-N 365.432 5.889 0 1 FKAF CCCCCc1oc(/C=C/CCCCCCCCC(=O)OC)c(C)c1C 238758610 RUCZWPKXLJSUKH-SAPNQHFASA-N 362.554 6.936 0 1 FKAF CC[C@@]1(C)C[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586890126 NEJXCKVAYKIVHE-SDBXPKJASA-N 363.177 5.128 0 1 FKAF Cc1cc(C)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 586978284 ZILKKRRRBXRCKT-UHFFFAOYSA-N 365.658 5.175 0 1 FKAF COc1cc(OC)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 587016618 ZPJVGXGKXQXPNF-UHFFFAOYSA-N 371.849 5.024 0 1 FKAF COc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587065230 WDCSUPCVMULTRI-UHFFFAOYSA-N 354.793 5.064 0 1 FKAF Clc1cccc(-c2cc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)n[nH]2)c1 587068785 YVDOZZJKPAIPJQ-UHFFFAOYSA-N 363.635 5.580 0 1 FKAF Clc1ccc(CC2(c3nc4cccc(Br)c4[nH]3)CC2)cc1 587073564 LDJUNVLUZVAYKM-UHFFFAOYSA-N 361.670 5.253 0 1 FKAF Cc1ccc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c2c1 587144658 MQTDRUULRZDGNX-UHFFFAOYSA-N 360.388 5.351 0 1 FKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1 587150441 PYHOUTXCRAAUAB-GOSISDBHSA-N 371.337 5.321 0 1 FKAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc3ncccc3c2[nH]1 587151496 ZFJSKFPGDOGRFL-JOCHJYFZSA-N 368.415 5.452 0 1 FKAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587232731 BDIFAOVWFFZXBB-ZFWWWQNUSA-N 357.498 5.021 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCCc3ccc(Cl)cc31)CC2=O 587463214 SXNWGVKTESUDQW-JOCHJYFZSA-N 370.876 5.585 0 1 FKAF CC(C)(C)C1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587605179 YDHFXTDIMLOPCW-PELQFQBLSA-N 366.457 5.329 0 1 FKAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Cl 587692047 JITBPPCTWWNRAO-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF C(=C\c1ccccc1)\COCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587781308 STVWXWKQNOBISZ-YFHOEESVSA-N 356.425 5.585 0 1 FKAF C[C@H](Cc1nc(-c2ccc(F)c(F)c2)cs1)n1ccc(C(F)(F)F)n1 587922164 KFURAJQTSXNDQK-SECBINFHSA-N 373.350 5.107 0 1 FKAF Cc1ccccc1C(C)(C)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587954590 BGKHAXUIWSMKOM-UHFFFAOYSA-N 358.510 6.348 0 1 FKAF Cc1ccc(F)c(-c2cc(F)cc([C@H](CC(=O)O)c3ncc(C)s3)c2)c1 1772574465 NCODPLDIOQOJOU-KRWDZBQOSA-N 373.424 5.312 0 1 FKAF O=C(Nc1ccccc1-c1cccc2c1[nH]c1ccccc12)C1CCCCC1 1857641996 RBNIUUXIVMMSBD-UHFFFAOYSA-N 368.480 6.507 0 1 FKAF CC[C@@]1(C=C(C)C(=O)O)[C@H]2[C@H](C)C[C@@H](C)[C@H]2C(C)=C[C@H]1c1ccccc1 2356542206 NZZHSJZMHIQBPW-NVRVQKSLSA-N 352.518 6.066 0 1 FKAF CC[C@@H](C)NC(=O)C=CC=CCCCCC=Cc1ccc2c(c1)OCO2 2356782387 DYIPBGULDOZWPD-GOSISDBHSA-N 355.478 5.016 0 1 FKAF Nc1cccc(-c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)c1 2382253493 XQBFXLBVBZNDOS-UHFFFAOYSA-N 368.267 5.641 0 1 FKAF COc1ccc(-c2ccccc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl 13755785 KZIVRPXSIUTGGU-UHFFFAOYSA-N 372.873 5.086 0 1 FKAF Cc1cccc2c([C@H](O)[C@H]3CCCCN3)cc(-c3ccc(Cl)cc3)nc12 27524203 PCDPGQIUKYMHHO-KNQAVFIVSA-N 366.892 5.039 0 1 FKAF CCCCCc1cnnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 28825627 UMMILIJIYFWZHO-UHFFFAOYSA-N 352.187 5.326 0 1 FKAF C[C@H]1N=C(S)N(Nc2cc(Cl)ccc2Cl)[C@H]1c1ccccc1 29330162 QWHAZJTXPSTYRY-MEBBXXQBSA-N 352.290 5.052 0 1 FKAF CCN(CC)CCC[C@@H](C)Nc1nc2ccc(Cl)cc2n2cccc12 29571974 CDQPPKDSDRGCJT-OAHLLOKOSA-N 358.917 5.063 0 1 FKAF CC(C)c1ccc([C@@H]2N=C(S)N(C(C)C)c3cc4c(cc32)OCO4)cc1 39290310 YTRDGEXKIOEWDP-FQEVSTJZSA-N 368.502 5.142 0 1 FKAF Clc1ccccc1-c1nnc(COc2ccc(-c3ccccc3)cc2)o1 40392595 CYUBQICJDSMCTJ-UHFFFAOYSA-N 362.816 5.636 0 1 FKAF CC(C)CCc1cnc(CCc2ccc(-c3ccccc3C(=O)O)cc2)[nH]1 49069551 HWZRPXOVLFEPKD-UHFFFAOYSA-N 362.473 5.149 0 1 FKAF CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccc(F)cn3)cc2)n1 49087903 KYTBMJJCUATLFE-UHFFFAOYSA-N 351.469 5.375 0 1 FKAF Nc1ncc(-c2ccc(Cl)cc2)n1C1CCCCCCCCCCC1 66103482 ZASUYFJPNVYEGE-UHFFFAOYSA-N 359.945 6.632 0 1 FKAF Clc1cccc(Cl)c1-c1nc2ccccn2c1NC1CCCCC1 72177664 LPGXETOWIOBOFU-UHFFFAOYSA-N 360.288 6.053 0 1 FKAF Cc1ccc([C@@H](C)NCc2coc(-c3ccccc3Br)n2)cc1 72184117 CJNHWMXYGNORTP-CQSZACIVSA-N 371.278 5.263 0 1 FKAF CC(C)c1cc(C(C)(C)C)cc(-c2ccc(-c3ccccc3)cc2)c1CO 73312657 MAUQDQHFSQYTAL-UHFFFAOYSA-N 358.525 6.934 0 1 FKAF COCc1ccc(-c2ccc3oc(N4Cc5ccccc5C4)nc3c2)cc1 144944486 NWOHIHILPRCSAM-UHFFFAOYSA-N 356.425 5.161 0 1 FKAF Cc1cccc(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)c1Cl 221078709 DZFREUGVFUDNIJ-INIZCTEOSA-N 357.862 5.379 0 1 FKAF CCCCC1CCC(c2nc3c(Br)cc(Cl)cc3[nH]2)CC1 313807722 VQWIHUSGFQSGSC-UHFFFAOYSA-N 369.734 6.443 0 1 FKAF Oc1ccc(-c2cccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)cc1 586899175 XMSMYYRLYXCSIR-UHFFFAOYSA-N 356.759 5.534 0 1 FKAF Cc1ccc(SCc2nc3cccc(OCc4ccccc4)c3[nH]2)c(C)c1 586965464 XXVZEQABPSZNQL-UHFFFAOYSA-N 374.509 6.051 0 1 FKAF Cc1ccc(CSCCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 586970224 ITEJLOANRYMMEC-UHFFFAOYSA-N 352.290 5.049 0 1 FKAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cccc(O)c2[nH]1 586982796 QFQHPSIXBLJAHE-AWEZNQCLSA-N 373.294 5.403 0 1 FKAF Fc1ccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c1 587015932 YZUKMAFMMRWPPG-UHFFFAOYSA-N 364.232 5.799 0 1 FKAF c1ccn(-c2sc3c(c2-c2nc4c5c(ccc4[nH]2)CCCC5)CCC3)c1 587033569 XOGTXXCYOIFWGB-UHFFFAOYSA-N 359.498 5.450 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@H](C(C)C)CC[C@H]4C)-c1ccccc1C2=O 587100637 MZGOBYKQAKUZHR-ZBFHGGJFSA-N 355.481 6.392 0 1 FKAF CCCC[C@@H]1CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587102182 ZBSOFRBWFBRSFS-MRXNPFEDSA-N 355.481 6.050 0 1 FKAF COc1cc2nc(-c3cc(F)c(C)cc3Br)[nH]c2cc1Cl 587137594 CABPWHCGZUAXDG-UHFFFAOYSA-N 369.621 5.102 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)Cc1ccccc1-3)O2 587404373 FPASGPWAQWEIDM-XMMPIXPASA-N 355.437 5.029 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3ccccc3)cc1)O2 587410461 NCRLFCCJJUKHGG-OAQYLSRUSA-N 361.466 5.435 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1C1CCCCC1)CC2=O 587479442 IHDKIRJMHWFLFB-AUSIDOKSSA-N 356.506 5.819 0 1 FKAF CC(C)c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603608 QBRGGYZDRVDKHY-REWPJTCUSA-N 360.409 5.219 0 1 FKAF CCCC[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604292 SEDUDXJTIKYXRH-YIFZBPKDSA-N 352.430 5.083 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)F)cc2)N1 587717962 MTXIDGDRYGYICG-JDNHERCYSA-N 370.212 5.149 0 1 FKAF Cc1[nH]c2ccccc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587806167 VKGXWHGBROTDDA-GIGQVBGESA-N 373.269 5.002 0 1 FKAF CC1=CC(C)(C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587819995 XQXXKOQURTVVNW-XIKOKIGWSA-N 352.291 5.084 0 1 FKAF C[C@H]1[C@H](NC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)C[C@@H]2C[C@H]1C2(C)C 1857585906 ATUHJXDTKTWWDG-YJKIEOBBSA-N 365.304 5.275 0 1 FKAF CCCCCCSc1ccc(C(=O)CC[N@]2C[C@@H]2C)c(Cl)c1Cl 1857607042 APGLOJXHKLCBCF-YEJXKQKISA-N 374.377 5.943 0 1 FKAF Cc1c(-c2ccc(O)cc2)cnc(O)c1[C@@H]1[C@H](C)C[C@H](C)C[C@](C)(O)[C@@H]1C 2356709949 CVKLZCJJHAKETK-KCUZWMTQSA-N 369.505 5.005 0 1 FKAF O=C(Nc1ccccc1)c1cc(OCc2ccccc2)c2ccccc2c1 2382232655 JOZDMNNMFYZNNW-UHFFFAOYSA-N 353.421 5.671 0 1 FKAF C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccc(Cl)cc1 13218777 YBTBCXZAITUMHA-UHFFFAOYSA-N 369.855 6.136 0 1 FKAF CCCC(=O)c1cnc2c(C(C)=O)cccc2c1Nc1ccc(O)cc1C 26664095 CABGDBRAPNASEC-UHFFFAOYSA-N 362.429 5.178 0 1 FKAF Cc1cc(NC(=O)Nc2ccccc2OC(F)(F)F)c2ccccc2n1 35049756 IOBYFFYRLCCNLS-UHFFFAOYSA-N 361.323 5.086 0 1 FKAF COc1cc(/C=C/Cc2cc(O)c3cc(C)sc3c2)cc(OC)c1OC 40762475 WXPWTAFUUBPGEE-FNORWQNLSA-N 370.470 5.197 0 1 FKAF O=C1c2ccccc2CC[C@@H]1CCN1CC=C(c2c[nH]c3ccccc23)CC1 45189102 DJIOHAKTOGKYTN-HXUWFJFHSA-N 370.496 5.092 0 1 FKAF CCCCCC[C@@H](O)C/C=C\CCCCCCCc1nc2ccccc2[nH]1 45497703 AAJLDPHIMVBCTN-ZDKIGPTLSA-N 370.581 6.724 0 1 FKAF Clc1ccc(-c2nc3sc4ccccc4n3c2Cn2cccc2)cc1 72180968 DDNGDPYOSHMMDY-UHFFFAOYSA-N 363.873 5.719 0 1 FKAF Cc1cccc(CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)c1F 145209595 BYWFWWXPFQIRHR-UHFFFAOYSA-N 370.424 5.213 0 1 FKAF CC(C)(C)OC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)cs2)C1 166083956 QDTSHUMWFAJWAW-CQSZACIVSA-N 362.470 5.064 0 1 FKAF Cc1nc2cccc(C)c2c(Nc2ccc(N3CCN(C)[C@@H](C)C3)cc2)c1C 169354964 JLEBPSNYUGYMNN-KRWDZBQOSA-N 374.532 5.044 0 1 FKAF C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1 204750820 YLKDCSFIEDEUOJ-GUYCJALGSA-N 366.852 5.293 0 1 FKAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(O)cc2[nH]1 586981914 GBOVOYVGEWMJDI-CQSZACIVSA-N 373.294 5.403 0 1 FKAF CC(C)CC[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991164 KSWISSPCOFEWIP-AWEZNQCLSA-N 357.453 5.618 0 1 FKAF Fc1cc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1F 587069461 DIPYZIUCUMJULF-UHFFFAOYSA-N 370.786 5.741 0 1 FKAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c(F)cnc(Cl)c2[nH]1 587073323 BPSOLJHMOUTPBK-UHFFFAOYSA-N 372.230 6.046 0 1 FKAF Cc1c(Br)cc2[nH]c(-c3ccc(OC(F)F)cc3)nc2c1C 587130889 SNKIDPUCRBJQFO-UHFFFAOYSA-N 367.193 5.211 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(F)c(F)c4[nH]3)ccc2F)cc1 587139466 KNOPGTWXFSSYSW-UHFFFAOYSA-N 366.342 5.517 0 1 FKAF O=C(Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)c1ccccc1 587212088 BQDRQEDDCRQMKE-UHFFFAOYSA-N 350.421 5.253 0 1 FKAF CCc1cccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587406155 PXTWFNHVTGWPRQ-XMMPIXPASA-N 357.453 5.049 0 1 FKAF COc1cc2c3c(c1)O[C@@](CC(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587424292 YNHVADWFVNGSDO-UWJYYQICSA-N 356.849 5.038 0 1 FKAF Cc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(F)F 587503536 HIJRDUJUXJWAIQ-SFHVURJKSA-N 358.384 5.182 0 1 FKAF CC(C)c1ccc2c(c1)[C@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587534396 DPVKPLXUAAWYCE-DEOSSOPVSA-N 362.469 5.332 0 1 FKAF CC(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600221 ACDLCXOSXSRBLU-OFNKIYASSA-N 360.409 5.219 0 1 FKAF CCCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600239 AJXSCKYMKIQMRW-NZQKXSOJSA-N 360.409 5.048 0 1 FKAF COc1ccc(Cl)cc1-c1[nH]c2c(C(=O)O)cccc2c1C(F)(F)F 587637361 HJCFJKSULMOMTI-UHFFFAOYSA-N 369.726 5.214 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(C)c(C)c3)c2c1 587641393 INCUPCPYANUFOA-LBPRGKRZSA-N 355.428 6.467 0 1 FKAF CC[C@@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814621 UZZPRIVUWADWHV-DJJJIMSYSA-N 362.286 5.084 0 1 FKAF Cc1c(F)ccc2c1[C@@H](c1ccc(-c3ccc(F)c(Cl)c3)cc1)NCC2 962380489 WWRXRSUXRIZQMP-JOCHJYFZSA-N 369.842 5.829 0 1 FKAF CCc1ccc(-c2ccc([C@@H]3N[C@H](CC)Cc4c3[nH]c3ccccc43)o2)cc1 962946683 ACPHNEWDRZFNQZ-CJAUYULYSA-N 370.496 6.004 0 1 FKAF CC(C)[C@@H]1CC=C2[C@H](O)CC[C@H](C)[C@@]2(C)[C@H]1OC(=O)C=Cc1ccccc1 2356430423 KSKDEVFGRYPGMM-SEADLJTASA-N 368.517 5.011 0 1 FKAF CC(C)=CCC[C@@]1(C)C=Cc2c(ccc3c2[nH]c2c(O)cc(C=O)cc23)O1 2356577759 PMWYFOJRXNXUKS-QHCPKHFHSA-N 361.441 5.750 0 1 FKAF CCCCNC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC4=O 36387921 PQZWOPSCARSDCV-QCIYFODSSA-N 373.581 5.275 0 3 FKAF CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCCC 4213788 GGIMTSBTXJOXKT-FGZHOGPDSA-N 372.553 5.740 0 1 FKAF CSC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1 13532076 ZKQWCEXMWMUQBA-UHFFFAOYSA-N 357.276 5.547 0 1 FKAF CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)O)cc3)c(Cl)cc21 13738445 ILTGZDGUCGJVPV-UHFFFAOYSA-N 370.876 5.618 0 1 FKAF O=C(O)[C@@H]1CCCN(CCCCC=C(c2ccccc2)c2ccccc2)C1 13801381 AGFNOWSHNVPYMD-JOCHJYFZSA-N 363.501 5.085 0 1 FKAF O=c1cc(-c2ccccc2)oc2cc(O)c(C/C=C/c3ccccc3)c(O)c12 15113548 BAHFSEZASCPWAI-JXMROGBWSA-N 370.404 5.127 0 1 FKAF Cc1c(O)ccc2c(-c3c(Cl)cc(NC(=O)O)cc3Cl)cccc12 28524626 HOFMVIZUUIREPR-UHFFFAOYSA-N 362.212 5.918 0 1 FKAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1ccccc1)C(F)(F)F 28862171 GODVLDDDFMZIIA-IBGZPJMESA-N 370.386 5.038 0 1 FKAF C[C@H]1[C@@H]2Cc3ccc(NCCc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 29553517 CBEQNEFYEBRKMD-CNVLFFCLSA-N 374.572 5.275 0 1 FKAF Clc1ccc2c(Nc3ccc(Cl)c(CN4CCCC4)c3)ccnc2c1 40953745 GKIIERMSLWYOBW-UHFFFAOYSA-N 372.299 5.881 0 1 FKAF CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 49014731 UCFNEWPQOVEKII-YYWHXJBOSA-N 365.473 5.317 0 1 FKAF CCCN(CC[C@@H](C)[C@H]1CC=C(C)CC1)S(=O)(=O)c1ccc(C)cc1 49072249 ZTECIBBFIKJRLV-UXHICEINSA-N 363.567 5.168 0 1 FKAF CC(C)(C)c1ccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc1 64503861 HGGYVGGPSHIHCE-UHFFFAOYSA-N 369.472 5.370 0 1 FKAF CCCCCOc1ccc(-c2nc(CN[C@@H](C)CCCCC)co2)cc1 72183460 WADIFDYQVFCKFK-SFHVURJKSA-N 358.526 5.969 0 1 FKAF CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 95560689 GOKKVHKQHFMMKY-FQEVSTJZSA-N 364.445 5.319 0 1 FKAF Cn1c2ccccc2c2cc(/C=C3\C(=O)Nc4ccc(Cl)cc43)ccc21 95563881 VFNSOYZWZXNWDN-WQRHYEAKSA-N 358.828 5.478 0 1 FKAF CC(C)[C@]12CC[C@]3(CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]3C1)[C@@H](CN)C2 195516119 CFSIKOAGZWBLPX-QYYQSERESA-N 361.570 5.085 0 1 FKAF O=C1C[C@H](N(Cc2ccccc2)[C@H]2CCc3ccccc3C2)c2ccccc21 253676121 AAEFZAOPNBNCRL-DHLKQENFSA-N 367.492 5.374 0 1 FKAF CC(C)=CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255281766 XSHOQEAJWUFKPE-QSNVUPPFSA-N 370.621 6.919 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(C)cc(Br)cc4[nH]3)cc2)o1 586903206 MVRSRPJHSOGPKZ-UHFFFAOYSA-N 367.246 5.869 0 1 FKAF Cc1cc2c(Br)ccc(-c3nc4ccc(Cl)nc4[nH]3)c2o1 587002558 BIVMGJGUOLRRTP-UHFFFAOYSA-N 362.614 5.095 0 1 FKAF FC(F)(F)c1cc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c2cc1Cl 587088025 SCPVGCKELFYMDV-UHFFFAOYSA-N 370.161 6.037 0 1 FKAF Cc1cc(C)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2c1 587095265 UEFOEAZATXZFGT-UHFFFAOYSA-N 358.285 5.884 0 1 FKAF Cc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Cl 587114418 TYHGUZPUTZLDRI-NSHDSACASA-N 352.787 5.890 0 1 FKAF Cc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1F 587122917 AEUKESSXNODEKM-DAXSKMNVSA-N 352.356 5.793 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(F)c(Br)c2[nH]1 587156283 SMGCWGYCBAOCPE-GFCCVEGCSA-N 367.193 5.134 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)c(O)c1Cl)CC2=O 587460772 PEXAJFKRKPWTPQ-HNNXBMFYSA-N 367.228 5.064 0 1 FKAF Cc1ccc(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587534803 YTXPMWSWCGCXEU-QHCPKHFHSA-N 358.437 5.840 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(Br)c(O)c2[nH]1 587950818 NWUPXYYDXPMHIL-SUNKGSAMSA-N 367.287 5.077 0 1 FKAF CC(C)Oc1cc2nc(CC3CCCCCC3)[nH]c2cc1Br 587961598 UZWAODNFSYJGPG-UHFFFAOYSA-N 365.315 5.626 0 1 FKAF Cc1cc2c(cc1F)[C@H](c1cc(C)c(-c3ccccc3)nc1Cl)NCC2 962376700 QFMQWQGCGCDZRA-OAQYLSRUSA-N 366.867 5.393 0 1 FKAF c1coc(CN2CCc3sccc3[C@@H]2c2ccccc2OCC2CC2)c1 962714899 RPOCECZDXJBALT-QFIPXVFZSA-N 365.498 5.278 0 1 FKAF Cc1sc2c(c1C)CCN[C@@]2(c1ccccc1C(F)(F)F)C(C)(C)C 963024034 MASKKBPHRJZFDG-LJQANCHMSA-N 367.480 5.819 0 1 FKAF c1ccc(-c2ccc([C@H](OCCCc3cnc[nH]3)c3ccccc3)cc2)cc1 1772618891 LGENCIDACQCARL-RUZDIDTESA-N 368.480 5.816 0 1 FKAF CC(C)(C)c1ncc(C[S@](=O)C(c2ccccc2)c2ccccc2)s1 1857559109 LCDGXCYUIKLVQT-VWLOTQADSA-N 369.555 5.479 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C]3C=CN(CC(=O)O)C=C3CC[C@H]12 2356865547 NKXDUWNOFBRCSE-PJIZGREPSA-N 356.530 5.401 0 1 FKAF COc1cccc(-c2nc3nc(C)cc(C)n3c2Nc2c(C)cccc2C)c1 4755492 JTUZRQLKVRDXGG-UHFFFAOYSA-N 372.472 5.382 0 3 FKAF Cc1cc(Cl)ccc1Nc1nc(N(C)c2ccccc2)c2ccccc2n1 13742298 KFYFJOHDUSSJTN-UHFFFAOYSA-N 374.875 6.103 0 1 FKAF CCCCOc1ccc(NC(=N)Nc2ccc(OCCCC)cc2)cc1 13780927 UEKORNPZBHKKRD-UHFFFAOYSA-N 355.482 5.503 0 1 FKAF in-vivo COc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)cc(N)n1 28523382 JOBIHAIPJWIJJU-UHFFFAOYSA-N 360.244 5.390 0 1 FKAF CCCCCCC(C)(C)c1cc(OC)c(-c2cc(C)cc(C)c2)c(OC)c1 29563496 QGXJMYJHRVJDGF-UHFFFAOYSA-N 368.561 7.236 0 1 FKAF O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCc2c([nH]c3ccccc23)C1 40379866 OECFXYBXDANJCQ-UHFFFAOYSA-N 370.427 5.173 0 1 FKAF CCCCCCOc1ccc(C(=O)CCNc2cccc(Cl)c2)cc1 42920754 KNPWKYPFGSHIOM-UHFFFAOYSA-N 359.897 5.984 0 1 FKAF CC(C)N(CCC(=O)c1ccc2c(Cl)cccc2c1)Cc1ccccc1 45388580 ZYSIPVVPZSGADL-UHFFFAOYSA-N 365.904 5.977 0 1 FKAF c1coc(-c2nc(N3CCCCC3)ncc2-c2nc3ccccc3s2)c1 82165783 HTUSBSBFFQIFJW-UHFFFAOYSA-N 362.458 5.004 0 1 FKAF CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118937615 UMRURYMAPMZKQO-PWESUTCOSA-N 362.941 5.187 0 1 FKAF biogenic Oc1ccc(-c2cc(-c3cccc(O)c3)nc3c2COc2ccccc2-3)cc1 473120532 OAKODUYHTJSBJF-UHFFFAOYSA-N 367.404 5.386 0 1 FKAF Cc1cc(-c2nc3cc(F)c(F)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879867 SWNFTLPEZXPXHR-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C3=CCCC3)[nH]c12 586884518 QOAIVZGFNVHOBT-UHFFFAOYSA-N 371.362 5.401 0 1 FKAF O=C1c2ccccc2-c2cc([C@H]3C[C@H]4C=C[C@H]3CC4)nc3ccc(O)c1c23 586992695 XYNIAZYNVCBVGK-ZQIUZPCESA-N 353.421 5.222 0 1 FKAF CCc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587081335 OLFUXMIHZFRICN-UHFFFAOYSA-N 373.847 5.155 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc5ccccc5n4)nc13)-c1ccccc1C2=O 587095901 CQNVCNPDKQEBHZ-UHFFFAOYSA-N 372.427 5.970 0 1 FKAF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(F)cc1Cl 587102567 ANJCMQUZPHGYNR-UHFFFAOYSA-N 373.814 6.214 0 1 FKAF C[C@@H](c1nc2cccc(F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130250 QPHLVTIYIDKUJE-YFKPBYRVSA-N 364.705 5.036 0 1 FKAF COc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1F 587149241 IZAOEPVPJIDSIA-FQEVSTJZSA-N 365.383 5.051 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OCCC(C)C)O2 587379118 SQDYAQPSOLQOQX-HXUWFJFHSA-N 373.880 5.362 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1cccc4c1oc1ccccc14)[C@@H](C2)C3=O 587455526 OBRVOLIDPQPXSR-GAJHUEQPSA-N 356.377 5.083 0 1 FKAF C[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508740 SRPXKGIXFVZVEC-FQEVSTJZSA-N 361.268 5.753 0 1 FKAF C[C@]1(c2cccc(-c3ccncc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587513764 FIXBCOOZRQPKIH-RUZDIDTESA-N 369.464 5.508 0 1 FKAF O=C1C[C@@](/C=C2\CCCO2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587530553 DKEQOSRKURZFOY-KOZCBZIKSA-N 360.453 5.120 0 1 FKAF O=C1C[C@](c2ccccc2)(c2ccccc2O)Oc2c1ccc1c2CCCC1 587531919 IWWZUMQCWLSLAS-VWLOTQADSA-N 370.448 5.180 0 1 FKAF CC1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCCC1 587604428 WPFNZDHDHRYXGW-GCJKJVERSA-N 352.430 5.083 0 1 FKAF O=C(O)c1cc(-c2[nH]c3cccc(F)c3c2-c2ccc(Cl)cc2)c[nH]1 587633436 DKELYXBTTOTDPZ-UHFFFAOYSA-N 354.768 5.321 0 1 FKAF C(=C\c1ccccc1)\COCc1nc2cccc(OCc3ccccc3)c2[nH]1 587780541 CGEXVJSPQLIRMR-JYRVWZFOSA-N 370.452 5.372 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](C)c3ccccc32)N1 587817003 HEOZIWIMAYMAJN-IZDJOXEWSA-N 374.297 5.263 0 1 FKAF CCCCC1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587819937 XHPPKFUQVMVIET-VFPJAPOESA-N 368.334 5.698 0 1 FKAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)c1 587933262 WUQNFOICZFTHLA-UHFFFAOYSA-N 350.805 5.265 0 1 FKAF OCc1ccc([C@H](CC2CCCC2)c2cc3cccnc3[nH]2)cc1Cl 653807608 ZJSWYTAJRQXWKP-SFHVURJKSA-N 354.881 5.421 0 1 FKAF CCC[C@]1([C@@H](C)CC)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962630534 KAYGMMBUPKBALU-ZWSUVBHBSA-N 362.561 5.475 0 1 FKAF COc1ccc(Cl)c2c1CCN[C@]2(c1cccc(Cl)c1)C1CCC1 963257123 HOMIHYFHVPWOEA-FQEVSTJZSA-N 362.300 5.191 0 1 FKAF CO[C@@H](c1nc(SC(C)C)nc(O)c1C)c1c(Cl)cccc1Cl 1857615820 KXQUYESTBBIGAA-CQSZACIVSA-N 373.305 5.034 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@@]12C 2356390230 UPLFAPLODUYLJO-ZSXHLVCCSA-N 358.610 6.464 0 1 FKAF CC(=O)O[C@@H]1C[C@@H]2C(C(C)C)=CC[C@@]2(C)CC=C(C(=O)O)CCC=C1C 2356607080 PGLAOOCIGQLYBN-KCZVDYSFSA-N 360.494 5.058 0 1 FKAF CC(C)=CCc1cccc2c([C@@H](C=C(C)C)C3=C=C=C=C[C@H](N)C=C3)c[nH]c12 2356651871 GNLIWLAZNLNPEH-UPVQGACJSA-N 368.524 6.015 0 1 FKAF CCCC[C@H]1Oc2ccc(Cl)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 3831983 KJSHBZLXBZYVMR-HXUWFJFHSA-N 367.920 7.238 0 1 FKAF CC(C)(C)c1ccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc32)cc1 5834053 SDSLCVIEYMMTNP-UHFFFAOYSA-N 367.707 6.342 0 1 FKAF CCCCc1cccc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)n1 13673126 IUBJZXDBNXDHPG-MAVXZQHMSA-N 367.533 5.441 0 1 FKAF CCCC/C=C/[C@H](c1ccccc1)[C@H](CO)Cc1cnc2ccccc2c1 13828799 PJVWQPGHGKWJIT-RUENKOOFSA-N 359.513 5.916 0 1 FKAF Cc1cc(O)c2c(c1)O[C@](C)(CC[C@H]1[C@@H](C(=O)O)CCCC1(C)C)C=C2 14708676 JXSPLJWXHJTYIW-YHEJKZAPSA-N 358.478 5.172 0 1 FKAF biogenic Clc1ccc([C@@H]2SC3(CCNCC3)c3ccccc32)c(Cl)c1 27872032 KOHLQAVODCKQCE-QGZVFWFLSA-N 350.314 5.408 0 1 FKAF CCCCC[C@@H](C)SC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 28097976 JPUVEYMMQIVSGF-QAFNJYRZSA-N 368.583 5.683 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\[C@@H](F)CCC(=O)OC 28341764 AYMZWAADCUJCHQ-IGRVXYBSSA-N 374.540 6.975 0 1 FKAF CC1CCC(NCc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccc(O)cc2)CC1 28714068 UZYWNMNHDXLFCZ-UHFFFAOYSA-N 373.500 5.022 0 1 FKAF CCCCCc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nn1 28825626 ZFBFICSZKAYMMA-UHFFFAOYSA-N 352.187 5.326 0 1 FKAF COC(=O)C[C@H]1CCC[C@H](CCCCCCCCCCc2ccccc2)O1 33816132 UYTVHKZGZWOESS-XZOQPEGZSA-N 374.565 6.241 0 1 FKAF biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1ccc(-c2ccccc2)cc1 49071279 ZWJNAMKJCNTTPC-VOQZNFBZSA-N 351.490 5.903 0 1 FKAF COc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(C)cc2)cc1 84711302 ZGSZMPDOCVMVPM-UHFFFAOYSA-N 369.468 5.468 0 1 FKAF O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cc2c3c(c1)CCCC3CCC2 96907122 USQQJJSFLDCPAH-UHFFFAOYSA-N 369.848 5.047 0 1 FKAF COc1cccc2c(Oc3ccc4c(C)cc(=O)oc4c3)cc(Cl)nc12 98082092 AEVQVTSKXFTMCV-UHFFFAOYSA-N 367.788 5.104 0 1 FKAF CCCCC[C@](C)(O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2CC[C@@H]1C2 100930210 ZVXFCSQGGXYOEG-IRNKCMHJSA-N 362.554 5.737 0 1 FKAF COc1ccc(OC)c(/C=C/c2nnc(Nc3ccc(Cl)cc3)s2)c1 103193614 DBTKENXJDGQOKM-XCVCLJGOSA-N 373.865 5.123 0 1 FKAF Cc1ccc(C2=C(c3ccc(Oc4ccc(F)cc4)cc3)C(=O)OC2)cc1 299822704 DDWQAPXHHQHCNF-UHFFFAOYSA-N 360.384 5.394 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(O)c3)nc(-c3cccc(O)c3)c2)c1 299827730 HLEVEEUDVKWQHM-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF Cc1csc(SCc2ccc(-c3nc4c(Cl)cncc4[nH]3)cc2)n1 587020365 PIIQDUVLVUZUKN-UHFFFAOYSA-N 372.906 5.336 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H](C(C)(C)C)CCC4)-c1ccccc1C2=O 587100464 KWPOLQFTRGURII-IBGZPJMESA-N 355.481 6.221 0 1 FKAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(Cl)ccnc2[nH]1 587247915 XSNJGSVAXLRQKU-UHFFFAOYSA-N 364.836 5.026 0 1 FKAF CC[C@@]1(c2c(Cl)cccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420952 JRYRHOHMXRZQPM-CWTRNNRKSA-N 363.240 5.055 0 1 FKAF CCCCC[C@]1(c2cn(C)nc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587516982 YQGRHKRGPPMMEL-HSZRJFAPSA-N 366.505 5.048 0 1 FKAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2cccc(F)c2)cc1 587631060 WGIDDQNYEXWAFV-UHFFFAOYSA-N 369.798 6.442 0 1 FKAF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587695438 NRCDVXBPDXUSPF-BMLIUANNSA-N 368.677 5.174 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccccc3c2)N1 587824775 YLAARMYGBZYLOK-ODXCJYRJSA-N 370.265 5.365 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1Cc1cccc(O)c1 587859978 KNEPHYDKWMAFPU-UHFFFAOYSA-N 363.244 5.010 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587951853 JACCESAAUIXLHX-HSMVNMDESA-N 372.456 6.221 0 1 FKAF C[C@]1(CCC(F)=C(F)F)NC2(CC2)Cc2ccc(Br)cc21 961325070 PIBPOZPXPGUKFE-OAHLLOKOSA-N 360.217 5.200 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]21CCC[C@H]1c1ccccc1Cl 963099609 PMNKVFJMXOMXHV-RBDMOPTHSA-N 355.884 5.663 0 1 FKAF O=Cc1cc2sc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)cc2s1 963101095 JESDEYCSISLWOK-YJYMSZOUSA-N 357.475 5.024 0 1 FKAF Cc1cc2nc(-c3ccc(F)cc3)c3c(-c4ccccc4)ncn3c2cc1C 205863639 YTPVABRRUGXMNN-UHFFFAOYSA-N 367.427 5.972 0 3 FKAF Cc1cccc(C)c1C(=O)Nc1nc(-c2ccccn2)cc2ccccc12 13672119 HKEJNATYDZLNIG-UHFFFAOYSA-N 353.425 5.166 0 1 FKAF FC(F)(F)c1ccc(NC(=S)c2cnoc2C2CCCCC2)cc1 26285170 ZWBTVIOFUFZUIH-UHFFFAOYSA-N 354.397 5.529 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](CCC(=O)OC)OC 28342504 GRHVOKGSEFZGCR-GNPSETDFSA-N 372.549 6.262 0 1 FKAF C=C(c1cc(Cl)ccc1OCc1ccsc1Cl)n1ccnc1 28765509 QMFKLDWQHJVRJZ-UHFFFAOYSA-N 351.258 5.349 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCCO 38146682 KFUGLIFIBPAGFC-MLFLMRJSSA-N 361.570 5.631 0 1 FKAF Fc1ccc([C@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)c(F)c1F 45369040 NZPFOGAFXJOEPL-LJQANCHMSA-N 351.331 5.162 0 1 FKAF FC(F)(F)c1ccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)cc1 72180392 AVFAMBUBFUHWNZ-UHFFFAOYSA-N 369.346 5.272 0 1 FKAF COc1ccc([C@@H]2CC3=Nc4ccc(F)cc4SC3=C(O)C2)cc1OC 100796310 NKUKURNSCKFLTA-GFCCVEGCSA-N 371.433 5.368 0 1 FKAF CC(=O)[C@]12CC=CC[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 118914418 HVHYRVHDTSSVNF-YFZYAMFLSA-N 368.561 5.462 0 1 FKAF biogenic CCOC(=O)NCCSC/C=C(\C)CC/C=C(\C)CCC=C(C)C 149199930 ABBMATXNEBQOKJ-NWLVNBMCSA-N 353.572 5.885 0 1 FKAF CCCCCC[C@@H]1C=C/C=C(\CO)C2=C3[C@H]1CCCC[C@@]31OC(C)(C)O[C@@H]21 169296451 FMIQTBFLGZMDLX-KHHGHKSLSA-N 372.549 5.452 0 1 FKAF O=NC=C1C=CN(CCCCCCCCN2C=CC(=CN=O)C=C2)C=C1 195808910 UFKCACZNMZQGHD-UHFFFAOYSA-N 354.454 5.314 0 1 FKAF O=C1OC[C@H](c2ccc(C3CCCCC3)cc2)N1c1ccn2ccnc2c1 202247347 RQAFWOJSEXYQNB-HXUWFJFHSA-N 361.445 5.080 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(O)c3)nc(-c3ccccc3O)c2)c1 299832093 RLNMTNLDWLABSE-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF CC/C(=C(/c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccc(O)cc1 299865953 UWOPVWPBQVKOIN-IZHYLOQSSA-N 373.496 5.358 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586895944 CUGYXMDGBBRXQQ-UHFFFAOYSA-N 358.294 5.159 0 1 FKAF Fc1cc(F)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 587049491 APOQVPQIQYPBKZ-UHFFFAOYSA-N 365.166 6.075 0 1 FKAF Clc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c(Cl)n1 587049927 JNDSTVASTYXQMQ-UHFFFAOYSA-N 363.635 5.376 0 1 FKAF Cc1c([C@@H]2CCOC(C)(C)C2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101841 QNVNYTQPTXUSOX-MRXNPFEDSA-N 371.480 5.736 0 1 FKAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587196030 PANPESQISXOYOY-SNVBAGLBSA-N 367.802 5.453 0 1 FKAF O=C1c2ccccc2-c2cc(-c3nc4ccccc4s3)nc3cccc1c23 587207167 CFSBDRXVMTYMBS-UHFFFAOYSA-N 364.429 5.723 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CN2CCC3CC2)c1 587362096 DPDHFKWBSIOHPO-UHFFFAOYSA-N 370.452 5.350 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC(C)C)(c1ccc(Cl)cc1)CC2=O 587462015 MMIRTPOZFLUSTE-QFIPXVFZSA-N 372.892 5.905 0 1 FKAF O=C1C[C@H](c2ccc3c(Cl)nccc3c2)Oc2c1ccc1c2CCCC1 587497749 GJJUKRBULGCTGF-HXUWFJFHSA-N 363.844 5.474 0 1 FKAF O=C1C[C@H]([C@@H]2CCC[C@@H](C(F)(F)F)C2)Oc2c1ccc1c2CCCC1 587510679 XIMNZSMVFWPNFG-HBUWYVDXSA-N 352.396 5.268 0 1 FKAF CC[C@]1(c2ccc(OC(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523679 OFSHUMFJMJGKKY-XMMPIXPASA-N 364.485 5.623 0 1 FKAF CC/C=C/CCCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602024 IDGWJLGVRRKMTM-CKXGLSNISA-N 366.457 5.639 0 1 FKAF CC1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCCC1 587604430 WPFNZDHDHRYXGW-XMSQKQJNSA-N 352.430 5.083 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2C(C)(C)C2(C)C)N1 587813165 BQVJSSSNYBEYHB-YPMLDQLKSA-N 354.307 5.020 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(/C=C/c3cccc4ccccc34)nc2c1 587969025 PMEAOTAJPKVXPL-CMDGGOBGSA-N 372.777 6.559 0 1 FKAF COc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1 653776558 MCHQXCVGZTWKIE-UHFFFAOYSA-N 364.445 5.121 0 1 FKAF CC[C@]1(c2cc(Cl)cc(Cl)c2)N[C@@H]2CC[C@@H]2c2ccc(OC)cc21 962991843 FPZNXDKPEAZCDT-MISYRCLQSA-N 362.300 5.505 0 1 FKAF CCCc1ccc(Oc2cc(CCC)cc(OC)c2OC(C)=O)c(OC)c1 1857555966 XPLPIICHCYAVDM-UHFFFAOYSA-N 372.461 5.326 0 1 FKAF O=C1Nc2ccc(Nc3ccc(Cl)cc3)cc2[C@H]1CC1CCCCC1 1857604173 MMSGXKLIORHAAI-LJQANCHMSA-N 354.881 6.090 0 1 FKAF O=S(=O)(/C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc(Cl)cc1 1857648919 AJLFCHCLQZHLTC-CCEZHUSRSA-N 368.885 5.593 0 1 FKAF CCC=CCC=CCC=CCC=CCCC=CCCC=CCCC(=O)O 2356607981 YOWPDSQEIZPPKN-UHFFFAOYSA-N 356.550 7.329 0 1 FKAF Fc1ccc(/C=C/c2cc(N3CCOCC3)c3cc(Cl)ccc3n2)cc1 2382236879 YEQHEVUMSKLTKK-XVNBXDOJSA-N 368.839 5.034 0 1 FKAF CCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 13437717 XLGVIPRRJYUYBR-UHFFFAOYSA-N 371.540 6.750 0 1 FKAF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCC(=O)O 34334813 YHGJECVSSKXFCJ-SFGLVEFQSA-N 356.550 7.329 0 1 FKAF endogenous,in-man CC[C@]1(c2ccc(F)cc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F 36479987 DLOULBRPXHNRCM-KRWDZBQOSA-N 370.321 5.028 0 1 FKAF O=C(c1ccc(OCCCN2CCCCC2)cc1)c1cccc2ccccc12 40762373 WUZWFOFDHZEFIY-UHFFFAOYSA-N 373.496 5.326 0 1 FKAF O[C@@H]1Cc2ccc3ccccc3c2N[C@H](c2ccc(Cl)cc2Cl)C1 40939167 MTUNCTKMDUEXIC-BEFAXECRSA-N 358.268 5.607 0 1 FKAF Cn1nc(C(C)(C)C)cc1NCc1coc(-c2ccc(C(C)(C)C)cc2)n1 72186513 UYDVOBHMYPHNEQ-UHFFFAOYSA-N 366.509 5.282 0 1 FKAF CCCCCCc1cn([C@@H](C)c2ccc3c(c2)c2ccccc2n3C)nn1 84669032 AGXHDXLBZHAKGM-KRWDZBQOSA-N 360.505 5.655 0 1 FKAF Cc1ccc(C(=O)c2c(-c3cccc(C(F)(F)F)c3)csc2N)cc1 84730927 GSZJBAFDBLDCLX-UHFFFAOYSA-N 361.388 5.556 0 1 FKAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2c1ccncc1 253930170 XAAZZZPPMNDFEH-YIHQKJIGSA-N 351.534 5.489 0 1 FKAF Clc1ccc2nccc(N3CCC(c4c[nH]c5ccccc45)CC3)c2c1 473082642 JZCNCXZCPQQXAQ-UHFFFAOYSA-N 361.876 5.754 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)CC1 586880683 PLDFRPBLIBZARV-QAQDUYKDSA-N 366.936 7.347 0 1 FKAF CCCCCc1nc2ccc(O)c3c2c(c1CCCC)-c1ccccc1C3=O 586990319 BEPMRTKZTPMNIX-UHFFFAOYSA-N 373.496 6.227 0 1 FKAF Cc1c(Br)ccc2nc([C@H]3SCCc4sccc43)[nH]c12 587037331 UBAXPIXGKMCXBW-AWEZNQCLSA-N 365.321 5.074 0 1 FKAF CC1=CC[C@H](c2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)C1(C)C 587100961 QFXHETCJGLNURL-HXUWFJFHSA-N 353.465 6.214 0 1 FKAF Fc1cccc(C2(F)CC(c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)c1 587131551 NGGWQTZFRASATP-UHFFFAOYSA-N 352.306 5.463 0 1 FKAF Cc1c(Cl)ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587164530 UCFMBYKHSUKYQB-RVDMUPIBSA-N 368.864 6.314 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cncn2CC3)c1 587362896 JGWMAIQIZWQYNC-UHFFFAOYSA-N 367.408 5.076 0 1 FKAF COc1cccc(-c2cc(CN3CCCCC3)nc3c2oc2ccccc23)c1 587363426 NAVLIRGJHZTVHV-UHFFFAOYSA-N 372.468 5.643 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)c(C)c1)CC2=O 587463332 WXZCBCIBZWDVDQ-GOSISDBHSA-N 364.363 5.378 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)c(Cl)c1)CC2=O 587463488 XLULNXCVJIQIFU-IBGZPJMESA-N 365.256 5.532 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1C(C)(C)C)CC2=O 587479229 CKWQHGHVYQCZBY-QHCPKHFHSA-N 352.474 5.523 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)CCc2ccccc21 587480506 LBFHHAQUQFOFDT-DEOSSOPVSA-N 364.485 5.568 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](Cc3ccccc3)C1)CC2=O 587481493 MNGTXMAEPBUIMH-SBUREZEXSA-N 350.458 5.092 0 1 FKAF O=C1C[C@H](c2cc(-c3ccc(F)cc3)on2)Oc2c1ccc1c2CCCC1 587502117 BPHOJWBUFMWBCG-OAQYLSRUSA-N 363.388 5.066 0 1 FKAF O=C1C[C@H](c2cccc(F)c2C(F)(F)F)Oc2c1ccc1c2CCCC1 587505562 HUMCXNMMTKWXRN-QGZVFWFLSA-N 364.338 5.430 0 1 FKAF O=C1C[C@@H](c2ccc(Oc3ccccc3)nc2)Oc2c1ccc1c2CCCC1 587515789 RJURAVFXUPIYSG-QFIPXVFZSA-N 371.436 5.459 0 1 FKAF Cc1ccc([C@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587516003 STZRGVRESBEWBY-VWLOTQADSA-N 369.464 5.178 0 1 FKAF CCCCC(CCCC)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600919 DBXDWLCEIJNBJE-OFNKIYASSA-N 368.473 5.719 0 1 FKAF CCCC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604656 VDWBJLHZURJRRS-JOXBDYEASA-N 352.430 5.083 0 1 FKAF CCc1nccn1-c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627906 LWCSNLVXLITPNF-UHFFFAOYSA-N 361.289 5.262 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)N(C)Cc1cccc(Cl)c1 587628824 RBBDSYABMCPNOD-UHFFFAOYSA-N 365.235 5.194 0 1 FKAF CC(C)C[C@H](C)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587812782 KIGUKKPJJVSVCK-VEVIJQCQSA-N 356.323 5.410 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/C2CCCCC2)N1 587813423 CLVLFBLDXVCLHZ-LFHUJZDRSA-N 366.318 5.474 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC2CCCCC2)N1 587813547 OTEYCMRUHHIRHH-DJJJIMSYSA-N 368.334 5.698 0 1 FKAF Cc1oc2ccccc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587827576 KTCVWSHGXBBRRO-APBUJDDRSA-N 374.253 5.266 0 1 FKAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(Oc4ccccc4)cc3[nH]1)CC2 587945663 HIOMCRIQKHDBSI-KRWDZBQOSA-N 370.452 5.636 0 1 FKAF CC[C@@]1(Cc2nc3ccc4nc(C)ccc4c3[nH]2)CC(=O)c2ccccc2C1 587959039 BOLGEXNAEGDOTF-DEOSSOPVSA-N 369.468 5.188 0 1 FKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)C1 587968299 YXZUWZCUGKRVAU-HZPDHXFCSA-N 350.531 6.644 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(F)cc2)(C(C)(C)CC)N1 962951631 UKGWGMLNSDWABI-HOYKHHGWSA-N 364.508 5.911 0 1 FKAF O=C(Nc1nccc2cc(-c3c(Cl)cccc3Cl)sc12)C1CC1 1772598966 UIICOJMWXQEEML-UHFFFAOYSA-N 363.269 5.619 0 1 FKAF Cc1ccc2c([C@H](CC(F)(F)F)c3ccco3)c(-c3ccccc3)[nH]c2c1 1857550066 RTAXHKHEIQOXFJ-QGZVFWFLSA-N 369.386 6.821 0 1 FKAF CC(C)=CCC/C(C)=C/CCC1=C[C@H](c2cc(F)c(F)c(F)c2)OC1=O 1857644401 YASPXAGKLJXETI-XOVNIXPASA-N 364.407 6.101 0 1 FKAF O=C1[C@@H](c2cccc3ccccc23)Oc2ccccc2N1Cc1ccccc1 1857766875 IELYJBZATKSZGJ-XMMPIXPASA-N 365.432 5.507 0 1 FKAF CCO[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@@H](C)[C@@]21C 2356691700 TWEHZCXWBLXVIK-AUVQURDESA-N 360.494 5.152 0 1 FKAF CCCc1nc2ccc(Br)cn2c1Cc1cccc(Cl)c1 95569022 AWBLQBFMBWDOLN-UHFFFAOYSA-N 363.686 5.294 0 3 FKAF CCCOc1cc(-c2cc3c(=O)[nH]c(C)nc3cc2C(C)C)ccc1Cl 3820238 ICAKHSWCSZCVGZ-UHFFFAOYSA-N 370.880 5.464 0 1 FKAF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)C1=Cc1cc(O)c(O)c(C=O)c1O 14709976 VGSQRECMCPQJNS-XJDIIYGHSA-N 358.478 5.262 0 1 FKAF biogenic C/C(=C\Cc1c(O)cc(C)c(C=O)c1O)CC[C@@]1(C)[C@@H](C)CCC(=O)[C@H]1C 14856830 JSPPDMSCDGJJOM-LNYYBHOUSA-N 372.505 5.129 0 1 FKAF CCCC[C@@H](NC(=O)c1cccn1C(C)C)c1c(F)cccc1Cl 29048072 ORTKEOQJFKWELM-MRXNPFEDSA-N 350.865 5.523 0 1 FKAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C=CCC[C@]4(C)[C@@H]3CC[C@]12C 29560644 HUBQDSPJUPTEJO-LQCNHDFWSA-N 355.566 5.646 0 1 FKAF CC1(C)C[C@@H](NC(=O)Nc2cccc(Cl)c2)c2cc(Cl)ccc2O1 35846615 YTCPAIDEHJAZKD-OAHLLOKOSA-N 365.260 5.417 0 1 FKAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 59098806 GPAGWSVBQUHVII-RUZDIDTESA-N 351.342 5.218 0 1 FKAF CCCCCn1c2ccccc2c2cc(C(=O)NN3CCCCC3)ccc21 96938011 AXOUKHAFZGMSBQ-UHFFFAOYSA-N 363.505 5.115 0 1 FKAF Cc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3s2)cc1 169351383 JUWAIZPCKVYECW-UHFFFAOYSA-N 357.442 5.082 0 1 FKAF CCCCCc1csc(-c2csc(=Nc3cccc(SC)c3)[nH]2)c1 473091522 ZFRZMSCILNVCCS-UHFFFAOYSA-N 374.600 6.492 0 1 FKAF CC[C@H]1OCCC[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586910695 JJNKVJVJXULDBE-JOYOIKCWSA-N 366.305 5.273 0 1 FKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587051841 UJEQCQNVNLVXBC-KBPBESRZSA-N 357.284 6.020 0 1 FKAF Cc1cc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2cc1F 587064865 IFXUDLRMBOEHER-UHFFFAOYSA-N 354.816 5.133 0 1 FKAF CNc1cc(Cl)ccc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587066155 GISHIIWGSCXFPI-UHFFFAOYSA-N 361.832 5.156 0 1 FKAF Clc1ccc(CN2CCC[C@@H]2c2nc3ccc4c(c3[nH]2)CCCC4)cc1 587076987 OOLSOHGOROCCHN-HXUWFJFHSA-N 365.908 5.432 0 1 FKAF Cc1ccc2c3c(cc(CN4CCCC[C@H]4C)nc13)-c1ccccc1C2=O 587096232 FYNZAKZOTJFWIF-MRXNPFEDSA-N 356.469 5.129 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1sccc1C)O2 587411168 RODBPLQHKXNPKC-JOCHJYFZSA-N 363.482 5.051 0 1 FKAF O=C1CC2(CCC(C3CCCCC3)CC2)Oc2c1ccc1c2CCCC1 587527387 USFIBOTWPYWKQN-UHFFFAOYSA-N 352.518 6.040 0 1 FKAF CCC(CC)c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535046 HSWYWHICIVIGJD-SFHVURJKSA-N 355.503 5.632 0 1 FKAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cccc2ccccc12 587659754 CCMJAVJATWUBFD-UHFFFAOYSA-N 366.395 5.345 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccccc2Cl)N1 587696096 KWFAORTYXPWZRG-MEBBXXQBSA-N 368.677 5.060 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2C(C)(C)C2(C)C)N1 587813832 FAIGVXTWTCGKOP-MGNBDDOMSA-N 354.307 5.020 0 1 FKAF CO[C@H](C)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923100 OPUJNISJWDTBCD-GFCCVEGCSA-N 352.434 5.805 0 1 FKAF Cc1cc2c(cc1F)[C@](c1ccc(Br)s1)(C(C)C)NCC2 962147776 QJDTYEONVSHULI-KRWDZBQOSA-N 368.315 5.003 0 1 FKAF COc1ccc2c(c1)[C@](C)(c1ccc(-c3ccc(F)cc3)cc1)N[C@@H]1CC[C@@H]21 962994429 KMQODTKHBQYIOO-CAOCKLPOSA-N 373.471 5.614 0 1 FKAF S=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2[nH]ccc2c1 1239343849 UGDZQPDNVWOOOH-UHFFFAOYSA-N 359.454 5.769 0 1 FKAF COc1cc(C(=O)O[C@@H]2CC=C(C)CCCC(C)(C)CC=C2C)ccc1O 2356573897 DXFUHPQQBUICFH-HXUWFJFHSA-N 372.505 5.809 0 1 FKAF CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccco1)c1ccccc1C(F)(F)F 5978534 FZALWCVKBMQFFE-SIIHOXLZSA-N 365.395 5.596 0 3 FKAF CC(C)=CCC/C(C)=C/CC[C@H](C)N1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1 13756356 CKIQSCJROIUFAT-JKAXHDNHSA-N 373.625 6.277 0 1 FKAF FC(F)(F)c1ccc(-c2cc(Oc3ccnc4ccccc34)ncn2)cc1 14974091 CCSLVONYNNJBDZ-UHFFFAOYSA-N 367.330 5.503 0 1 FKAF CCOC(=O)c1ccc(/C=C(C)/C=C/[C@@]23O[C@]2(C)CCCC3(C)C)cc1 28235792 OHQAJZCZAQLZGZ-DMFKVPCNSA-N 354.490 5.561 0 1 FKAF C=C(c1cc(Cl)ccc1O[C@@H](C)c1cccc(Cl)c1)n1ccnc1 28762898 VUAQLFNKEJARIM-AWEZNQCLSA-N 359.256 5.849 0 1 FKAF CCCCNc1ccc(C(=O)OCCCN(CCCC)CCCC)cc1 29037924 NAZCWJXOZUYLLU-UHFFFAOYSA-N 362.558 5.348 0 1 FKAF CC1(C)C2=CC[C@@H]3[C@@H]4CC[C@H](OC5CC5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC[C@@H]1O 40368487 MRAKBRVMYBYECZ-DKUVXEGFSA-N 358.566 5.494 0 1 FKAF CC(C)c1ccc(O[C@@H](CCn2ccnc2)c2ccc(Cl)cc2)cc1 40864759 CASHJYAPTPNWCS-NRFANRHFSA-N 354.881 5.870 0 1 FKAF c1ccc(Cc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1 72124478 RVJXPLUAWZIYGH-UHFFFAOYSA-N 371.484 5.010 0 1 FKAF O=C(Oc1cccc2oc(-c3ccccc3)cc12)c1cccc2ccccc12 96922094 NAXCZHVBRLOZAS-UHFFFAOYSA-N 364.400 6.472 0 1 FKAF FC(F)(F)c1ccc([C@@]2(OCc3ccccc3)C[C@@H]3CC[C@H](C2)N3)cc1 101300670 MYNMNBPZOKCPBO-PMOLBWCYSA-N 361.407 5.032 0 1 FKAF [C-]#[N+]c1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1 145984465 GFANKNRLXMKUKO-UHFFFAOYSA-N 364.408 6.230 0 1 FKAF CCCCC/C=C/C/C=C/C/C=C\C/C=C/CC[C@H](C)C(=O)NCCF 169692768 HMMNZALKMVCHHZ-CETHYRJRSA-N 363.561 6.464 0 1 FKAF CC(=O)OC[C@]1(C)CCC[C@@H]2C1=CC[C@H](C)[C@@]2(C)CC[C@@H](C)CC(=O)O 238768476 AQFJNPAKSUOMPS-ZBWGPZDVSA-N 364.526 5.219 0 1 FKAF Brc1ccc(-c2ccc(/C=C\c3nc4cccnc4[nH]3)o2)cc1 586998401 KUXYMRISDSOMRV-NTMALXAHSA-N 366.218 5.151 0 1 FKAF CCCOc1cc2nc(/C=C/c3ccsc3)[nH]c2cc1Br 587026241 SSOALSWITHVFIP-ONEGZZNKSA-N 363.280 5.346 0 1 FKAF Oc1cccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587047135 CODSGBUZYAIKDR-UHFFFAOYSA-N 355.224 5.909 0 1 FKAF Clc1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1Cl 587053753 IAFBXAUQGRZYCH-SNAWJCMRSA-N 358.055 6.347 0 1 FKAF O=C(O)c1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587062658 IDVHXNWQNDKGJS-UHFFFAOYSA-N 362.816 5.172 0 1 FKAF Oc1cccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587071565 OWPPZBBVDOPSQI-UHFFFAOYSA-N 350.805 5.168 0 1 FKAF Clc1ccc(-c2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2)nn1 587088053 SMKPPFAEYHELTH-UHFFFAOYSA-N 356.816 5.494 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@](C)(O)[C@H]1C[C@@H]4C1(C)C)-c1ccccc1C2=O 587101351 MMYLGCCHTRDIEZ-TZPNTHKFSA-N 369.464 5.105 0 1 FKAF C=CC(=O)Nc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 587245113 XOAGIOZYAZXRBH-UHFFFAOYSA-N 365.742 5.027 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cccc(Cl)c13)CC2=O 587463058 VMYDGMBDOIWFLK-SFHVURJKSA-N 355.821 5.186 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1CCCCF)CC2=O 587466882 PVNHDNGFYMKRRL-QHCPKHFHSA-N 370.464 5.518 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccncc3)cc1)CC2=O 587488318 ITUKTKNRXSRISR-XMMPIXPASA-N 373.452 5.287 0 1 FKAF CCc1ccc(CC(C)(C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526118 QYOWIMUMBBUYIQ-QHCPKHFHSA-N 362.513 5.731 0 1 FKAF CCCCC/C=C\CC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603961 SNQPQQQXEBQYFS-OIDOJQHXSA-N 366.457 5.639 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CC3CCC2CC3)N1 587819363 MBFOXMZBQVGAQV-SVPGUONWSA-N 366.318 5.164 0 1 FKAF CC1=CCC[C@H](C)[C@@H]1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587823346 PBKKLYQBNLFXSY-UQLKUDODSA-N 352.291 5.156 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2Cl)N1 587844341 NBDWRTBJONQSPI-GLEZIHRCSA-N 374.706 5.101 0 1 FKAF Cn1cccc1CN1CCc2sccc2[C@@H]1CCc1ccc(Cl)cc1 962376835 RAWMREAYBHCCKG-FQEVSTJZSA-N 370.949 5.472 0 1 FKAF c1cncc(CN2CCc3sccc3[C@H]2c2cccc3c2CCCC3)c1 962990959 CLFNIWRNYIKFMH-HSZRJFAPSA-N 360.526 5.170 0 1 FKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)c(C(=O)c2ccccc2)c1O 2356497090 ZAIQNYMNZNXUAF-UHFFFAOYSA-N 366.457 5.270 0 1 FKAF CC(C)=C[C@@H]1C[C@@](C)(C=Cc2ccc3cc[nH]c3c2)c2cc3cc[nH]c3cc21 2356682771 STKFDMFOGFXEHA-QFQXNSOFSA-N 366.508 7.074 0 1 FKAF CC(C)(C)NC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]21)CC4=O 36387886 NEOONGYNIJYGRY-HBCYGQLZSA-N 373.581 5.273 0 3 FKAF CC(C)C[C@@H](N)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 61898397 PGWYCSBUYVMIIM-GOSISDBHSA-N 365.502 5.164 0 3 FKAF c1ccc2c(CCCCN3[C@H]4CC[C@@H]3c3c([nH]c5ccccc35)C4)c[nH]c2c1 13827368 XNMOWIHSJLFIBW-MHECFPHRSA-N 369.512 5.734 0 1 FKAF CC[C@@H]1CC=C[C@@H]2[C@@H](c3cc(C)ccc3F)N(Cc3ccccc3)C(=O)[C@@H]21 13830143 CCRXMTHZKHHYRR-VNHKHXMHSA-N 363.476 5.436 0 1 FKAF O=C(CCCCCCc1cccc(Cl)c1)c1ncc(-c2ccccn2)o1 14979897 AJTFTOJFTFVQHK-UHFFFAOYSA-N 368.864 5.766 0 1 FKAF CCCCSc1cc(C(F)(F)F)c2cc3c(cc2n1)NC(C)(C)CC3 27412754 VAWAQUCTWORRFF-UHFFFAOYSA-N 368.468 6.283 0 1 FKAF Cc1ccc(Oc2ccc(-c3ccccc3)cc2Cl)c(CC(=O)O)c1 28765961 NURVYSGQLWKIHE-UHFFFAOYSA-N 352.817 5.735 0 1 FKAF CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CC1(C)C 34800999 PUQPKVFFZKBJLD-TZIWHRDSSA-N 372.915 5.082 0 1 FKAF C[n+]1ccccc1/C=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 40862939 KTSJKVAOPUOZCZ-VOTSOKGWSA-N 364.774 5.614 0 1 FKAF Cc1ccc([C@@H](CCN(C)C)NC(=O)c2cccc(-c3ccccc3)c2)cc1 45286035 BWJBNDNMEHLJIV-XMMPIXPASA-N 372.512 5.085 0 1 FKAF COc1cccc2c1CCC[C@H]2CCCN1CCC(C2CCCCC2)CC1 45317072 MRPKDJVATMDGCK-QFIPXVFZSA-N 369.593 6.188 0 1 FKAF CCC(=O)c1ccccc1N[C@@](C)(OC(C)C)c1onc2ccccc12 68588238 UMKWWKNATUSQQV-NRFANRHFSA-N 352.434 5.130 0 1 FKAF biogenic C=CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)OC1 73224471 GHECWPQDONYTMP-GOSISDBHSA-N 360.240 5.186 0 1 FKAF CCCCc1ccc(-c2cc(N[C@@H]3C[C@@H](C)CC(C)(C)C3)ncn2)cc1 82162066 GYIMYFQJWRNBEO-YLJYHZDGSA-N 351.538 6.113 0 1 FKAF Cc1ccc(CNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3C)n2)o1 82177126 HXVGKNLGCIWWHD-UHFFFAOYSA-N 374.444 5.237 0 1 FKAF CC(C)(C)N[C@@H](c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 103265747 DYNMXXYTOFUDLF-OAQYLSRUSA-N 350.893 5.880 0 1 FKAF CC(=O)OCC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@H](C)CCO 137470741 SLGMGFKPPLEAAO-HMNPXLOQSA-N 350.543 5.127 0 1 FKAF c1ccc(Sc2ccc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3c2)cc1 586888696 LQMGDXQKTQLCCX-RDPSFJRHSA-N 368.505 6.086 0 1 FKAF C[C@H]1CCO[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C1 586916681 BYUXZNBHFAZNEL-CPCISQLKSA-N 352.278 5.088 0 1 FKAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(OC(C)C)cc2[nH]1 587066150 KHUHDBKQDSLZIS-UHFFFAOYSA-N 358.869 5.324 0 1 FKAF COc1ccc(O)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097256 KBNWNEDAJUBZNS-UHFFFAOYSA-N 367.404 5.136 0 1 FKAF CCOC(=O)C(CC)(CC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107269 RGWGIUXTHBSBGR-UHFFFAOYSA-N 373.452 5.067 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)/C(=C/c1ccco1)CCC3 587207985 ZSPNRIPWIWEKSK-CCEZHUSRSA-N 363.416 5.916 0 1 FKAF COc1cccc(-c2c(CCC(F)(F)F)cnc3c2oc2ccccc23)c1 587360402 NOXXISDCCIHWTE-UHFFFAOYSA-N 371.358 6.152 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(Cl)c(Cl)c1)CC2=O 587468367 WQIJRSWPODYSJK-INIZCTEOSA-N 369.219 5.497 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c([C@H](C)CC)c1)CC2=O 587478996 LPLJSESWKFXBLH-PEBXRYMYSA-N 368.473 5.573 0 1 FKAF O=C1C[C@@]2(CCc3cc(Cl)cc(Cl)c32)Oc2c1ccc1c2CCCC1 587501446 SDYKGXVMUYIPRI-OAQYLSRUSA-N 373.279 5.679 0 1 FKAF C[C@@]1(c2ccc(SC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587509114 WFCBSERAHUIOEY-NRFANRHFSA-N 374.452 5.761 0 1 FKAF O=C1C[C@H](c2cscc2Br)Oc2c1ccc1c2CCCC1 587534082 ASNALFAMEYOZRX-MRXNPFEDSA-N 363.276 5.096 0 1 FKAF Cc1ccccc1[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599810 HQWLVDLIEPRQTB-ZJSXRUAMSA-N 374.436 5.214 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CC1CC1)c1ccccc1 587600251 AKFTZSSKUAONSI-ZJSXRUAMSA-N 372.420 5.049 0 1 FKAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)N(C)Cc1ccccc1Cl 587623996 VMKYGOKIGNNIMS-UHFFFAOYSA-N 361.272 5.364 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C3CCOCC3)c(NC(=O)OC(C)(C)C)c2c1 587642526 MCEIRTQIVXMRBB-AWEZNQCLSA-N 372.509 5.922 0 1 FKAF Cc1c(Cl)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587697390 VZIMREHUIYUILX-HUTHGQBESA-N 368.677 5.174 0 1 FKAF CC(C)(C)c1cccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587782236 JTRQEMARVFDLTE-UHFFFAOYSA-N 372.468 5.812 0 1 FKAF COC(=O)c1cccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587949471 HOUCEPOKEYRIDD-CCEZHUSRSA-N 370.408 5.312 0 1 FKAF Cc1cccc(CC[C@@]2(C)NC3(CC3)Cc3ccc(Br)cc32)c1 961610231 AZBSLUJRPHVAIW-HXUWFJFHSA-N 370.334 5.284 0 1 FKAF COc1ccc2ncc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)cc2c1 962665784 QAKXUUGEXHFPOP-VWLOTQADSA-N 366.464 5.146 0 1 FKAF Cc1sc2c(c1C)CCN[C@H]2c1ccnc(-c2ccc(Cl)cc2)c1 963008828 KDMVHPLKOPQZQW-IBGZPJMESA-N 354.906 5.315 0 1 FKAF CCC(C)(C)[C@@]1(c2ccc(OC)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963096939 GRXBDEXCCFIETC-HYBUGGRVSA-N 367.508 5.535 0 1 FKAF Cc1c(F)ccc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1C(F)(F)F 963117586 XCUMOWYORNOWGX-DJJJIMSYSA-N 367.361 5.402 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(C)=O)c1ccccc1Cl 963232310 RJVIYMNYFAYOSA-KSFYIVLOSA-N 355.909 5.219 0 1 FKAF CCN(CC)c1ccc(NC(=O)c2cc(C)sc2-c2cc(C)on2)cc1 1857566983 PNEFNUQMTMNGAO-UHFFFAOYSA-N 369.490 5.118 0 1 FKAF CCC(=CCc1ccc2c(c1O)C(=O)C[C@@H](c1ccccc1O)O2)CC 1857650897 JWVHEJMNQOCLJA-FQEVSTJZSA-N 352.430 5.093 0 1 FKAF CC(C)=CCCC(C)=CCC[C@@]1(C)C=Cc2c(O)cc(C=O)c(C=O)c2O1 2356822421 FVJBNPDJEOVNCI-QHCPKHFHSA-N 368.473 5.654 0 1 FKAF CC(=O)N[C@H](c1ccccc1)c1nc(-c2ccc3ccccc3c2)cs1 61895605 LEUHOEQBGCJVTF-OAQYLSRUSA-N 358.466 5.189 0 3 FKAF CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)NC1CCCC1 775613 PAQGFMMPQGNVHI-UHFFFAOYSA-N 364.848 5.104 0 1 FKAF CCCCCCc1ccc(-c2cc(=O)c3cc(C(=O)O)ccc3o2)cc1 27076219 WIFDTMIXLQLAEN-UHFFFAOYSA-N 350.414 5.281 0 1 FKAF O=c1[nH]c2ccccc2c2c1c(-c1ccccc1)nn2-c1ccc(Cl)cc1 29412701 NRPCMDOBPNVFJY-UHFFFAOYSA-N 371.827 5.187 0 1 FKAF O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3cccc(Cl)c3)c12 38318461 GGECIWNDINAHSK-UHFFFAOYSA-N 366.756 5.303 0 1 FKAF CCCC(CCC)C(=O)O[C@@H](Cn1ccnc1)c1ccc2ccccc2c1 49071496 UELLYDDCZGLDBP-QFIPXVFZSA-N 364.489 5.537 0 1 FKAF COCCn1c(-c2ccc(C(C)C)cc2)nc2c(Cl)ccc(OC)c21 58582865 NLHSJSORPMHZAS-UHFFFAOYSA-N 358.869 5.135 0 1 FKAF O=C(O)c1ccc(C(=O)Nc2cc3c4c(c2)CCCCC4CCCC3)cc1 59027315 AEPXWQPETSSUOU-UHFFFAOYSA-N 363.457 5.174 0 1 FKAF Oc1c(Cl)c(Cl)c(Cl)c2c1[nH]c1c(Cl)cc(Cl)cc12 66156914 AEMWOCRPUWTJCH-UHFFFAOYSA-N 355.435 6.294 0 1 FKAF in-vitro OC1=C2C(=Nc3ccnn3[C@@H]2c2ccc(Cl)c(C(F)(F)F)c2)CCC1 100914072 ZZBRCHCUZICPAN-MRXNPFEDSA-N 367.758 5.227 0 1 FKAF COC(=O)C(C)(C)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2O)C1 118929903 XZYHUDBBIOJHPZ-DPJIWMIASA-N 374.565 5.126 0 1 FKAF biogenic COC(=O)C[C@H](C)CCC/C(C)=C/CCc1coc(Cc2ccco2)c1 238756472 LLSOQDIXKJXJRD-SMHZUEHJSA-N 358.478 5.712 0 1 FKAF FC(F)(F)Oc1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Cl 586882751 AZDVFPWXJFMLLO-NOTQWWDFSA-N 370.802 5.583 0 1 FKAF CCCC(Br)(CCC)c1nc2ccc(Br)cc2[nH]1 586971879 ZXOJOGQSXXENPV-UHFFFAOYSA-N 374.120 5.516 0 1 FKAF CC(C)Oc1ccc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2c1 587241704 HMYYBIJYFORUSX-UHFFFAOYSA-N 351.450 5.002 0 1 FKAF CC(C)[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347560 BKYIQVKBMGPGQE-PDXHDDNESA-N 354.421 5.085 0 1 FKAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]c2c(Cl)cccc12 587502125 TUDVPQNVAQLDKA-LJQANCHMSA-N 365.860 5.715 0 1 FKAF O=C1C[C@@H](c2ccn(Cc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587515716 PAIBGCLEIAXXLH-QHCPKHFHSA-N 357.453 5.122 0 1 FKAF CCOc1ccc([C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525771 RXQMOCDOUJJRIT-XMMPIXPASA-N 362.469 5.235 0 1 FKAF O=C1C[C@]2(CCCC[C@@H]2C2CCCCC2)Oc2c1ccc1c2CCCC1 587527371 UOEAVCYNQXVWNY-QPPBQGQZSA-N 352.518 6.040 0 1 FKAF CC(C)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602761 YPIDERQBNVKAPL-XUZZJYLKSA-N 374.436 5.295 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2CCC2)N1 587820991 SBYRZNNLRSPILG-RBZFPXEDSA-N 374.297 5.166 0 1 FKAF COc1cccc([C@H](C)Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587930514 JDWJGGWILRMVNE-SNVBAGLBSA-N 368.786 5.590 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(Br)cc2[nH]1 587951150 SEIIVBKMYSKKCK-RBOXIYTFSA-N 351.288 5.372 0 1 FKAF Cc1ccc([C@@]2(CCc3ccc(C)c(C)c3)NCCc3ccc(O)cc32)cc1 963354966 ZRDKBZXJHYBJSA-AREMUKBSSA-N 371.524 5.340 0 1 FKAF NCc1cc(Oc2cccc(Oc3ccccc3)c2)nc(C(F)(F)F)c1 1772606609 TYKKVMXTDTXEFH-UHFFFAOYSA-N 360.335 5.144 0 1 FKAF Cc1ccccc1-c1c([C@@H](OC(C)(C)C)C(=O)O)c(C)nc2ccccc12 1857654799 PZZKUMAYWLWVSB-OAQYLSRUSA-N 363.457 5.459 0 1 FKAF CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)O[C@]3(OC)CC[C@]21C)C(C)C 2356473697 NXGGSWGPPXFCIU-VIIJJNEOSA-N 360.538 5.513 0 1 FKAF CC(C=CC(=O)NCC(=O)O)=C[C@@H](C)C[C@H](C)CC(C)=CCCC(C)C 2356556620 IDHWXSORJXHAOU-WOJBJXKFSA-N 363.542 5.125 0 1 FKAF Fc1ccc(-c2ncn(CCCOc3ccccc3)c2-c2ccncc2)cc1 3815713 PGUXJVJYJAXTTL-UHFFFAOYSA-N 373.431 5.220 0 1 FKAF Clc1cc(Cl)cc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)c1 8536617 BWYOYQVVRUBVGY-UHFFFAOYSA-N 366.251 6.113 0 1 FKAF Cn1c2c(c3ccccc31)CN(CCCOc1ccc3ccccc3c1)CC2 13476838 LDJTXQYJKDLGCG-UHFFFAOYSA-N 370.496 5.159 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cccnc1 13509697 MXMFCEUTOXUVHB-CVGDDBFFSA-N 351.534 5.489 0 1 FKAF CC(=O)OC1=C(c2ccc(Cl)cc2)Sc2ccccc2-n2cccc21 13603868 QPLIUHBKNKNSRD-UHFFFAOYSA-N 367.857 5.625 0 1 FKAF CC1(C)CCC(C)(C)c2cc(Nc3ccc4cc(C(=O)O)ccc4c3)ccc21 13815342 APVJFPPFKHOIOJ-UHFFFAOYSA-N 373.496 6.631 0 1 FKAF CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cccc(Cl)c32)CC1(C)C 22938073 CRLRIFICOHQHTR-AZUAARDMSA-N 372.915 5.082 0 1 FKAF CCCCCC[C@H](c1ccccc1)N1CC[C@H]1[C@H](N)c1cccc(Cl)c1 22941646 PYVYQSFRPHLGSU-XPWALMASSA-N 370.968 6.126 0 1 FKAF CCc1ccc(C[C@@](C)(Oc2ccc(Cc3ccccc3)cc2)C(=O)O)cc1 27526625 MZRZMRWTCSDTCN-RUZDIDTESA-N 374.480 5.305 0 1 FKAF Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)[C@H](O)C2(C)C 38214969 VWTXAIVZMCQYKU-HXUWFJFHSA-N 368.908 5.639 0 1 FKAF CCCn1c(C)c(C(=O)c2ccc(CC)c3ccccc23)c2ccccc21 43011585 DGMWDWZKLFRCMQ-UHFFFAOYSA-N 355.481 6.306 0 1 FKAF CCO[C@H](c1cc(Cl)cc(Cl)c1)[C@@H](SC(C)(C)C)n1ccnc1 45357646 TXBNGJUWIZRYNB-HZPDHXFCSA-N 373.349 5.998 0 1 FKAF CCCCc1cc(Cl)c(O)c(-c2cc(CCCC)cc(Cl)c2O)c1 73298111 YYROXGLCTWEHAG-UHFFFAOYSA-N 367.316 6.757 0 1 FKAF Cc1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3nc(C)ccc23)c1 73310998 ILTCCUUQXNEQQM-UHFFFAOYSA-N 374.469 5.242 0 1 FKAF CSc1ccc(/C=C2\C=C(C(C)(C)C(=O)O)c3cc(F)ccc32)cc1 84712806 OHYCSAHYNNSWNY-GXDHUFHOSA-N 354.446 5.596 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cncc(C#N)c1 141039395 FAWUJMXIRQWART-ABVATSDPSA-N 374.528 5.270 0 1 FKAF CSc1cccc(NC(=O)N[C@H]2CC[C@@H](Oc3ccc(F)cc3)CC2)c1 164945152 CJBXTXGUKAQNNA-RZDIXWSQSA-N 374.481 5.059 0 1 FKAF CCSCCCCN[C@H](CC(C)C)C1(c2ccc(Cl)cc2)CCC1 219110530 RRPTVDCSIRLPCO-HXUWFJFHSA-N 368.030 6.299 0 1 FKAF C/C(=C\Cc1cc(C(=O)O)ccc1O)CC[C@]1(C)[C@@H](C)CCC(=O)[C@H]1C 238740575 XTHUWDOULQJWNT-QFFPBTJQSA-N 358.478 5.001 0 1 FKAF O=C1c2ccccc2-c2cc(CCCC(F)(F)F)nc3ccc(O)c1c23 586986444 MFMBRNNECIOUGD-UHFFFAOYSA-N 357.331 5.037 0 1 FKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4ccc(F)cc4[nH]3)c2)c1 587050429 QBTILCAVLGLDCO-UHFFFAOYSA-N 350.780 5.502 0 1 FKAF Cc1cc(F)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 587051666 RPFMMONRDMSSKP-UHFFFAOYSA-N 361.203 6.244 0 1 FKAF FC(F)(F)Sc1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587080241 LKMMTJWAPPRIBI-CQSZACIVSA-N 370.783 5.504 0 1 FKAF COc1cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2cc1Cl 587163488 JWOCCBAVUMMPSC-UHFFFAOYSA-N 358.825 5.760 0 1 FKAF CC(C)[C@H](c1nc2ccc3c(c2[nH]1)CCCC3)N(C)C(=O)OC(C)(C)C 587198008 RFVIQKRHWXIBRN-GOSISDBHSA-N 357.498 5.006 0 1 FKAF COc1cccc(-c2c(C(C)C)c(C(C)=O)nc3c2oc2ccccc23)c1 587365381 KCVRZZMNXRMEKV-UHFFFAOYSA-N 359.425 5.983 0 1 FKAF CSC(C)(C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370521 XRWBXUVYKCHMTG-RXVVDRJESA-N 374.477 5.181 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)s1)CC2=O 587463414 ABDVNANGKDRTGL-ZDUSSCGKSA-N 356.365 5.132 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cnc(C3CCCC3)s1)CC2=O 587493351 FFMLOWMGHOLCSL-KRWDZBQOSA-N 357.475 5.165 0 1 FKAF O=C1C[C@H](c2ccc(N3CCCCC3)s2)Oc2c1ccc1c2CCCC1 587532319 PLKXUUVEWBHPHW-LJQANCHMSA-N 367.514 5.324 0 1 FKAF CC[C@@]1(CCCC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598583 BRBJVWBVOLESJY-KNQAVFIVSA-N 354.446 5.329 0 1 FKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1CCCCC1 587628509 UNAINLSOJUPQGK-UHFFFAOYSA-N 350.306 5.504 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)s2)N1 587845796 FUGBFYMWAOBLSB-AYVTZFPOSA-N 374.706 5.101 0 1 FKAF CCCC/C=C\c1nc2cc(Br)c(Br)cc2[nH]1 587965292 JIIWSTUFDNNKAD-WAYWQWQTSA-N 358.077 5.291 0 1 FKAF CCn1ccc2c([C@H]3c4cccc(Br)c4CCN3C)cccc21 963278399 AVWMYGBLGAAHLB-HXUWFJFHSA-N 369.306 5.001 0 1 FKAF O=C(c1ccc(-c2ccc3[nH]ccc3c2)s1)c1cc(F)c(F)c(O)c1F 1857771080 PDZDSJHULKVPPZ-UHFFFAOYSA-N 373.355 5.250 0 1 FKAF C[C@]12CC[C@H](Cc3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC[C@@H]12 2356315831 UYEUVWXDRDBSDY-HTQRCUPRSA-N 350.590 7.278 0 1 FKAF COc1ccc(-c2ccc3oc(-c4ccsc4)cc(=O)c3c2)cc1F 61948129 ONJLJUCXGWKQII-UHFFFAOYSA-N 352.386 5.336 0 3 FKAF COc1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1OC 1639097 FUBWRZWRIHSYTF-UHFFFAOYSA-N 363.442 5.119 0 1 FKAF CCC[C@@H](C)n1c(CC)nc2c(-c3cc(C)c(OC)cc3C)ccnc21 13479612 HOZZYHKZUPKELP-MRXNPFEDSA-N 351.494 5.647 0 1 FKAF O=C1c2c(O)cccc2C(=CCCCCc2ccccc2)c2cccc(O)c21 27332425 WWNAGCHXAYZPKD-UHFFFAOYSA-N 370.448 5.487 0 1 FKAF CCCCCC[C@H](O)C/C=C\CCCCCCCc1cc(O)cc(O)c1 28972200 QKJHTDPOTJRZOH-DGDFFNOKSA-N 362.554 6.259 0 1 FKAF CC(C)(C)c1cc(-c2nc3cc(C(=O)O)ccc3[nH]2)c(O)c(C(C)(C)C)c1 29326539 WWTGUMYQGRAOJP-UHFFFAOYSA-N 366.461 5.229 0 1 FKAF CCc1ccc(Sc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1 34045161 VBIMRSFMRWSBEL-UHFFFAOYSA-N 373.481 5.042 0 1 FKAF O=C(N[C@H](c1ccccc1)[C@H]1CCCC=C1c1ccccc1)C(F)(F)F 36381927 MIEXQAFUMNDJOH-RBUKOAKNSA-N 359.391 5.290 0 1 FKAF COc1cc(OC)c2c(C)[n+](-c3ccc(C(C)(C)C)cc3)c(C)cc2c1 40420709 LRLTYUZBIKONSE-UHFFFAOYSA-N 350.482 5.048 0 1 FKAF COc1cncc(-c2cncc(-c3ccc(Oc4ccccc4)cc3)n2)c1 45320187 VEDWCIAUGYIJLS-UHFFFAOYSA-N 355.397 5.007 0 1 FKAF CCO[C@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1cnc(C)c1C 45366473 AWDICAUUCMTSSA-QZTJIDSGSA-N 366.958 5.961 0 1 FKAF Clc1ccc2c(NCCNCc3cccc4ccccc34)ccnc2c1 64447627 GBLKQUNRPOMLBY-UHFFFAOYSA-N 361.876 5.243 0 1 FKAF Cc1ccc([C@]2(N3CCCC3)OC(C)(C)c3cccc4cccc2c34)cc1 73351330 RGTNXPYETOQWBX-VWLOTQADSA-N 357.497 5.710 0 1 FKAF Fc1ccc(F)c(CNc2cc(Oc3cccc4ccccc34)ncn2)c1 82067591 JETHEOGGSPMPKC-UHFFFAOYSA-N 363.367 5.312 0 1 FKAF COc1ccc(-c2nnc3ccc(-c4cccc(C(C)C)c4)cn23)cc1OC 82082289 WEGITEKALFVLHV-UHFFFAOYSA-N 373.456 5.204 0 1 FKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 84653314 VKNPNFFVRYOJAD-LJQANCHMSA-N 368.889 5.581 0 1 FKAF CCC(C)(CC)c1ccc([C@H](CN)c2ccc(-c3ccccc3)cc2)cc1 84738906 PVRAYXPMCFXDCA-RUZDIDTESA-N 357.541 6.522 0 1 FKAF CCCCn1cc(C(=O)c2cccc3ccccc23)c2cccc(OC)c21 96905994 VYSXHDSWRSDRDQ-UHFFFAOYSA-N 357.453 5.834 0 1 FKAF Cc1cc(C)c(Oc2cc(Nc3ccc(F)cc3)nc3ccnn23)c(C)c1 169308822 IHCQZPYYNKRRNE-UHFFFAOYSA-N 362.408 5.330 0 1 FKAF CCCCCc1cc(OC)c([C@@H]2[C@H]3CC[C@@](C)([C@@H]2O)C3(C)C)c(OC)c1 198457329 QLWFTMSARKCILR-MEEMXUNPSA-N 360.538 5.337 0 1 FKAF O=C(O)CCCCCCCCCCC[C@H]1C[C@@H]2[C@@H]1[C@@H]1[C@H]3[C@H]([C@H]4CC[C@H]43)[C@@H]21 231930530 ZPDCFDULRXOVLT-XVDDUQMPSA-N 358.566 6.146 0 1 FKAF OCc1ccccc1-c1cccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 586894970 ITLDROXZAKLBHG-UHFFFAOYSA-N 369.251 5.696 0 1 FKAF Oc1ccc(-c2ccccc2-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 586899501 YYBUDMBGTJFCHV-UHFFFAOYSA-N 356.759 5.534 0 1 FKAF Cc1ccc2c3c(c4c(nc13)-c1c(F)ccc(F)c1C4)-c1ccccc1C2=O 586998265 ZJYBIALJJRQYTE-UHFFFAOYSA-N 369.370 5.604 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Cl)ccc4[nH]3)c21 587031116 OPMCPEOQTFHEOK-GFCCVEGCSA-N 367.905 6.175 0 1 FKAF Cc1ccc2c(ccc3nc([C@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c32)n1 587048360 HOLSHFMCRRCMCA-OLZOCXBDSA-N 368.267 5.997 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 587086790 FUEDAZGXMNWEEB-UHFFFAOYSA-N 353.706 5.523 0 1 FKAF Cc1ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2c1C 587246568 CJHYVNUBLUSGDY-UHFFFAOYSA-N 357.457 5.594 0 1 FKAF CC1=CC[C@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587349487 CBCMARNFSYMGIQ-POCHDABASA-N 366.432 5.395 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3C)o1)CC2=O 587485414 VJOWDPLRPLAKRC-QFIPXVFZSA-N 362.425 5.620 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3sc(C=O)cc3s1)CC2=O 587492764 BYFCYJUPPDBAIC-OAHLLOKOSA-N 372.467 5.140 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccsc3)nc1)CC2=O 587497317 VJPSKGFWEHSDCC-FQEVSTJZSA-N 365.454 5.175 0 1 FKAF CC(C)(C)[C@@]1(c2cc3ccccc3o2)CC(=O)c2ccc3c(c2O1)CCCC3 587532757 NSRSFZVXKILMHO-VWLOTQADSA-N 374.480 6.218 0 1 FKAF Cc1cc(C)cc(OCc2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587564614 MPAYRFMJECRBFF-UHFFFAOYSA-N 358.441 5.338 0 1 FKAF Cc1cc(-c2[nH]c3c(C)cc(Cl)cc3c2N2CCCCC2)cc(C)c1O 587627467 XRDSSZNOIVRZCO-UHFFFAOYSA-N 368.908 6.109 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(COC/C=C/c3ccccc3)nc2c1 587780850 KGGRGZGEKUMWDZ-QPJJXVBHSA-N 366.770 5.465 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@H]2c2ccccc2)N1 587816134 URDKEYGAZHQLET-QMORNJKRSA-N 374.297 5.141 0 1 FKAF C[C@H]1CC[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587816794 DJFZZHCZXBZJJG-MRRFBWAASA-N 374.297 5.263 0 1 FKAF CC(C)C/C=C(\C(C)C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587818243 HAIKOJYFLCTOGE-WSRFKFTHSA-N 368.334 5.792 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C)CCCCCC2)N1 587818280 HKROFQVEMFBANL-SJKOYZFVSA-N 354.307 5.524 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCc3ccccc32)N1 587819182 HGFLOBNINTZHAB-ADYAMRHXSA-N 374.297 5.284 0 1 FKAF Cc1cc(C)cc(C[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587820739 QMOWKOYHDLWXSV-YJYMSZOUSA-N 362.286 5.023 0 1 FKAF CCCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587820754 QTDWRYZUPKZVFJ-BUXKBTBVSA-N 362.286 5.164 0 1 FKAF C(=C\c1ccccc1Oc1ccccc1)\c1nc2cc3c(cc2[nH]1)OCCO3 587951180 XIZXUASYOBPOHG-KHPPLWFESA-N 370.408 5.297 0 1 FKAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1ccc(F)c2ccoc12 962701395 GLIICYGLRSEJEK-ZUOKHONESA-N 371.452 5.164 0 1 FKAF Clc1ccc2c(c1)[C@@]1(CC2)c2ccsc2CCN1Cc1cccnc1 962998860 WOKIWTSZMINHNL-OAQYLSRUSA-N 366.917 5.045 0 1 FKAF C[C@]1(c2nnc(-c3ccccc3)o2)CC(c2c(Cl)cccc2Cl)=NO1 12726943 LQXNQIRECOXQDP-GOSISDBHSA-N 374.227 5.083 0 3 FKAF CC(=O)N[C@H](c1cccc(F)c1)c1nc(-c2cccc(C(C)C)c2)cs1 61927608 IZVQEDSMQVUHMF-HXUWFJFHSA-N 368.477 5.298 0 3 FKAF CCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 13140036 NSMKWGGRWAFJDI-OVOMFJRRSA-N 360.501 5.123 0 1 FKAF O=C(Nc1ccccc1Cl)C1[C@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 13151831 IZWQCYGTDFVOLL-NNYUYHANSA-N 358.696 5.135 0 1 FKAF O=C(Oc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1)c1ccccc1 28525233 OPOWUWMPTODYKO-UHFFFAOYSA-N 374.465 5.161 0 1 FKAF CCCCCc1cc(O)c2c(c1)O[C@](C)(CNCC)[C@@H]1CC=C(C)C[C@H]21 29240294 QJMMJXMZDSBPMX-YCRNBWNJSA-N 357.538 5.325 0 1 FKAF Cc1cccnc1-c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 38156654 MKXNDOBTTLYFNU-UHFFFAOYSA-N 356.347 5.328 0 1 FKAF CC(C)(C)c1ccc(-n2c(=S)oc3cc(Cl)ccc3c2=S)cc1 64573058 MKTPFPLSBMYWJO-UHFFFAOYSA-N 361.919 6.633 0 1 FKAF Oc1ccc(/C(=C(/F)c2cccc(C(F)(F)F)c2)c2ccccc2)cc1 96903471 XJOUGYUNFQGCQZ-FMQUCBEESA-N 358.334 6.297 0 1 FKAF CCCCCc1cc(OC)c([C@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)c(OC)c1 117486797 MBNXYBLSXLVBFB-ICPLQIHGSA-N 358.522 5.545 0 1 FKAF COc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](N1CCCC1)CC2 199682859 FTDOGARXMALEGF-FCHUYYIVSA-N 355.909 5.086 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CCCC[C@@H]31 586992210 ZQAYMMMYQIFJFB-UONOGXRCSA-N 355.437 5.372 0 1 FKAF CCc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)cs2)cc1 587016024 NNFUGPJSGWPXIV-UHFFFAOYSA-N 374.391 5.330 0 1 FKAF COc1ccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(Cl)n1 587083695 GSHQFEGQRHBDLF-UHFFFAOYSA-N 351.793 5.079 0 1 FKAF FC(F)(F)[C@](F)(Cl)c1nc2cccc(OCc3ccccc3)c2[nH]1 587089429 DALPAQWZPLAXIM-HNNXBMFYSA-N 358.722 5.065 0 1 FKAF Cc1ccc([C@H]2Cc3nc4c(C)ccc5c4c(c32)-c2ccccc2C5=O)cc1 587100412 JFZAGQGYQIIOKS-HXUWFJFHSA-N 361.444 5.751 0 1 FKAF CC/C=C/CCCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587101405 SRQWQSJTCMZMDM-SNAWJCMRSA-N 369.508 6.824 0 1 FKAF Cc1c(F)cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1F 587133254 QWLHYAXKKCFWRA-UHFFFAOYSA-N 350.368 5.396 0 1 FKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cccc(F)c3[nH]2)cc1F 587150124 KNFVSJZFRLLRCL-LJQANCHMSA-N 354.331 5.149 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](Cc1ccccc1)C3 587207558 NJUFJJUPXSGSMM-QGZVFWFLSA-N 361.444 5.404 0 1 FKAF CCCCc1c(-c2ccc(Br)cc2)nc2cccc3c2c1CC3 587207976 JQLFSLCKHVXIFE-UHFFFAOYSA-N 366.302 6.106 0 1 FKAF CC1=CC[C@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587349493 CBCMARNFSYMGIQ-YROCYRMSSA-N 366.432 5.395 0 1 FKAF C[C@]1([C@H]2C[C@H]3CC[C@H]2C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357481 UMTBLFHGFCGMSR-WIABTZJISA-N 366.432 5.085 0 1 FKAF COc1cccc(-c2c(C)c(C3CCCC3)nc3c2oc2ccccc23)c1 587364492 BSWZNEFFJCYFLF-UHFFFAOYSA-N 357.453 6.623 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C(C)C)CC3)c1 587365918 JOQPSFUFDMAQBU-MRXNPFEDSA-N 371.480 6.418 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1C1=CCCCC1)CC2=O 587484577 STFILRIGPVERGL-XXBNENTESA-N 354.490 5.739 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cccs3)c1)CC2=O 587495215 PTTIRTBUOTZQTO-HXUWFJFHSA-N 364.466 5.780 0 1 FKAF CCCOc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587523048 MQSXDVKDMYNCJH-QHCPKHFHSA-N 350.458 5.235 0 1 FKAF CN(C)Cc1c(-c2cccc3ccccc23)[nH]c2ccc(F)c(Cl)c12 587630850 RCPBZLHQXHGOBN-UHFFFAOYSA-N 352.840 5.842 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Cl)cc2)N1 587695691 CPEYRVXPIMZTIA-DYZYQPBXSA-N 368.677 5.039 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(Cl)c2)N1 587720158 RJULBNHCZJJCLM-VPTHRUTESA-N 372.640 5.004 0 1 FKAF CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=C(C)C)CC1 587816778 DBPUQUIRKXRXCX-DJJJIMSYSA-N 364.302 5.394 0 1 FKAF CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@@]1(C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587828746 PPESQVLLZOYVTP-RONFAVLGSA-N 366.318 5.020 0 1 FKAF COc1cc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2cc1Cl 587950977 HUSFMHYZDWOMJS-LBPRGKRZSA-N 352.821 5.518 0 1 FKAF CCC[C@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(C)C 587955268 MGKXYEXPUKXIKW-JTQLQIEISA-N 352.322 6.140 0 1 FKAF Clc1ccc(Nc2nnc(-c3ccccc3Cl)s2)cc1Cl 653744941 GIJMTUACOHLGFT-UHFFFAOYSA-N 356.665 5.909 0 1 FKAF Clc1ccc(Cn2c(C[C@H]3C[C@H]4CC[C@H]3C4)nc3ccccc32)cc1 1857554763 UHIJKWQUNGTSDB-OKZBNKHCSA-N 350.893 5.717 0 1 FKAF CCO[P@](=O)(CC)c1ccc2nc(-c3ccc4ccccc4c3)oc2c1 1911570574 NMMMEXDIWFMKQS-AREMUKBSSA-N 365.369 5.608 0 1 FKAF CN1C[C@@H]2[C@H](c3ccccc3)C3(c4ccccc4)CC2(C3)[C@H]1c1ccccc1 13812894 GCILWQXCVMXYDE-ILQJIGPNSA-N 365.520 5.805 0 3 FKAF Cn1c(-c2ccsc2)c(-c2cccs2)c2cc(Br)ccc21 36388831 VKZIWUNBVHGINK-UHFFFAOYSA-N 374.328 6.398 0 3 FKAF CC(=O)O[C@H](/C=C(\C)CCC=C(C)C)Cc1cocc2c(C=O)ccc1-2 15266809 OHTVVNDAIHLKNH-NXZBIGBUSA-N 354.446 5.364 0 1 FKAF CCCCNC(=O)OCCCCCCCCCCCCCCCCO 28365930 NEYYKHKOTOKFFG-UHFFFAOYSA-N 357.579 5.966 0 1 FKAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1C=C[C@@]2(O)c1ccccc1 29394647 PRCGTYKZJAVITA-NHTNDUFYSA-N 360.497 5.215 0 1 FKAF CC(C)Oc1ccccc1OCCNCc1cccc(C2=CCCC2)c1 35259219 VSFLBLRRRAGBMV-UHFFFAOYSA-N 351.490 5.210 0 1 FKAF O=C(Nc1ccccc1)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1 40954057 BYHRCYHAGIKRAI-UHFFFAOYSA-N 365.432 6.632 0 1 FKAF CC(=O)C[C@H](C)CCc1ccc(Oc2ccc(OCC3CC3)nc2)cc1 96167516 HNUKSZHVOZJOCP-MRXNPFEDSA-N 353.462 5.211 0 1 FKAF CCC/C=C/CSC[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101382289 QXBFRDGMYMBQMJ-LFEZYWSYSA-N 352.540 5.071 0 1 FKAF CS(=O)(=O)c1ccc(/C=C(\c2ccccc2)c2ccc(Cl)cc2)cc1 103184275 BLIMAHXYOZZLTM-RCCKNPSSSA-N 368.885 5.332 0 1 FKAF CCc1ncc(Cc2ccc3nc(C)ccc3c2)c2cc(OC)c(OC)cc12 145137991 XPEPUBCCEPGWKK-UHFFFAOYSA-N 372.468 5.262 0 1 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCNC 299836555 NOTVICQSYDNOKG-JEBPEJKESA-N 372.597 5.634 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 586882054 SASQODKVSQWXPR-UHFFFAOYSA-N 366.814 6.590 0 1 FKAF COc1ccc(C=O)c2cc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)oc12 586903727 LXEGDTZINMYJIL-UHFFFAOYSA-N 361.184 5.104 0 1 FKAF Cc1cc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2cc1C 587017746 OSRJBKAOIISZPY-UHFFFAOYSA-N 371.469 5.017 0 1 FKAF CC(C)(C)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048629 IXDNHPAJQPBSPI-STQMWFEESA-N 359.300 6.438 0 1 FKAF Cc1cc(C)c2[nH]c(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc2c1 587050317 OGUHGZKPGZUNNP-UHFFFAOYSA-N 360.844 5.980 0 1 FKAF Cc1ccc(-c2ccc(-c3nc4c(Cl)ncnc4[nH]3)c(Cl)c2)cc1F 587144743 CVRVTIJOXUOKKA-UHFFFAOYSA-N 373.218 5.441 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587160756 GEKNBJHSNNWAML-GHMZBOCLSA-N 354.734 5.645 0 1 FKAF Cc1cc(C)c2[nH]c([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)nc2c1 587198099 UAJBYBKCDZKCHS-FQEVSTJZSA-N 365.477 5.145 0 1 FKAF COc1ccccc1Nc1ccccc1-c1nc2cc(Cl)cc(C)c2[nH]1 587241610 ZADOILMCXHGUIM-UHFFFAOYSA-N 363.848 5.944 0 1 FKAF CC[C@@]1(c2ccc(C(F)(F)F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 587383047 VCDJGEVXRKWKSU-SFHVURJKSA-N 367.342 5.006 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4C)cc1)[C@@H](C2)C3=O 587446015 RKOLHVGWDJPHLP-GBXCKJPGSA-N 356.421 5.159 0 1 FKAF CC(C)C1CCC([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587822263 JOGCTHYJTRAVPO-WGFJEIQISA-N 368.334 5.626 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(F)ccc1F 587864738 JZCFEQULBVWVKJ-UHFFFAOYSA-N 368.305 5.235 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(F)c(F)c3[nH]2)cc1 587938701 ZBOKSEUUHFCKQN-GOSISDBHSA-N 350.368 5.030 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 587958648 DMQANKHKMJKLCJ-UHFFFAOYSA-N 354.497 6.427 0 1 FKAF CC1(C)CCC(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 587962372 IFCQEJQGXMPMDU-UHFFFAOYSA-N 357.242 5.363 0 1 FKAF Clc1ccc([C@H]2CCCCC[C@]23NCCc2nc4ccccn4c23)cc1 962981022 COCWTRVQQNZIFL-GCJKJVERSA-N 365.908 5.077 0 1 FKAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc(F)c(C)c1C(F)(F)F 963259719 TXRLESUNNPEBBN-QGZVFWFLSA-N 373.777 5.050 0 1 FKAF Cc1occc1-c1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12 1857605019 HMRXMERZOYKBNP-UHFFFAOYSA-N 356.347 5.672 0 1 FKAF O=C(Nc1ncc(Cc2cccc3c2CCCC3)s1)C1CCCCC1 1857641931 ZXCKNVXYQZTGNX-UHFFFAOYSA-N 354.519 5.132 0 1 FKAF CCn1c2ccccc2c2cc([C@@H](O)c3ccc(C)c4ccccc34)ccc21 1857655186 WWVXNRZZDMWJNK-AREMUKBSSA-N 365.476 6.358 0 1 FKAF c1ccc(-c2cn(-c3ccc(-c4cc5ccccc5s4)cc3)nn2)cc1 1857751636 IISXTGOXMPDGCF-UHFFFAOYSA-N 353.450 5.816 0 1 FKAF CC(=CCc1c(O)cc(C)c(C=O)c1O)CC[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C 2356561714 JSPPDMSCDGJJOM-SAHWJRBASA-N 372.505 5.129 0 1 FKAF CC(=O)OCC(C)=CCC[C@]1(C)[C@@H](C(=O)O)CC2=CCCC(C)(C)[C@]21C 2356635868 MZJHIEFGBFMJBU-QIJUGHKUSA-N 362.510 5.140 0 1 FKAF C[C@@H](O)CCCC=CCC=CCCCCCCCc1cc(O)cc(O)c1 2356790592 FTDAHSABGDJTEP-HXUWFJFHSA-N 360.538 6.035 0 1 FKAF CCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1 2382256097 MQIIVYOAOLYJSB-UHFFFAOYSA-N 360.240 6.287 0 1 FKAF CC1(C)OC(=S)N(c2ccccc2)[C@]12C=Cc1cc3ccccc3cc1O2 5581818 FSEHWEMHYLMOFB-QHCPKHFHSA-N 373.477 5.542 0 1 FKAF CC(C)(C)c1ccc(/C=C/C(=S)Nc2ccc3c(c2)OCCO3)cc1 13606914 XXAJNKNWDIGHGD-IZZDOVSWSA-N 353.487 5.208 0 1 FKAF Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1/C=C/c1ccc(F)cc1 13813882 KARZZQYCNOKDPL-JLHYYAGUSA-N 370.423 6.386 0 1 FKAF aggregator CN(Cc1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)cc1 26396388 QCIDYYJIIKWRFK-UHFFFAOYSA-N 351.490 5.370 0 1 FKAF COc1ccc([C@H](c2c[nH]c3ccc(OC)cc23)N(C)c2ccccc2)cc1 71340300 IKZGFXSFCCKNRO-XMMPIXPASA-N 372.468 5.411 0 1 FKAF CC[C@H](C)Nc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2C)n1 82177591 JOCXYQCULHZJDN-ZDUSSCGKSA-N 352.507 5.403 0 1 FKAF CCCOc1ccc(-c2cc(O[C@H](C)CN(C)C)c3ccccc3n2)cc1 96271009 QFXVHAARSCTVDY-QGZVFWFLSA-N 364.489 5.020 0 1 FKAF CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cc2ccccc2o1 115764864 BEZIUNQNPVKLCW-UHFFFAOYSA-N 353.809 5.137 0 1 FKAF C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H]1CCC(=O)OC1 118937995 PXOHOSHERMSUCD-NIRKWIOJSA-N 358.566 5.989 0 1 FKAF biogenic Oc1c(Br)cc(/C=C/c2cccc(F)c2)cc1Br 139357278 BPOGEZFMRHUFRN-SNAWJCMRSA-N 372.031 5.227 0 1 FKAF CCCCN(CCCC)C(=O)c1ccccc1-c1ccc2c(c1)OCO2 169349625 IEICEJJHYFWOJD-UHFFFAOYSA-N 353.462 5.125 0 1 FKAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc([C@@H]4CCCOC4)cc3)cc12 219338634 GLPRQXFGPZJPIM-CQSZACIVSA-N 355.821 5.081 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@]2(C)[C@H](OC(=O)/C=C\c2ccc(O)cc2)[C@@H]13 238780669 PQZMZRVBJLKEFN-ZZRDVBDYSA-N 368.517 5.436 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(O)c3)cc(-c3ccccc3O)n2)cc1 299824706 BNMSTMADLQBBOV-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF Clc1cccc(/C=C\c2nc3cncc(Br)c3[nH]2)c1Cl 587054243 NMVPCENTILXUJY-PLNGDYQASA-N 369.049 5.198 0 1 FKAF Fc1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587124456 XQVDRQHTBSNATD-UHFFFAOYSA-N 356.344 5.034 0 1 FKAF FC(F)(F)c1cccc([C@H]2CCc3nc4cccc5c4c(c3C2)CC5)c1 587210207 JTHMDHSKMKUMTE-HNNXBMFYSA-N 353.387 5.625 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(C=O)sc3s1)CC2=O 587493809 GSVILMWCMJXJDC-MRXNPFEDSA-N 372.467 5.140 0 1 FKAF Cc1cccc2c3c([nH]c12)[C@@]1(CC3)CC(=O)c2ccc3c(c2O1)CCCC3 587523155 HCTMJUCSCPUELH-XMMPIXPASA-N 357.453 5.162 0 1 FKAF COc1ccc([C@H](C)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524227 KPTWLFGVLGTNCP-NPMXOYFQSA-N 350.458 5.102 0 1 FKAF c1ccc(COCCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587566539 RVXTXTXRCKFOMD-UHFFFAOYSA-N 360.482 5.473 0 1 FKAF CC1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCCC1 587604429 WPFNZDHDHRYXGW-PGRDOPGGSA-N 352.430 5.083 0 1 FKAF O=C(O)c1cc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccccc2)c[nH]1 587632796 QJZDOSVTLIXHOF-UHFFFAOYSA-N 354.768 5.321 0 1 FKAF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 587696031 PBJLCXUDIPGQCL-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF C[C@@H](C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1 587817654 DHYIFFFDVXAZTO-AHIWAGSCSA-N 362.286 5.357 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(Br)c(O)c2[nH]1 587950817 NWUPXYYDXPMHIL-MJVIPROJSA-N 367.287 5.077 0 1 FKAF Fc1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1Br 587951539 NUKQODYNXSTKMJ-UHFFFAOYSA-N 361.214 5.063 0 1 FKAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](N(C)C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356585640 WWWDIYZWGZOIBA-OUTQORHZSA-N 371.565 5.001 0 1 FKAF Cc1cc(O)c([C@]2(C)CCC(=CBr)[C@@H]2C)cc1Br 2356603569 DVSNCQPMSPUOAI-ZUZCIYMTSA-N 374.116 5.430 0 1 FKAF COc1ccc2c(c1)-c1ccccc1O[C@H]2c1ccc(Br)cc1 2382231048 XYUFGCRBPFRIDQ-FQEVSTJZSA-N 367.242 5.607 0 1 FKAF CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(F)c1 13441078 OAPBVRLGTINYTD-UHFFFAOYSA-N 357.513 6.360 0 1 FKAF C/C(=C\CO)CC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 15253718 QVAALZYWZYXTTP-HLOVIFQNSA-N 364.658 8.091 0 1 FKAF endogenous,in-man COc1cc2cc(CN[C@H](C)c3cccc4ccccc34)[nH]c2cc1OC 27074872 QVBIXIVQVGEXLP-OAHLLOKOSA-N 360.457 5.189 0 1 FKAF CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)c3cccs3)cc1OC2(C)C 42887996 HBOZOOYIOXJZFX-IAGOWNOFSA-N 368.542 6.391 0 1 FKAF O=C(c1cc(Br)c2cccccc1-2)C(Cl)(Cl)Cl 68589376 ZEOIRMNJYUCZJN-UHFFFAOYSA-N 352.442 5.107 0 1 FKAF biogenic CC1(C)COC(c2cccc(Nc3ccnc4cc(Cl)ccc34)c2)=N1 72176345 ZBOCYNAKBUALOF-UHFFFAOYSA-N 351.837 5.187 0 1 FKAF CCCC[C@H](C)[C@@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(C)[C@H](O)C3)CCC[C@]12C 96142495 MGADROAPTBMHLU-DDNZRBGLSA-N 374.609 6.034 0 1 FKAF CCCCC[C@@H]1Cc2c(cc3c(c2O)C2=C(CC[C@H](C)C2)C(C)(C)O3)[C@@H]1C 169344329 OULDIDDGYPPUQU-GVDBMIGSSA-N 368.561 6.993 0 1 FKAF CC(=O)OCC1=CCC[C@@H]2[C@@](C)(CC[C@H](C)CCO)[C@H](C)CC[C@@]12C 238738630 SLGMGFKPPLEAAO-HFQQBTNDSA-N 350.543 5.127 0 1 FKAF O=C1O[C@](c2ccccc2)(C2CC2)CC(O)=C1Sc1ccccc1Cl 299819311 AVWMVLFGEVWOMN-HXUWFJFHSA-N 372.873 5.454 0 1 FKAF Nc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)s2)cc1 299831904 JGVXLYCACFYDNX-UHFFFAOYSA-N 372.453 5.119 0 1 FKAF N[C@H](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccccc1Cl 587055314 APHJUCGSDHRZJD-GFCCVEGCSA-N 374.193 5.131 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(N)ccnc2[nH]1 587072537 RTTXVAQSTDJHTG-UFNPXJETSA-N 373.287 5.213 0 1 FKAF Cc1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 587130897 ZJANKEKRGYZMKL-SSDOTTSWSA-N 360.742 5.206 0 1 FKAF FC(F)(F)c1c(Br)ccc2nc(C3(F)CCCCC3)[nH]c12 587132215 NCSZUQRMGBRZAA-UHFFFAOYSA-N 365.168 5.473 0 1 FKAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1F 587151673 IDABSWLRKQEWEW-RKDXNWHRSA-N 372.724 5.784 0 1 FKAF CC[C@H](Oc1ccccc1F)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587154253 AQJYBZLQKGEZDO-ZDUSSCGKSA-N 372.749 5.904 0 1 FKAF CCCOc1ccc2ccccc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587399735 LPRWZFSAANVOAM-OAQYLSRUSA-N 361.441 5.226 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(C)C)CC2=O 587486290 ZHJVKJZGYITOOH-OAQYLSRUSA-N 354.446 5.086 0 1 FKAF Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587600915 DAMOGAWRHAGSJW-REWPJTCUSA-N 360.409 5.020 0 1 FKAF CCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602624 KLXYFTSTGWFFSQ-URXFXBBRSA-N 374.436 5.440 0 1 FKAF Cc1cc(Cl)cc2c(NC(=O)OC(C)(C)C)c(C3CCOCC3)[nH]c12 587627032 MCLKJMGSJYSLLT-UHFFFAOYSA-N 364.873 5.371 0 1 FKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587928172 XEMNMGOEZPWCFJ-JTQLQIEISA-N 366.795 5.054 0 1 FKAF COc1ccc(OC(C)(C)C)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587944685 FXQPHKKUTOTSLX-SFHVURJKSA-N 371.452 5.628 0 1 FKAF C[C@]1(c2csc3ccccc23)c2ccsc2CCN1Cc1ccco1 962701765 DRFMCAXFDXMYGQ-OAQYLSRUSA-N 365.523 5.878 0 1 FKAF COc1cccc2cc3c(nc12)[C@@H](c1ccc(-c2ccc(C)cc2)o1)NCC3 963057161 MCMQREDZVPQDEC-XMMPIXPASA-N 370.452 5.047 0 1 FKAF CCCCC[C@]1(c2ccc(O)cc2)NCCc2c(OC)ccc(Cl)c21 963269262 HIDAGIFZSCEIGJ-OAQYLSRUSA-N 359.897 5.024 0 1 FKAF CN(C/C=C/c1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCCO2 1857536299 ABCBQCZCXAAXEY-AATRIKPKSA-N 371.480 5.270 0 1 FKAF Cc1cccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)nc3ccccc23)c1 1857770603 BRPBTWPQOKPEAB-NRFANRHFSA-N 363.457 5.459 0 1 FKAF CC1=C[C@H](CNC(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 2356311250 YKRVTFSBFKRAFD-ZCNNSNEGSA-N 353.554 5.266 0 1 FKAF CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3C[C@H](C)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356534640 OIHORBOMFNFQBP-LDZOIHJDSA-N 360.538 5.166 0 1 FKAF O=C(O)Cc1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CCC2 13737370 YHELUJCERLGVBD-UHFFFAOYSA-N 351.833 5.049 0 1 FKAF CCC[C@]1(CCCNC)Cc2ccccc2N(c2ccc(C)cc2)C1=O 13978116 YPBIYYFCLCGRRL-QHCPKHFHSA-N 350.506 5.002 0 1 FKAF c1ccc(SN2CCC3(CC2)O[C@@H](c2ccccc2)c2ccccc23)cc1 27732822 YPVMIBYQDWLJTO-QHCPKHFHSA-N 373.521 5.805 0 1 FKAF OCc1ccc2oc(N[C@@H](CC3CCCCC3)c3ccccc3)nc2c1 28009228 DAKZVKRRBHDDEB-IBGZPJMESA-N 350.462 5.444 0 1 FKAF CCC(CC)c1nc(Nc2ccc(Cl)c(Cl)c2)nc(NC(C)C)n1 28866591 FLDNBSAOBKFTRJ-UHFFFAOYSA-N 368.312 5.646 0 1 FKAF CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](C)S1 33825926 HDPKJWICBWVRGV-JYJNAYRXSA-N 374.590 7.120 0 1 FKAF COc1cc(/C=C/c2ccc(OC)c(OC)c2)c(CC=C(C)C)c(OC)c1 36378903 WNWGQWVUPZKNQQ-CSKARUKUSA-N 368.473 5.400 0 1 FKAF CC(C)c1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 66112794 WHUDRCRCHMQECG-UHFFFAOYSA-N 374.480 6.073 0 1 FKAF c1ccc(C(SC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc2)cc1 71295846 QRKFWYLBWNOMIM-FCHUYYIVSA-N 351.559 5.774 0 1 FKAF CCCCCNC(=O)[C@@H](Nc1nc(-c2cccc(C)c2)cs1)[C@@H](C)CC 82195238 OQJJZUWFSMLVGR-LPHOPBHVSA-N 373.566 5.252 0 1 FKAF CC(C)(C)c1ccc(-c2cccc3cc(-c4cccc(N)c4)ccc23)cc1 95602880 FWNXQSIXJYRMKB-UHFFFAOYSA-N 351.493 7.054 0 1 FKAF CCn1ccc2cc(-c3ccc4oc(NC5CCCCC5)nc4c3)ccc21 149275456 CUMDRSHEJCGNBD-UHFFFAOYSA-N 359.473 6.214 0 1 FKAF Cc1nc(N[C@H](C)c2cccc(O)c2)cc(-c2ccc3occ(C)c3c2)n1 205830192 YQIXVADSVYMXRW-CQSZACIVSA-N 359.429 5.385 0 1 FKAF CC1(C)C2=CC[C@H]3[C@H](CC[C@]4(C)[C@@H](OC5CC5)CC[C@H]34)[C@@]2(C)CC[C@@H]1O 253633442 MRAKBRVMYBYECZ-JULWXRBWSA-N 358.566 5.494 0 1 FKAF COc1cc(/C=C/c2ccc(CCC(=O)C(C)(C)C)cc2)cc(OC)c1 299833599 YUIOFRUXIVULPI-ZHACJKMWSA-N 352.474 5.422 0 1 FKAF Cc1cncc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c12 586983129 WBCYEKVQNAPZJY-HNNXBMFYSA-N 372.310 5.401 0 1 FKAF Cc1c(-c2cccc(Cl)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586992103 CZKZKKAWQFASJJ-UHFFFAOYSA-N 369.851 6.383 0 1 FKAF Cc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1F 586994688 CBBDYBCYJGPLRJ-UHFFFAOYSA-N 353.396 5.869 0 1 FKAF CC(C)(C)c1cccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587031997 DUNKSRGSNMKZJH-UHFFFAOYSA-N 361.514 5.868 0 1 FKAF Clc1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587062553 GNZHTXIBXUYFTE-UHFFFAOYSA-N 353.252 6.128 0 1 FKAF Clc1cnc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 587064668 LRIMUFZZKGKCDC-UHFFFAOYSA-N 360.200 5.104 0 1 FKAF CNc1cc(Cl)ccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587067422 ZKGGCYNDQDMWDD-UHFFFAOYSA-N 360.166 5.597 0 1 FKAF FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587089182 ZEHMHSHUUQHLDT-CYBMUJFWSA-N 355.388 5.105 0 1 FKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(N)c1C 587103271 DTCIXJQXMXIADC-UHFFFAOYSA-N 366.420 5.012 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C=C[C@@H](C(F)(F)F)C3 587103890 OEPMZCZSDDVQMV-LLVKDONJSA-N 351.327 5.194 0 1 FKAF FC(F)(F)c1nc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2[nH]1 587120196 BZYMVTXOFXZDKK-UHFFFAOYSA-N 371.149 5.432 0 1 FKAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(C)ccc(C)c2[nH]1 587121636 IRHFZOSMGKKWKU-UHFFFAOYSA-N 371.362 5.602 0 1 FKAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(F)c(F)cc3[nH]2)c1 587159770 XRDPDQTZLRZOKP-UHFFFAOYSA-N 368.358 5.247 0 1 FKAF CC(C)C[C@H](C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357892 WMBYXXHVYXLEQM-PNDGYVOYSA-N 370.464 5.721 0 1 FKAF CCCC[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587358930 YXHIWGXNPZYESA-IFMALSPDSA-N 356.437 5.475 0 1 FKAF C[C@]1([C@@H]2C[C@@H]2c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587506615 KZMKRLKZVJBXBM-TXTKFYIRSA-N 350.433 5.232 0 1 FKAF COc1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C 587526423 SSNCKJVOKCZNIW-OAQYLSRUSA-N 350.458 5.206 0 1 FKAF CC(C)c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603605 QBRGGYZDRVDKHY-NZQKXSOJSA-N 360.409 5.219 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c([C@@H](C)C(=O)O)c2c1 587642121 OTQIJMBGTJDWIS-QWHCGFSZSA-N 355.865 6.190 0 1 FKAF Cc1cc(Cl)cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587783564 CMUXCWVBQRCLNX-XFXZXTDPSA-N 374.871 6.274 0 1 FKAF Fc1ccc2c(c1)-c1cc(n(-c3nccc(-c4ccc(Cl)cc4)n3)n1)O2 587874184 RPHHMTBEPQTQQJ-UHFFFAOYSA-N 364.767 4.895 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587950799 CVLWVMWFFYKPLA-HSMVNMDESA-N 356.388 5.508 0 1 FKAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587950800 CVLWVMWFFYKPLA-MKBNYLNASA-N 356.388 5.508 0 1 FKAF COc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1C 587951414 ZPIOZCYQYWTHAS-SEYXRHQNSA-N 356.425 5.843 0 1 FKAF C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962657285 ALRBEGWHYYLYGY-GKVSMKOHSA-N 371.480 5.148 0 1 FKAF C[C@@H](c1cc(F)cc(F)c1)[C@H]1c2ccsc2CCN1Cc1ccco1 962717950 WASVXHZOWWXRMZ-RBZFPXEDSA-N 359.441 5.522 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccnc2-c2ccsc2)N1 962953173 KQDWFSPPMZXYBY-QVKFZJNVSA-N 359.498 5.305 0 1 FKAF Cc1nc(-c2ccc(F)cc2)oc1-c1csc(-c2ccc(Cl)cc2)n1 1772576900 YZFIXHGICYPFGU-UHFFFAOYSA-N 370.836 6.233 0 1 FKAF CCCCCC1=CC[C@]2(C)[C@@]3(CC[C@@H](C)[C@@]24CCC(C)=C4C3)[C@@H]1N1CC1 2356355740 VZAPAZLMTOYKEU-XXLKIAMFSA-N 353.594 6.504 0 1 FKAF CC1=C[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)CC[C@H](C(C)C)[C@]2(O)CC1 2356502161 ZJMCLZQHFRSWIZ-AWAHEQQVSA-N 368.517 5.155 0 1 FKAF COc1ccc(C(=O)c2c(-c3ccc(OC)cc3)oc3ccccc23)cc1 36388955 TVKSCNIHILDMGO-UHFFFAOYSA-N 358.393 5.348 0 3 FKAF O=C(NC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773338 LQKGMMZYNNGENJ-UHFFFAOYSA-N 364.420 5.210 0 1 FKAF c1cncc(-c2ccc(CNCc3ccc(-c4cccnc4)s3)s2)c1 13607132 CKCZUAVVHJHNJY-UHFFFAOYSA-N 363.511 5.223 0 1 FKAF in-vivo Cc1ccc(N2C(=O)[C@@H](c3ccccc3)N(c3ccc(C)cc3)C2=S)cc1 13680180 GLKVKZHCCAPKIW-OAQYLSRUSA-N 372.493 5.183 0 1 FKAF CC(=O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(=O)O 14654672 SFLIVRHHZBCWND-HBMXLFFTSA-N 362.510 5.760 0 1 FKAF Clc1cccc2c1Oc1ccccc1[C@@H]2SCCN1CCCCC1 25971002 CAGMUOLGYNGGLO-FQEVSTJZSA-N 359.922 5.754 0 1 FKAF CC(C)Cc1cc(-c2nc(C(C)C)co2)nnc1-c1nc(C(C)C)co1 28953880 HTZJIISPEJXOBY-UHFFFAOYSA-N 354.454 5.232 0 1 FKAF CCC(=O)C(CCCCCCOc1ccc(SC)cc1)C(=O)CC 32138808 XHZNZXMMPRUUOL-UHFFFAOYSA-N 350.524 5.312 0 1 FKAF c1ccc(C(c2ccccc2)n2c(CN3CCCC3)nc3ccccc32)cc1 96285122 KVVFXIDTRQNBOT-UHFFFAOYSA-N 367.496 5.270 0 1 FKAF OC1(c2ccccc2)C[C@H]2CC[C@H](C1)N2C(c1ccccc1)c1ccccc1 101195587 CLYMVAVVSSYJKT-DNQXCXABSA-N 369.508 5.291 0 1 FKAF CN(C)CCN1[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1 103301415 YWQQAWCNLAEXCI-PLQXJYEYSA-N 364.577 5.037 0 1 FKAF OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccsc2)C[C@H](c2ccccc2)C1 104703453 JDFRVCXAQQIUDR-GAJHUEQPSA-N 372.493 6.377 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CC[C@H](C)C(=O)NCCO 169334024 POPPPMLPRVFFPI-RRLBHHRISA-N 361.570 5.487 0 1 FKAF Oc1cc(Cl)ccc1Oc1ccc(CNc2ccccc2)cc1Cl 169701481 CCVYFMASDLGDMS-UHFFFAOYSA-N 360.240 6.103 0 1 FKAF O=C(Nc1ccc(-c2ccc(Cl)cc2F)cc1F)c1ccccc1O 299822336 PYDDSOAPVJNMOU-UHFFFAOYSA-N 359.759 5.243 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2cc(Br)c(F)cc2[nH]1 586882984 DOTLWGJDZBUYOK-UHFFFAOYSA-N 355.210 5.593 0 1 FKAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 586895916 CEAIRJDTTAYSCE-UHFFFAOYSA-N 355.319 5.016 0 1 FKAF FC(F)(F)c1cc2nc(-c3occ4c3CCC4)[nH]c2cc1Br 586905666 YARUSDFTFCHOKK-UHFFFAOYSA-N 371.156 5.093 0 1 FKAF Cc1ccc(CSCCc2nc3cccc(Br)c3[nH]2)cc1 586971392 WMCGHPCTMNCFLO-UHFFFAOYSA-N 361.308 5.110 0 1 FKAF Clc1ccc(-c2nc(-c3nc4cc5ccccc5cc4[nH]3)cs2)cc1 587016427 VSVVXSHTARSWFJ-UHFFFAOYSA-N 361.857 6.160 0 1 FKAF Cc1nc(-c2c[nH]cc2-c2nc3cc(Br)cc(C)c3[nH]2)cs1 587020581 BZBXANYEKXCZRK-UHFFFAOYSA-N 373.279 5.061 0 1 FKAF c1ccc(Oc2ccc3nc([C@@H]4SCCc5sccc54)[nH]c3c2)cc1 587036766 MSGDBHRBUWDOLG-LJQANCHMSA-N 364.495 5.795 0 1 FKAF COc1cc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2cc1Cl 587066176 HBRGTDCUHFXEGI-UHFFFAOYSA-N 372.255 5.644 0 1 FKAF Cc1c(Cl)ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587076769 NIGBYCJDYYWKEG-UHFFFAOYSA-N 373.243 5.013 0 1 FKAF FC(F)(F)Oc1cccc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 587088266 VLZQNPJXVPJTLD-UHFFFAOYSA-N 351.715 5.263 0 1 FKAF Nc1ccc2c(c1)CCCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587104196 FCHOCYOXYXLTEU-UHFFFAOYSA-N 362.432 5.184 0 1 FKAF Cc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1C 587109270 FONNVQBZQGHIKL-UHFFFAOYSA-N 372.312 5.808 0 1 FKAF Cc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1Cl 587137286 XMOAGPULVHIMTO-UHFFFAOYSA-N 374.040 5.747 0 1 FKAF CC(C)C[C@H](C)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602500 YENRSYINXCOPNJ-VQPPSCEASA-N 354.446 5.185 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccccc3F)c(Cc3ccccc3F)[nH]c12 587624129 DNFONBAMPFBDEI-UHFFFAOYSA-N 367.826 6.666 0 1 FKAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587815575 NUJJPQKFLNMBEB-BFUOFWGJSA-N 362.286 5.003 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(C)CCCCC2)N1 587816129 URDGBAAFWNBVQI-SGTLLEGYSA-N 354.307 5.308 0 1 FKAF CCCC1CCC([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587818528 FDNDFXYXHKKVMY-WGFJEIQISA-N 368.334 5.770 0 1 FKAF CC(C)[C@]1(C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587819324 LSWHUGYVDYHTMU-ORAYPTAESA-N 368.334 5.554 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccccc2[nH]1 587860512 ZATILYBTPYFILB-UHFFFAOYSA-N 373.243 5.121 0 1 FKAF CCOC(=O)c1ccc2nc(-c3cccc(-c4ccc(OC)cc4)c3)[nH]c2c1 587934583 DIRDUBHGFAFTIE-UHFFFAOYSA-N 372.424 5.082 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587950802 CVLWVMWFFYKPLA-WQGACYEGSA-N 356.388 5.508 0 1 FKAF CC/C(=C/c1nc2cc(Br)cc(F)c2[nH]1)c1ccc(C)cc1 587968019 RQDOSOHDJZPYGT-WQLSENKSSA-N 359.242 5.724 0 1 FKAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2cnc(-c3ccccc3)o2)cc1 962673277 WNBSECIYYISTSG-QHCPKHFHSA-N 352.437 5.244 0 1 FKAF CC(=O)Oc1cc(C)cc2c1C=C[C@](C)(CCC=C(C)CCC=C(C)C)O2 2356284247 TXZBIVQJZRNDRD-DEOSSOPVSA-N 368.517 6.558 0 1 FKAF CC1=CCC[C@]2(C)CC[C@H](C(C)C)[C@@H](OC(=O)C=Cc3ccccc3)[C@H]12 2356391013 HWWJRNPFZYGYNM-GNLZIIPMSA-N 352.518 6.040 0 1 FKAF CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO)CO 2356470737 ISIHZRKYQJEYEZ-UHFFFAOYSA-N 374.609 6.823 0 1 FKAF CCCCCC=CCCCCCCCCC=CC=CC(=O)NCC(C)C 2356490394 GQCWFFNZERNJJC-UHFFFAOYSA-N 361.614 7.128 0 1 FKAF CC/C(=C(\c1ccc(C)cc1)c1ccc(OCC(=O)O)cc1)c1ccccc1 13760497 DIJXHZKPAGZLTO-BZZOAKBMSA-N 372.464 5.828 0 1 FKAF C/C=C/CO[C@H](C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21 14968792 JFEUWHWUEKXKKU-DKRLNXSXSA-N 363.501 5.931 0 1 FKAF C[C@]12CCC(=O)C[C@H]1CC[C@H]1C3=CC[C@H](c4ccc(=O)oc4)[C@@]3(C)CC[C@@H]12 27633822 VKYZAIOQMTVXEU-PIYVNSCOSA-N 366.501 5.255 0 1 FKAF CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](OC(C)=O)[C@@H](C)N1 28973421 LRKWDKCSHJWJST-BAGYTPMASA-N 367.574 5.329 0 1 FKAF biogenic,in-vivo COc1ccc(CCC(=O)Oc2c3ccccc3cc3sccc23)cc1 35080133 IZQXQWBSRIVKPE-UHFFFAOYSA-N 362.450 5.601 0 1 FKAF CCN(CCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1 40472003 FBINLPWZDBDJAV-UXHICEINSA-N 369.380 5.265 0 1 FKAF CCOC(=O)c1sc(Nc2ccccc2)c(C(=O)c2ccccc2)c1C 40845243 ZRZFHFGDUPEMMC-UHFFFAOYSA-N 365.454 5.208 0 1 FKAF Cc1cc2c(cc1C)C(=O)O[C@@](CCN(C)C)(c1ccc3ccccc3c1)C2 53247018 UCCGZCRQUKXQFI-RUZDIDTESA-N 373.496 5.017 0 1 FKAF CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(C[C@H](C)C[C@@H](C)O2)c2ccccc21 66136510 FCLSDSXDBAGLFT-UEBXAIAOSA-N 367.533 5.756 0 1 FKAF Cc1ccc(N(CCCCCC2CCCCC2)c2ccc[n+](C)c2)cc1 66148649 DVLCUHQSXFKBCZ-UHFFFAOYSA-N 351.558 6.098 0 1 FKAF O=C1C[C@@H](c2ccco2)Sc2ccccc2N1Cc1cccc(Cl)c1 95562519 LFSACMMXLPRGDH-IBGZPJMESA-N 369.873 5.703 0 1 FKAF CCCCCc1ccc(C(=O)Nc2ccc3c(c2)nc(N)n3C(C)C)cc1 169326657 CNQRFGHZRSPCIH-UHFFFAOYSA-N 364.493 5.184 0 1 FKAF Cc1ccc2c(ccc3nc([C@H](C)CC(=O)c4ccc(Cl)cc4)[nH]c32)n1 587069405 JXQRYUVZJLMHBU-GFCCVEGCSA-N 363.848 5.449 0 1 FKAF Oc1cccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587110725 IVPHOIQVYDCHFI-UHFFFAOYSA-N 374.284 5.091 0 1 FKAF Fc1ccc(F)c(SCc2cccc(-c3nc4cnccc4[nH]3)c2)c1 587141583 VQWYDSNNVXLASO-UHFFFAOYSA-N 353.397 5.195 0 1 FKAF Cc1ccc(-c2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)co2)cc1 587514074 GDSZEKKLDNMZGX-OAQYLSRUSA-N 359.425 5.235 0 1 FKAF Cc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527032 YCMMJIGKMBHLCT-SANMLTNESA-N 368.476 5.783 0 1 FKAF Cc1ccc(SC(C)(C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531781 JRDTVAXARYQYQB-NRFANRHFSA-N 366.526 5.779 0 1 FKAF Cc1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587548010 OQYKMTVVPIREAK-WIYYLYMNSA-N 366.800 5.057 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccc(F)cc3)c(-c3ccccc3Cl)[nH]c12 587624829 UUQWSSXWHIONAN-UHFFFAOYSA-N 370.254 7.256 0 1 FKAF Cc1[nH]c2ccccc2c(=O)c1Cc1c(C)[nH]c2c(C)cc(Cl)cc12 587625102 BPMRITAXUXDFIP-UHFFFAOYSA-N 350.849 5.179 0 1 FKAF O=C(O)Cc1c(-c2ccc(Cl)c(F)c2)[nH]c2cc(Cl)c(F)cc12 587628944 BYVIYNMSRUVPDI-UHFFFAOYSA-N 356.155 5.047 0 1 FKAF Fc1cccc2[nH]c(-c3ccc(Cl)cc3)c(-c3nc4ccccc4[nH]3)c12 587632443 BYPTWCGUOAULHU-UHFFFAOYSA-N 361.807 6.171 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C3CC3)c2)N1 587814914 JCWMVJOFCANAFH-YUNKPMOVSA-N 374.297 5.263 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2C2CC2)N1 587815938 RMGKHXRQFQLWHH-YUNKPMOVSA-N 374.297 5.263 0 1 FKAF COc1cccc([C@@H](C)Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587929495 BLNMMASEKRUWDU-INIZCTEOSA-N 358.441 5.710 0 1 FKAF Cc1cc2[nH]c(CCCCCCCCCCCCC(=O)O)nc2c(C)n1 587957697 QBSZWCFGISJUFZ-UHFFFAOYSA-N 359.514 5.493 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cc(Cl)ccc1OCC(C)C 963230824 AYPXMJSLVGPKST-UZUQRXQVSA-N 371.952 6.121 0 1 FKAF Cc1c2nc3ccccc3c-2ccn1CC(=O)c1ccc2ccccc2c1 1772628332 CCEISPYJPGBWHV-UHFFFAOYSA-N 350.421 5.486 0 1 FKAF CC(C)n1c(=O)sc2cc(C(=O)C34CC5CC(CC(C5)C3)C4)ccc21 1857579914 OIKURVJDJHDOGN-UHFFFAOYSA-N 355.503 5.043 0 1 FKAF CCN[C@H]1CCCCc2ccc(OC)c(c2)Oc2cc(ccc2OC)CC1 1857585722 PJLVYLNYNYETHK-IBGZPJMESA-N 369.505 5.133 0 1 FKAF Clc1cccc(CN2CC[C@H]3C[C@H]2c2cc(N4CCCCC4)ccc23)c1 263591182 KZJJRDZSSLUTQV-MBSDFSHPSA-N 366.936 5.765 0 3 FKAF Oc1nc(Nc2cccc(Cl)c2)sc1/C=C1\C=Nc2ccccc21 6932007 VABJJOYZMBJQBL-DHZHZOJOSA-N 353.834 5.502 0 1 FKAF aggregator O=C(O)c1cc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1 13588888 FWUBYIZVKVARPD-UHFFFAOYSA-N 354.620 5.348 0 1 FKAF CCOC(=O)[C@H](C)Oc1ccc(Oc2cc3ccc(Cl)cc3cn2)cc1 29244252 UVNOLKGQXQNIAN-ZDUSSCGKSA-N 371.820 5.011 0 1 FKAF FC(F)(F)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1 29318838 QJRGQWNURIDPSL-UHFFFAOYSA-N 374.214 6.803 0 1 FKAF Brc1ccc([C@@H]2C[C@@H]3Cc4ccc5ccccc5c4N2O3)cc1 40409444 PCKIYGZKFAREKV-HKUYNNGSSA-N 366.258 5.410 0 1 FKAF Clc1ccc(COC2(c3ccc(Cl)cc3)C[C@@H]3CC[C@@H](C2)N3)cc1 101300636 MHCNDBUONARPSD-OALUTQOASA-N 362.300 5.320 0 1 FKAF NC1(c2ccc(-c3nc4cc(F)ccn4c3-c3ccccc3)cc2)CCC1 168256340 SFUWGIZEPMCDBL-UHFFFAOYSA-N 357.432 5.145 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4COC(=O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 169213724 FWUBWQTVQAQNHH-GBOSRWDWSA-N 365.517 5.271 0 1 FKAF CC(C)[C@@]12CC[C@@]3(CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]3C1)[C@@H](CN)C2 195516117 CFSIKOAGZWBLPX-YIYUUMDZSA-N 361.570 5.085 0 1 FKAF COc1cccc2c(NCc3ccccc3)nc([C@H](C)c3ccccc3)nc12 219017096 KSGXSQYGCWPDRN-QGZVFWFLSA-N 369.468 5.402 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc4cnccc34)nc3ccc(O)c1c23 586987422 AUZMMBMYVFRAFE-UHFFFAOYSA-N 374.399 5.367 0 1 FKAF Clc1cc(Br)c2[nH]c(CNc3ccccc3Cl)nc2c1 587060471 MYOCPDCNAZCVRD-UHFFFAOYSA-N 371.065 5.244 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587061351 DYDXSZFMMZAIJE-NSHDSACASA-N 357.187 5.678 0 1 FKAF Cc1cc(C)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 587072608 ZALUZVKXNNYMSJ-UHFFFAOYSA-N 368.267 6.216 0 1 FKAF Cc1cc(O)ccc1-c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587101062 JOLDNNOFFQMJCI-UHFFFAOYSA-N 365.432 5.744 0 1 FKAF Cc1cncc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587112601 OPTDSCVPLYMKSU-UHFFFAOYSA-N 369.346 5.744 0 1 FKAF CSc1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587128223 JJHFOCPXJBFJGJ-UHFFFAOYSA-N 373.453 6.013 0 1 FKAF Cc1cc(Br)c(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1F 587138150 XSUQHUUIDKZTFS-UHFFFAOYSA-N 361.258 5.737 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 587251127 YVTGOQYBRZTMQE-UHFFFAOYSA-N 364.246 5.242 0 1 FKAF COc1cccc(-c2cc(CCCCN(C)C)nc3c2oc2ccccc23)c1 587360703 RMPCLGWYCRTXFU-UHFFFAOYSA-N 374.484 5.541 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCc1ccc(Cl)c(Cl)c1)O2 587372974 CHHSKRUXOVSNGN-CYBMUJFWSA-N 364.272 5.241 0 1 FKAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587504935 JPJZPYDHSMTIKM-NRFANRHFSA-N 356.849 5.108 0 1 FKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CC(C)C 587511698 IFBSLHHELXBLNK-JOCHJYFZSA-N 351.490 5.346 0 1 FKAF O=C1C[C@@]2(CCCC[C@@H]2C2=CCCCC2)Oc2c1ccc1c2CCCC1 587521809 DCMFQRYAVUSOFT-ZJSXRUAMSA-N 350.502 5.960 0 1 FKAF CC(C)(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601752 GYARKPNOVRBPRT-OFNKIYASSA-N 374.436 5.393 0 1 FKAF CC[C@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603717 RCMQDKBNGUSSCD-DENIHFKCSA-N 352.430 5.083 0 1 FKAF CCc1c(-c2ccc(N)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628251 QBMXABXSJDASPC-UHFFFAOYSA-N 372.312 6.017 0 1 FKAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(Br)cc1 587628352 LQWWHJNKELGRAM-UHFFFAOYSA-N 366.617 5.262 0 1 FKAF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 587699854 XWEICHYNSFFOES-BTDLBPIBSA-N 368.677 5.174 0 1 FKAF Clc1cnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 587784584 RVLWAVXPOADCGF-FLIBITNWSA-N 361.832 5.361 0 1 FKAF CC[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812654 KDBPAUCAIMUWDE-ORAYPTAESA-N 362.286 5.084 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccccc1C 587865990 RWECJCFWWBJAKU-UHFFFAOYSA-N 360.379 5.324 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)cc1 587934527 CEDAGYALYVGJPZ-UHFFFAOYSA-N 352.796 5.698 0 1 FKAF O=C(O)CCCCCCCCCCCCc1nc2ccc(F)c(F)c2[nH]1 587957227 IMUGKSHZMHVJLR-UHFFFAOYSA-N 366.452 5.759 0 1 FKAF CC[C@@H](Cc1ccccc1)[C@@]1(c2ccccc2)NCCc2cc(C)c(F)cc21 962148868 VLVSZPPSXIYCGQ-NVQXNPDNSA-N 373.515 5.792 0 1 FKAF Clc1ccc2sc(CCCCN3CC[C@@H]4CCCC[C@@H]4C3)nc2c1 1772587575 IFPGADOWNOXLNQ-JKSUJKDBSA-N 362.970 5.785 0 1 FKAF COc1cc([C@H]2CC(c3ccco3)=Nc3ccccc3S2)ccc1O 1772651274 ZKWHNXGCUZDEOH-HXUWFJFHSA-N 351.427 5.352 0 1 FKAF C[C@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2cccc(Cl)c2)=NO1 12482065 INWNLRFQHBLPIT-GOSISDBHSA-N 374.227 5.083 0 3 FKAF CC(C)Oc1ccc(Nc2cc3c(cn2)cc(-c2cccnc2)n3C)cc1 74372983 SKGDBZFZOHVXJU-UHFFFAOYSA-N 358.445 5.166 0 3 FKAF Clc1ccc(-c2nc3c4ccccc4ccn3c2CC2CCCCC2)cc1 199201475 LCHVUWANEQFTNB-UHFFFAOYSA-N 374.915 6.931 0 3 FKAF COP(=O)(C[P@@](=O)(OC)OCC[C@@H](C)CCC=C(C)C)OC 1862114 WHBJOLUMANAQER-RCDICMHDSA-N 356.336 5.059 0 1 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(C)cc1)Oc1ccccc1-3 3831960 NTXRXSSTKKNELF-RUZDIDTESA-N 367.492 6.751 0 1 FKAF CCCCC[C@H](O)/C=C/c1[nH]c2ccccc2c1CCCCCCC(=O)O 5550774 NNUMLENANGVSNZ-GVJQPLCZSA-N 371.521 5.700 0 1 FKAF CO[C@]1(c2cccc(OCc3ccc4ccccc4c3)c2)CCCCOC1 13725371 VZHABKIOBCJALE-XMMPIXPASA-N 362.469 5.461 0 1 FKAF C[C@]12CC[C@@H]3[C@H](CCC4=C(SCF)C(=O)CC[C@@]43C)[C@@H]1CCC2=O 29341926 NJRKOHLHHUDPLF-QEUSRBKZSA-N 350.499 5.075 0 1 FKAF CC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O 33822341 DWIGCHXTZQHDFF-UHFFFAOYSA-N 368.602 7.462 0 1 FKAF CC(=O)O/C=C1/CC/C=C(\C)C[C@@H]2OC(=O)[C@H]1[C@H]2[C@@H](C)CCC=C(C)C 40402334 DFKHRBLZEJCJLU-ZBXWVNBDSA-N 360.494 5.104 0 1 FKAF in-vitro CCCCC[C@H]1CN=C(CCCC/C=C\CCCCCCC(=O)OC)O1 43067395 WHVRXIVVBUMCTF-BPJPHKDRSA-N 365.558 5.994 0 1 FKAF Fc1ccc(-c2nc(CNCC(c3ccccc3)c3ccccc3)co2)cc1 72180172 XSHJYMMLAMKORD-UHFFFAOYSA-N 372.443 5.402 0 1 FKAF CCn1ccc2c3nc(-c4ccccc4)cc(Cn4ccnc4)c3ccc21 96286003 JJBBGSQNJYBGBL-UHFFFAOYSA-N 352.441 5.121 0 1 FKAF CC(C)[C@@]12CC[C@@]3(CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]3C1)[C@@H](CN)C2 102736092 CFSIKOAGZWBLPX-KGXYWEQKSA-N 361.570 5.085 0 1 FKAF N[C@H]1CC[C@@H](N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CC1 149618722 BINXOHRETRQOCW-NCYKPQTJSA-N 374.450 5.088 0 1 FKAF Clc1ccc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 299864693 RWQRAUROYIONSV-UHFFFAOYSA-N 359.860 5.805 0 1 FKAF Oc1ccccc1C1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CC1 586897244 WJOSWEFPRYZLSS-UHFFFAOYSA-N 352.743 5.021 0 1 FKAF Cc1ncsc1CCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587028571 WKLMCXVAQNGTOV-UHFFFAOYSA-N 351.500 5.264 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccccc2[nH]1 587071759 MYUVBQDEEJSKNA-QVUXXXOXSA-N 357.284 6.236 0 1 FKAF Cc1c(Cl)ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074371 UHWUFIWKWHHQCI-QGZVFWFLSA-N 360.288 5.515 0 1 FKAF Cc1nc(Cl)ccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103118 CSBFUAQUPMFITK-UHFFFAOYSA-N 356.812 5.470 0 1 FKAF Cc1cc(F)c2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2c1 587128296 IWXVSGLQLDWGIT-UHFFFAOYSA-N 359.376 5.739 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2O[C@]2(C)CC3)c1 587367002 VWXBPAFIXQQWCE-DHIUTWEWSA-N 357.409 5.433 0 1 FKAF COc1cccc(-c2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587402639 FSWABVZZJFHNGN-DEOSSOPVSA-N 373.452 5.133 0 1 FKAF CC[C@]1(c2c(Cl)cccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420950 JRYRHOHMXRZQPM-BLVKFPJESA-N 363.240 5.055 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(C1CCC(C(F)(F)F)CC1)CC2=O 587464103 ILXHJZNOZHOSSJ-PNQRNNEWSA-N 370.411 5.437 0 1 FKAF O=C1C[C@@H](c2cnc(C3CCCCC3)nc2)Oc2c1ccc1c2CCCC1 587516659 ZDEDUCJHIQLLAE-NRFANRHFSA-N 362.473 5.110 0 1 FKAF CC1(C)CCc2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587528231 ZGTSHOIGZGGMNO-RUZDIDTESA-N 360.497 5.789 0 1 FKAF CC(C)c1cccc2c1OCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587535131 ITRAWKXASDLJRR-DEOSSOPVSA-N 362.469 5.332 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CCCCC2)(C2CC2)N1 587816043 SPSRIXBMAUMUPV-BLVKFPJESA-N 366.318 5.308 0 1 FKAF CCc1cccc(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587819314 LRADIWHVTYLFBW-BUXKBTBVSA-N 362.286 5.083 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3ccccc23)N1 587819516 INHWMWRUXHPKCO-MPBGBICISA-N 370.265 5.365 0 1 FKAF CC(C)[C@H]1CC[C@H](C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587831345 XBHVTBWTJPSLLJ-AEVLCDIHSA-N 368.334 5.410 0 1 FKAF COc1cc(C2(c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)CC2)ccc1C 587928031 WKPKVLXGPTYSTQ-UHFFFAOYSA-N 364.342 5.118 0 1 FKAF CCC(CC)c1ncc([C@@H]2N[C@H](CC)Cc3c2[nH]c2ccccc32)s1 962962558 YAKGWZJQYSVADV-VLIAUNLRSA-N 353.535 5.542 0 1 FKAF COc1ccc(C[C@@H](C)[C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc1F 963101441 AXTFQADNGMXQRF-WYRIXSBYSA-N 368.279 5.207 0 1 FKAF Fc1cccc([C@@]2(c3cc(F)cc(F)c3)NCCc3cccc(Cl)c32)c1 963391644 WAWVTPWFKARWLZ-NRFANRHFSA-N 373.805 5.195 0 1 FKAF Cc1ccncc1C1=CC=C2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1772629318 XAFGDJBGQRTFAX-ZGTHKHSNSA-N 361.529 5.627 0 1 FKAF CCCCC[C@H](O)CCCCCCCCCCCc1cc(O)cc(O)c1 1857569302 FSSDTZNYEUODHR-NRFANRHFSA-N 364.570 6.483 0 1 FKAF CC1(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CCCCCC1 1857770586 VXBBGIDGHWHFDQ-UHFFFAOYSA-N 372.412 5.494 0 1 FKAF CCCC/C=C/[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 5977948 JQFQHHGZEVGIFP-XAJMEMKASA-N 369.508 6.571 0 3 FKAF O=c1cc(Cc2cccc3ccccc23)nc(SC2CCCCCC2)[nH]1 5974982 IIXIOCWDSAKRJG-UHFFFAOYSA-N 364.514 5.329 0 1 FKAF C[C@@H]1OC(=O)[C@@H](CCCCCCCCCCCCCc2ccccc2)[C@H]1O 13462004 PBJHEIRFTYGACF-PMVMPFDFSA-N 374.565 5.833 0 1 FKAF biogenic Cc1c(C2CCN(Cc3ccccc3)CC2)n[nH]c1-c1ccc(Cl)cc1 13763878 GWSJSKIZAIMZOZ-UHFFFAOYSA-N 365.908 5.418 0 1 FKAF Cc1ccc(NC(=O)Nc2nc(-c3ccccc3)nc3ccccc23)cc1 26376117 SGALZRRJXLTJCZ-UHFFFAOYSA-N 354.413 5.249 0 1 FKAF CCc1cccc(NC(=N)Nc2cc(C(F)(F)F)cc(CC)c2Cl)c1 27431092 MYSGSOCXSBTZTM-UHFFFAOYSA-N 369.818 5.942 0 1 FKAF CCC(=O)c1cc2c(o1)C[C@@H]1CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2 40492083 BRNOSSNGWQHLRG-DHTYWXIKSA-N 370.533 5.191 0 1 FKAF CC1(C)C[C@](CCNc2ccc(C(C)(C)C)cc2)(c2ccccc2)CCO1 72107607 RQGCKSRATVIWJC-RUZDIDTESA-N 365.561 6.313 0 1 FKAF CCCCc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 72182281 KDFXABCLWSTLIT-UHFFFAOYSA-N 353.465 7.018 0 1 FKAF CCn1c2ccccc2c2cc(/C=C/c3ccc4ccccc4[n+]3C)ccc21 96142720 KISPTSIXDBWEIX-UHFFFAOYSA-N 363.484 5.963 0 1 FKAF O=Nc1c(-c2c(O)[nH]c3ccc(Br)cc23)[nH]c2ccccc12 101094088 YSIKXXBSGNCIBA-UHFFFAOYSA-N 356.179 5.182 0 1 FKAF CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(C)c2)C2=C(O)CCCC2=N1 104083873 ODCZBYYPXAITEX-NRFANRHFSA-N 365.473 5.289 0 1 FKAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cccc(Cl)c4[nH]3)c2)c1 587051052 WVJCUPFQPOPVJU-UHFFFAOYSA-N 367.235 6.016 0 1 FKAF Clc1nc(-c2nc3ccc(Br)cc3[nH]2)cc2ccccc12 587085821 JOYIZTGCZXYYPQ-UHFFFAOYSA-N 358.626 5.194 0 1 FKAF CC(C)(C)c1cccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116110 NXFVQUPQPCILLU-UHFFFAOYSA-N 370.378 5.489 0 1 FKAF Fc1ccc(/C=C/c2nc3cc(Br)cc(Cl)c3[nH]2)c(F)c1 587150846 UPYHGPHZDUXLLL-DUXPYHPUSA-N 369.596 5.427 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(Br)cc(C)c2[nH]1 587154214 AEQNLYQRGAMYIZ-CQSZACIVSA-N 363.230 5.303 0 1 FKAF C[C@H](CSc1ccc(F)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587170922 VZJVKKMQMMDLFI-SSDOTTSWSA-N 358.335 5.154 0 1 FKAF CC(C)(C)c1cccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc12 587244294 NCDIPNUHENGOLZ-UHFFFAOYSA-N 369.468 5.780 0 1 FKAF CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352890 KEAWBCAAVLLYAV-GGAORHGYSA-N 362.400 5.196 0 1 FKAF CC(C)C[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354830 OVGUWOGGBNPYQV-UNMCSNQZSA-N 356.437 5.331 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](OC2CCC2)C3)c1 587365619 MTTFJNOJRYOEHP-HXUWFJFHSA-N 371.436 5.823 0 1 FKAF COc1cccc(-c2cc([C@H]3C[C@H]4CC[C@H]3C4)nc3c2oc2ccccc23)c1 587365726 OJURRUORRQLPRH-KNBMTAEXSA-N 369.464 6.560 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)C(C)(C)CCC3(C)C)O2 587406190 QRTJCBATXNPPMU-OAQYLSRUSA-N 363.501 5.633 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(CC)CC)c(F)c1)CC2=O 587468988 ZJKXOORGBGUKIC-OAQYLSRUSA-N 371.452 5.037 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(C)C)cc1)CC2=O 587478215 FJJZTSCPVDZVIW-HSZRJFAPSA-N 368.473 5.260 0 1 FKAF C[C@@]1(c2c(Cl)cccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587509747 WYJIDOKQPPTZON-FQEVSTJZSA-N 361.268 5.753 0 1 FKAF O=Cc1cc2ccccc2cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525381 OVNZRKYJBITAHC-HSZRJFAPSA-N 356.421 5.238 0 1 FKAF Cc1ccc([C@]2(c3ccco3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587534758 YDKJDGMNKXEVTE-VWLOTQADSA-N 372.464 5.684 0 1 FKAF CC[C@]1(C2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587818591 IXXNWWJSLMIWFT-KZULUSFZSA-N 354.307 5.308 0 1 FKAF CCOC(=O)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587949246 CNEAHFHNRROWCX-UHFFFAOYSA-N 372.424 5.123 0 1 FKAF Oc1nc2cc3nc(/C=C/c4ccccc4Oc4ccccc4)[nH]c3cc2[nH]1 587950127 PNWXMLZQDQFYBR-ZHACJKMWSA-N 368.396 5.108 0 1 FKAF COc1cccc(-c2nc(Nc3cccc(Cl)c3)c3cccnc3n2)c1 1772588550 CMBSKRVGHWYVQH-UHFFFAOYSA-N 362.820 5.097 0 1 FKAF c1ccc2c(-c3ccc(CNCCc4c[nH]c5ccccc45)o3)cccc2c1 1857576654 SNCGAJOBROMOEI-UHFFFAOYSA-N 366.464 5.913 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@@H]3CC[C@]12C 2356390227 UPLFAPLODUYLJO-BULVKTHQSA-N 358.610 6.464 0 1 FKAF COc1ccc2oc([C@H](c3ccccc3)c3c(C)[nH]c4ccccc34)cc2c1 2382230886 OMXUZXJCAXLBMS-VWLOTQADSA-N 367.448 6.411 0 1 FKAF CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)NC1CCCC1 777195 QRUOGFYFLIHIHM-UHFFFAOYSA-N 364.848 5.104 0 1 FKAF CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCCc2ccccc21 3799226 BGPLPWJOGBYEMS-IBGZPJMESA-N 364.533 6.175 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC(C)(C)C 38146539 HZJPXXDVTLCBKG-LUDVVXGUSA-N 359.598 7.047 0 1 FKAF Cc1ccc2cc(-c3n[nH]c4ccc(NC(=O)C5CCCCC5)cc34)[nH]c2c1 66102280 QUPIETWSIKUUJJ-UHFFFAOYSA-N 372.472 5.538 0 1 FKAF CC(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 71330638 ADTAEPULJXDQNF-UHFFFAOYSA-N 351.456 5.045 0 1 FKAF CCCOc1ccc(-c2nc(CNC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)co2)cc1 72184791 IKPIADABZFIYFY-WFXMLNOXSA-N 368.521 5.292 0 1 FKAF CCCC[n+]1ccn([C@@H](c2ccccc2)c2cc3ccccc3o2)c1CC 95589921 JBGRGAYVRBYTCT-DEOSSOPVSA-N 359.493 5.522 0 1 FKAF COC(=O)/C=C(C)/C=C(F)/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C 169317428 MKLFSYMMTBHGNV-XADOCOODSA-N 358.453 5.553 0 1 FKAF CCc1cc2c(OCc3cc(-c4ccc(Cl)cc4)no3)ncnc2s1 205747246 NWHNDGFIUGKNAI-UHFFFAOYSA-N 371.849 5.141 0 1 FKAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255221280 JLMUUJZJXDLYNO-LTNZQGPOSA-N 368.605 6.695 0 1 FKAF Cc1cnc(Cl)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586986857 PQEDIPMEUXWQOS-UHFFFAOYSA-N 372.811 5.176 0 1 FKAF Cc1ccc2c(ccc3nc(Cc4ccc(C)c(C(F)(F)F)c4)[nH]c32)n1 587095759 UGDTUZCPUPXKIJ-UHFFFAOYSA-N 355.363 5.338 0 1 FKAF Cc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1C 587110282 PYMRRTJTKVHYBI-UHFFFAOYSA-N 372.312 5.808 0 1 FKAF Cc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1Cl 587164780 XEIRZZYFNIXCAG-GDNBJRDFSA-N 368.864 6.314 0 1 FKAF Cc1c(Cl)ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587167082 HJCZULGNZUNCFK-MRXNPFEDSA-N 372.831 5.033 0 1 FKAF O=C(O)c1nc2cccc3c2c(c1C1CCCCC1)-c1ccccc1C3=O 587207526 MOQBGZATONGDDG-UHFFFAOYSA-N 357.409 5.192 0 1 FKAF Cc1cccc2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355376 USWUWPUPEAXAKX-VWNXMTODSA-N 374.411 5.040 0 1 FKAF CCCC[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356648 QWCFDCJLTKJTKC-VZPUWSDOSA-N 368.448 5.619 0 1 FKAF COc1cc2c3c(c1)O[C@H](CCc1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587445904 PNOQLWWOVROWFY-FGZHOGPDSA-N 370.448 5.111 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(CC)CC)c(F)c1)CC2=O 587468982 ZJKXOORGBGUKIC-NRFANRHFSA-N 371.452 5.037 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]1CCCC[C@@H]1C2 587601599 DUNPQHKIXGKOJP-YTSUXIDCSA-N 364.441 5.083 0 1 FKAF Cc1cccc(Cl)c1NC(=O)c1c(C)[nH]c2ccc(F)c(Cl)c12 587627957 CTYMDGFZDGRTGC-UHFFFAOYSA-N 351.208 5.483 0 1 FKAF CC(C)c1[nH]c2cc(Cl)c(F)cc2c1-c1ccccc1Br 587628115 IJZPXJHGFPAMNE-UHFFFAOYSA-N 366.661 6.513 0 1 FKAF Cc1ccc(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)cc1Cl 587628640 PJWUYIRONYIMEY-UHFFFAOYSA-N 351.208 5.483 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3ccc(Cl)c(C)c3[nH]2)c1 587779560 ASZZXHVAVBAEND-UHFFFAOYSA-N 362.860 6.257 0 1 FKAF CC(C)=C1CC[C@@H](C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587817123 IVWQCKDYWOTSQZ-NQCMUKECSA-N 366.318 5.474 0 1 FKAF Cc1ccc([C@]2(C(F)(F)F)NCCc3cc(-c4ccccc4)ccc32)cc1 962667795 VSFSOXJRUKDHIL-QFIPXVFZSA-N 367.414 5.614 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCc3[nH]c4ccc(F)cc4c32)N1 962954058 XERDKOLEEIOWJT-OYLFLEFRSA-N 373.475 5.293 0 1 FKAF Fc1ccc(-c2cnc3cnc(-c4ccccc4Cl)cn23)cc1Cl 1857620135 UIXLNEMRBNXJFF-UHFFFAOYSA-N 358.203 5.509 0 1 FKAF CC(C)CC=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@]12C 2356779048 KBCDSNLTAKWEDU-YFQFLOMZSA-N 372.637 6.855 0 1 FKAF Cc1cccc(C[C@@]2(SCc3ccccc3)C(C)(C)[C@@H]3CC[C@@]2(C)C3)n1 5596555 SOJRMMPXQXUKCQ-FGCOXFRFSA-N 365.586 6.451 0 1 FKAF CC(C)c1ccc(O[C@](C)(Cc2ccc(C(F)(F)F)cc2)C(=O)O)cc1 13604773 HLQYODDJRLWDLW-LJQANCHMSA-N 366.379 5.294 0 1 FKAF COc1ccc2c(c1)O[C@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)C2=O 49808245 XCTQFDUXJBEYQJ-RBBKRZOGSA-N 364.828 5.449 0 1 FKAF CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)c3c2c1c(C)c1nc(CC(N)=O)oc31 72122704 ADSHTCDXJXKVFG-WMHQRMGPSA-N 366.505 5.235 0 1 FKAF COc1ccc2cc(-c3nc(C(C)(C)C)[nH]c3-c3ccccc3)ccc2c1 84653012 ROGPHLWFCXLWBZ-UHFFFAOYSA-N 356.469 6.203 0 1 FKAF O=C(O)c1sc2ccccc2c1CCCOc1cccc2ccccc12 95596240 WEKMYYBVUYSISQ-UHFFFAOYSA-N 362.450 5.764 0 1 FKAF CCOc1ccc(-c2c[nH]c3cc(NCc4ccc(CC)cc4)ccc23)cc1 95596450 SUDQKMASUNBASY-UHFFFAOYSA-N 370.496 6.408 0 1 FKAF Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccc4ccccc4c32)o1 104099529 PUZOPAYUVUIEPV-HSZRJFAPSA-N 357.453 6.591 0 1 FKAF CCSCCCCCCCCCCCOc1ccc(C(=O)OC)cc1 169340432 NGUYCAVDMRBCBY-UHFFFAOYSA-N 366.567 6.116 0 1 FKAF 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@]12C 253986725 FEGCPHIPSRBREU-FNESMDSFSA-N 374.565 5.283 0 1 FKAF CCCCc1c[nH]c(=N)c2c(-c3ccc(Oc4ccccc4)cc3)csc12 473107752 KJVXUHYJXXXOPH-UHFFFAOYSA-N 374.509 6.511 0 1 FKAF CCc1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1CC 586879185 JJNQDFHMTCFYFY-UHFFFAOYSA-N 363.686 5.771 0 1 FKAF FC(F)(F)c1cc(Br)c2[nH]c(/C=C\c3ccsc3)nc2c1 587024755 BPKSOLNDEOQGHH-UPHRSURJSA-N 373.197 5.576 0 1 FKAF CC(C)(C)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2n1 587052922 UCYOMECTQPCLAN-UHFFFAOYSA-N 350.853 5.367 0 1 FKAF FC(F)(F)c1cccnc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587107656 DONBBAXMSWIKHB-UHFFFAOYSA-N 371.387 5.795 0 1 FKAF COc1cccc(-c2cc(C3=COCCO3)nc3c2oc2ccccc23)c1 587367042 XFTMAXSPJZWCSY-UHFFFAOYSA-N 359.381 5.002 0 1 FKAF O=C1C[C@@H](c2ncc(-c3ccccc3)s2)Oc2c1ccc1c2CCCC1 587535498 LSHNXWKKGLXTAV-IBGZPJMESA-N 361.466 5.395 0 1 FKAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587540460 AIVLMNGFVIWMCM-NQIIRXRSSA-N 366.800 5.057 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C1CCCCC1)C1CC1 587604071 ULUFHJBCHPZBKJ-NZQKXSOJSA-N 364.441 5.083 0 1 FKAF CCCC[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604291 SEDUDXJTIKYXRH-QOEFQVSFSA-N 352.430 5.083 0 1 FKAF CCCOc1cccc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587778812 QHCNXDXRRFEITK-UHFFFAOYSA-N 368.786 5.615 0 1 FKAF CC(C)[C@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587848305 NOEUYHGIRWZTNI-DIFFPNOSSA-N 368.315 5.084 0 1 FKAF Clc1ccc(CNCC[C@@H]2C[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1 1857538885 SQHUIYYAANWTCK-CZUORRHYSA-N 360.288 5.153 0 1 FKAF Cc1cc(O)c(O)c(=O)cc1-c1cccc(-c2ccc3ccccc3c2)c1 1857611706 SLQWBULJVNGZBQ-UHFFFAOYSA-N 354.405 5.254 0 1 FKAF CC(=CCO)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 2356388528 IRJHFRKRPYTYCQ-WXFUMESZSA-N 366.674 8.171 0 1 FKAF Cc1cc(Cl)ccc1[C@@H](O)c1ncc(-c2ccccc2C(F)(F)F)[nH]1 61927374 VDNWRQXHOUPWGV-MRXNPFEDSA-N 366.770 5.139 0 3 FKAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)C(=O)O 8860414 KOVJQSKMGZBKPQ-YGJQYFAASA-N 373.537 5.497 0 1 FKAF CCCN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28474607 QKGAXYSDJGCXBS-UHFFFAOYSA-N 363.480 5.472 0 1 FKAF CC1(C)CCc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2[C@@H]1O 40393016 NVKLAUQZYRMPMH-IBGZPJMESA-N 368.864 5.079 0 1 FKAF Clc1ccc(CN(Cc2ccc(Cl)s2)n2ccnc2)c(Cl)c1 40405312 BEEAEOAHTZJOBR-UHFFFAOYSA-N 372.708 5.243 0 1 FKAF CCCCCCC(=O)N(C)CCCC/C=C\CCCCCCC(=O)O 43071949 CJHOGNAQWWHHBN-CLFYSBASSA-N 353.547 5.567 0 1 FKAF in-vivo COc1cc(/C=C/C=C/C=C/C=C/c2ccccc2Cl)oc(=O)c1C 64527110 ZCKGHZWBNWHWKM-HPOLBAQYSA-N 354.833 5.449 0 1 FKAF CC(C(=O)N(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F 68573207 BHIUHYCHVQEHIX-UHFFFAOYSA-N 361.285 5.482 0 1 FKAF biogenic CN(C(=O)c1ccccc1Cl)N1c2ccccc2CCc2ccccc21 68589054 BKJHYDJCOBJUHJ-UHFFFAOYSA-N 362.860 5.264 0 1 FKAF biogenic CC1(C)C[C@@H]2C[C@](C)(CN2c2nc(-c3ccco3)cc(C(F)(F)F)n2)C1 100292925 LYGCBZGVDNGGFU-XIKOKIGWSA-N 365.399 5.160 0 1 FKAF Cc1cc([C@@H]2[C@@H]3CC[C@@H](C[C@H]2c2ccc(Br)cc2)S3)on1 101388771 YEUFVHULUPJOQC-NXNVCVFFSA-N 364.308 5.281 0 1 FKAF CC[C@H]1O[C@@H]2[C@@H](OCc3ccccc3F)[C@@H](CC)O[C@@H]2c2ccccc21 103281938 ZUIHWROEKOMNDU-YXIAPDDASA-N 356.437 5.111 0 1 FKAF CCOC(=O)[C@H](CC)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 169321125 ZPJKGVVSTCROFP-INIZCTEOSA-N 352.540 5.421 0 1 FKAF Cc1ccc(C2=NN(c3nc(O)cs3)[C@H](c3ccccc3C)C2)cc1C 169728199 OZPOSWUAIKTCJN-IBGZPJMESA-N 363.486 5.130 0 1 FKAF CCC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]12C 238765333 PLFOYKFPFYCBNQ-MGZRCBFXSA-N 372.681 8.642 0 1 FKAF COc1ccccc1C(=O)Nc1cccc(-c2ccc3ccccc3c2)c1 299835210 MAPPWHYFRKTPCU-UHFFFAOYSA-N 353.421 5.768 0 1 FKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cccc(Cl)c4[nH]3)c2)cc1 587067834 RBMGFIMVKGBNBU-UHFFFAOYSA-N 369.251 5.696 0 1 FKAF C[C@H](c1nc2cccc(Br)c2[nH]1)c1ccccc1C(F)(F)F 587098571 SYUAPZUOSQKGAL-VIFPVBQESA-N 369.184 5.496 0 1 FKAF Fc1cnc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c2c1 587113325 HOEDNCUECYSSSF-UHFFFAOYSA-N 373.309 5.575 0 1 FKAF FC(F)(F)Sc1ccc(/C=C/c2nc3ccc(Cl)cc3[nH]2)cc1 587125285 PEKZWUACSPKCPR-FPYGCLRLSA-N 354.784 5.999 0 1 FKAF CCc1ccc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c2c1 587145472 XOGUKVDJGZISAE-UHFFFAOYSA-N 374.415 5.605 0 1 FKAF CCc1c(-c2ccc(C)s2)nc2cccc3c2c1-c1ccccc1C3=O 587207088 BAAJTCGFBVLIJR-UHFFFAOYSA-N 355.462 6.046 0 1 FKAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(Cl)c(F)cc2[nH]1)C1CCCC1 587224148 FMWIUNFFJWIVJZ-HNNXBMFYSA-N 367.852 5.111 0 1 FKAF CC(C)Oc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587245328 VYLWKBDXDCDVIY-UHFFFAOYSA-N 371.440 5.269 0 1 FKAF Nc1ccc(/C=C/c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 587251253 DJZXEODTYZWQMT-ZZXKWVIFSA-N 371.284 5.353 0 1 FKAF Cc1c(Br)ccc2nc(-c3cc(N)cc4ccccc34)[nH]c12 587251474 FRICLDIFBAZTBQ-UHFFFAOYSA-N 352.235 5.036 0 1 FKAF O=C1C[C@@H](c2[nH]c3ccccc3c2Cl)Oc2c1ccc1c2CCCC1 587500896 QHZRGHOKDQJMQK-SFHVURJKSA-N 351.833 5.407 0 1 FKAF O=C1C[C@@H](c2cccn2Cc2cccs2)Oc2c1ccc1c2CCCC1 587531542 LSWHPNZBTPDAKL-NRFANRHFSA-N 363.482 5.183 0 1 FKAF O=C1C[C@@H](c2cccc(-c3ccc(O)cc3)c2)Oc2c1ccc1c2CCCC1 587532227 JTCAIVVRQDCJFO-DEOSSOPVSA-N 370.448 5.645 0 1 FKAF CCc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622221 FTPHBJFCVDFGNI-UHFFFAOYSA-N 358.214 5.175 0 1 FKAF CC(C)(C)c1[nH]c2cc(F)ccc2c1Cc1cccc(Br)c1 587632617 MFFSJSSEJRRIQN-UHFFFAOYSA-N 360.270 5.958 0 1 FKAF CC1=C[C@H](C)C[C@H]([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C1 587822205 JEFAXEUMBRGPHQ-JFJFPDHYSA-N 352.291 5.156 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(c3ccccc3)C2)N1 587823407 PTRUBHARZIJKFT-LJLKPOLSSA-N 374.297 5.069 0 1 FKAF CCCC[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587824608 XSVBIEPXSSZWDA-WRSAYESZSA-N 354.307 5.308 0 1 FKAF Fc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c(F)c1F 587949937 OBJAPPMYHHKXKG-KHPPLWFESA-N 366.342 5.943 0 1 FKAF C[C@@H]1CCCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)C1 653710284 OCWSSCWGTSXWQU-LJQANCHMSA-N 362.517 5.727 0 1 FKAF CCC[C@]1(Cc2ccccc2)c2ccsc2CCN1Cc1cccn1C 962369416 DGPBKWMNIJQAQD-QHCPKHFHSA-N 364.558 5.383 0 1 FKAF CCc1ccccc1-c1nc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)co1 963107089 LRUBOYHJMUGEGS-LJQANCHMSA-N 373.283 5.446 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(F)(F)CC[C@@]43C)C1=CC=C2c1cccnc1 1772619358 OZONUHIWGLDCKU-KCRBMJMASA-N 369.499 6.673 0 1 FKAF CC(C)(C)c1ccccc1Oc1ccc(N2CCC[C@H]2CC(=O)O)cc1 1772641842 BXWJIEUCTXBYQV-KRWDZBQOSA-N 353.462 5.220 0 1 FKAF COc1ccc(NCc2ccc(Oc3c(N)cccc3Cl)cc2)cc1 1857553388 RPGKZHKRCUTZJJ-UHFFFAOYSA-N 354.837 5.335 0 1 FKAF CC(C)=CCCC(C)=CCN1C(=O)[C@@]2(OCCC=C[C@@H]2C)c2ccccc21 1857623145 BBKUPXVFOVUPDN-RDPSFJRHSA-N 365.517 5.534 0 1 FKAF c1ccc(Oc2cccc(-c3ccc4ncc(-c5ccoc5)n4n3)c2)cc1 74386182 BHQHUXREIZOOLR-UHFFFAOYSA-N 353.381 5.449 0 3 FKAF c1ccc([C@H]2C3=C(CCCC3)Nc3nc4cc5ccccc5cc4n32)cc1 5593635 UNMUPBFNERJVKC-QHCPKHFHSA-N 351.453 6.033 0 1 FKAF C[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)C1(O)c1ccccc1 17141146 HEXUVKQFPIUPML-GQUJEBGOSA-N 371.524 5.574 0 1 FKAF CN(C(=O)Oc1ccc(Oc2ccc(Cl)cn2)cc1)c1ccccc1 28826659 JJDGQGUSOSXPGM-UHFFFAOYSA-N 354.793 5.163 0 1 FKAF C[C@H](NC1=NCCCCC1)c1ccc(OCCCOc2ccccc2)cc1 39369516 ZRHVWVOIHFDQOQ-IBGZPJMESA-N 366.505 5.158 0 1 FKAF CC(C)=CCN1CC[C@@]2(CC=C(C)C)c3ccccc3N(CC=C(C)C)[C@@H]12 40845197 QXNSFPSGHIXUGR-RPBOFIJWSA-N 364.577 6.065 0 1 FKAF Fc1cccc(-c2nc(Nc3cccc(Cl)c3)c3cc(F)ccc3n2)c1 72115036 KEXYQZIIBLTWMP-UHFFFAOYSA-N 367.786 5.972 0 1 FKAF Fc1ccc(F)c(CNc2cc(Oc3ccc4ccccc4c3)ncn2)c1 82067503 LEUFWKCOKNDDCK-UHFFFAOYSA-N 363.367 5.312 0 1 FKAF O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2ccccc2Cl)o1 95604932 VQIGXAJSERPZTQ-GDNBJRDFSA-N 356.208 5.746 0 1 FKAF CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 137657479 NFEGCGGXCXXPQW-WBJZGETLSA-N 365.561 6.133 0 1 FKAF O=C1O/C(=C/c2ccccc2)C(Cc2ccccc2)=C1Cc1ccccc1 137798035 LUUFEHDSGHDNCI-HKOYGPOVSA-N 352.433 5.366 0 1 FKAF O=C(c1ccc(-c2ccccc2)cc1)c1ccn(-c2ccc(O)c(F)c2)c1 169311954 KOSJNDOONUXSIU-UHFFFAOYSA-N 357.384 5.220 0 1 FKAF Cc1ccc(C2=NN(c3nc(O)cs3)[C@@H](c3ccc(Cl)cc3)C2)cc1 169726242 PUNQXALVACTHRP-QGZVFWFLSA-N 369.877 5.166 0 1 FKAF CCN(Cc1ccccc1)Cc1ccc(CN(CC)Cc2ccccc2)cc1 200423141 QQNDZCIFKXXEJJ-UHFFFAOYSA-N 372.556 5.731 0 1 FKAF CN(CCCN1c2ccccc2Sc2ccccc21)CCc1ccccc1 299819416 CSIMUUIYWVKULR-UHFFFAOYSA-N 374.553 5.854 0 1 FKAF Cc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)ccc3sc(C)cc23)cc1 473115894 VGWHCZBSMSKERK-FQEVSTJZSA-N 368.498 6.126 0 1 FKAF Brc1c(OCc2nc3ccccc3[nH]2)ccc2ccccc12 587002101 SVDXDXPINOEBHH-UHFFFAOYSA-N 353.219 5.058 0 1 FKAF Cc1c(Br)cc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1C 587042039 GXNMMTXGMILLJZ-OAHLLOKOSA-N 359.292 5.332 0 1 FKAF CCc1cc(OCc2nc3cc(Cl)c(F)c(F)c3[nH]2)ccc1Cl 587053036 ZPWASRJZSDIKGI-UHFFFAOYSA-N 357.187 5.289 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 587071056 ZZNVXZMQKOYVHX-SNVBAGLBSA-N 366.770 5.612 0 1 FKAF Cc1nccc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc12 587072132 UNYDJPZFDLBQHR-UHFFFAOYSA-N 355.228 5.302 0 1 FKAF COc1cccc(-c2cc(Cn3cc(C)cn3)nc3c2oc2ccccc23)c1 587363383 MKSJAUVFHZLMED-UHFFFAOYSA-N 369.424 5.210 0 1 FKAF C[C@H]1CSc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587538115 NOYZEHBBVOHRBP-RCDICMHDSA-N 350.483 5.168 0 1 FKAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C)cc(Cl)cc23)cc1C 587623921 BYIRYIGJDOFFIH-UHFFFAOYSA-N 365.782 5.996 0 1 FKAF CCCCC1(CCCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587813501 OEDZSOFRHFPMRW-ZDUSSCGKSA-N 356.323 5.698 0 1 FKAF CC[C@]1(CCCC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815278 ZJBIYKHKJTVNCE-SCLBCKFNSA-N 356.323 5.554 0 1 FKAF Cc1ccc([C@]2(C(F)(F)F)c3ccc(F)cc3C[C@H]3CCCN32)cc1C 963102677 NECUJXNRDSOTLC-UYAOXDASSA-N 363.398 5.269 0 1 FKAF Cc1cc(N(C)c2ccc3c(c2)c2ccccc2n3C)c2cc(N)ccc2n1 1857581016 VCXHNLZCYLCJNK-UHFFFAOYSA-N 366.468 5.538 0 1 FKAF CC1=C(O)[C@](C)(CCCCC[C@@H](C)CCCCc2ccc(O)cc2)OC1=O 2356307307 RMZWDKIGRKKONG-HXOBKFHXSA-N 374.521 5.839 0 1 FKAF CC(=CCC[C@@H](CO)CCCc1ccoc1)CC[C@@H]1C(C)=CCCC1(C)C 2356607414 UJVZMYQCMKGVLL-ISKFKSNPSA-N 372.593 7.100 0 1 FKAF CCCCC=CCCCCCCCCCCCCCC=Cc1ccco1 2356737916 KOWBSFRPGONUGQ-UHFFFAOYSA-N 358.610 9.111 0 1 FKAF O=C(CN1C=C[C](Cc2ccccc2)C=C1)c1ccc(Cl)c(Cl)c1 2356828283 RQSOQVJQCUTJRC-UHFFFAOYSA-N 357.260 5.336 0 1 FKAF CCCCCCOc1cc[n+](Cc2ccccc2)c2cc(Cl)ccc12 13741424 OTCOJMMYTOLHPG-UHFFFAOYSA-N 354.901 5.788 0 1 FKAF in-vivo Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(N)s2)c1Cl 13828124 MNFDPAPPAHNLHZ-UHFFFAOYSA-N 351.262 5.146 0 1 FKAF CCc1ccc2c(Cc3ccc(Cl)cc3)ccc([C@@H](C)C(=O)O)c2c1 26648843 JYYLWANQIKFDGF-CQSZACIVSA-N 352.861 5.835 0 1 FKAF Cc1cccnc1-c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 38149539 GLRHZCQPTZJNDY-UHFFFAOYSA-N 367.246 5.072 0 1 FKAF Clc1cccc(Cl)c1-c1nc2c([nH]1)c1c(c3ccccc32)CCC=C1 45259042 SHTBVSDAOIJTQJ-UHFFFAOYSA-N 365.263 6.649 0 1 FKAF Cc1cc2c(cc1C)C[C@@](CCN(C)C)(c1ccc3ccccc3c1)OC2 53246818 YMOHKUBSMBRLSY-VWLOTQADSA-N 359.513 5.377 0 1 FKAF CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(=O)CC1=C2C[C@@H](C)CC1 59944361 LSFAPUUSJYJVHB-INIZCTEOSA-N 370.533 6.523 0 1 FKAF CC(=O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 85508840 XITWYGYWFIVTIE-KNGVNFKHSA-N 356.550 5.750 0 1 FKAF biogenic Cc1ccc(C2CCC(N3C(=O)OC(C)(C)[C@@H]3c3ccccc3)CC2)cn1 218053247 UWRLWEYMTHOKSW-JITJBCMDSA-N 364.489 5.388 0 1 FKAF COc1cc(F)cc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 218298724 XCOWRLQIVFOBMJ-JOCHJYFZSA-N 374.415 5.352 0 1 FKAF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(OC)CC[C@@]21C)C(C)C 238776879 OHBIKPTYAYDBKX-LVDXXPOPSA-N 362.554 5.737 0 1 FKAF COC(=O)C[C@H](C)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@H]2C=C[C@@]1(C)OC 238778456 GLCPAKRBJQFMMZ-SCFBQEJPSA-N 350.543 5.390 0 1 FKAF CN[C@@H]1CC[C@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]32)C1 255246667 NLOJUKSOUNWUSW-ACTZNBISSA-N 360.630 5.183 0 1 FKAF O=C(c1ccccc1)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586883393 IXZZRZZVWIEFIC-SXTNBDNLSA-N 356.469 5.262 0 1 FKAF Cc1ccc(CSCCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 586971407 WYOSPRYMLLQOGP-UHFFFAOYSA-N 368.399 5.505 0 1 FKAF Cc1ccc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c1 586983010 SWEVCFWBVHFWFS-MRXNPFEDSA-N 371.322 6.006 0 1 FKAF CC(C)(C)[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586989717 CXQOFSLUKIUOJZ-ZDUSSCGKSA-N 357.453 5.303 0 1 FKAF O=C(CCc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc(F)cc1 587161984 GFIQRIWEQCPLEU-UHFFFAOYSA-N 360.388 5.310 0 1 FKAF COc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1C 587196432 SQUGUNZDBLYOPQ-UHFFFAOYSA-N 357.457 5.087 0 1 FKAF COc1cccc(-c2cc(/C=C\c3ccco3)nc3c2oc2ccccc23)c1 587367667 YJFNAMKQFKPFNU-QXMHVHEDSA-N 367.404 6.420 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C2CC2)CCC3)c1 587367779 VKXISCZVRPUOOJ-SFHVURJKSA-N 369.464 6.487 0 1 FKAF O=C1C[C@](c2cccc(F)c2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587504744 NEPDAFOVUPTKTE-DEOSSOPVSA-N 373.427 5.009 0 1 FKAF O=C1C[C@@]2(CCCC[C@H]2Nc2ccccc2)Oc2c1ccc1c2CCCC1 587514875 XCTCFRQEZPCTAQ-ISKFKSNPSA-N 361.485 5.324 0 1 FKAF Cc1cc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc2cc1C 587528315 WVGWODNYCVSLIW-HSZRJFAPSA-N 357.453 5.437 0 1 FKAF CCCC[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604293 SEDUDXJTIKYXRH-YOMUGFJLSA-N 352.430 5.083 0 1 FKAF CCCc1c(-c2ccccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627628 GDAIKRXBFZITNE-UHFFFAOYSA-N 372.312 6.220 0 1 FKAF Fc1cc2c(-c3ccccc3F)c(Cc3ccccc3F)[nH]c2cc1Cl 587629354 LMLYETPZWJJNKF-UHFFFAOYSA-N 371.789 6.496 0 1 FKAF C[C@@H](Cc1ccccc1)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820362 OXCPFAUDOANUCU-XEKQOVJPSA-N 362.286 5.042 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCC3(CC2)CC3)N1 587822179 JCKLWZSECZQEGX-DIFFPNOSSA-N 352.291 5.134 0 1 FKAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2c(C)ccc(C)c2s1 587872948 TZTKGCINJOETTJ-UHFFFAOYSA-N 367.449 5.304 0 1 FKAF CC[C@]1(Cc2nc3cc4ccccc4cc3[nH]2)CC(=O)c2ccccc2C1 587960055 KCWFGYNZILCOPI-XMMPIXPASA-N 354.453 5.484 0 1 FKAF Fc1cc2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2cc1C(F)(F)F 587961995 PKQCOJWJOHBTOO-UHFFFAOYSA-N 370.349 5.979 0 1 FKAF C[C@]1(c2ccc(Cl)c(F)c2)NCCc2cc(-c3ccccc3)ccc21 962670487 QZAUFVCLEKUIKI-JOCHJYFZSA-N 351.852 5.555 0 1 FKAF COc1ccc2c(c1)[C@@H](C)[C@@]1(CC2)c2ccc(C(F)(F)F)c3c2CCN31 962698395 HFWZDKBHRMGYGR-ODXCJYRJSA-N 359.391 5.035 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cc3cc(O)ccc3s2)N1 962956540 YIPWKKGYVSJFMK-RCDICMHDSA-N 362.498 5.276 0 1 FKAF Cc1cnc([C@@H](CC(=O)O)c2cc(F)cc(-c3ccccc3F)c2)s1 1772635471 WWDDOZYKSFUMAK-INIZCTEOSA-N 359.397 5.003 0 1 FKAF Oc1noc2cccc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c12 1857651532 KVAIBQQTUBXORG-UHFFFAOYSA-N 362.229 5.315 0 1 FKAF CC1=C2C[C@@]3(C[N@]4C[C@]45CCCC54CCCC4)CC[C@H](C)[C@@]2(CC1)C3(C)C 2356521409 WXPVGYXKHDXKPM-KEKNZTIFSA-N 367.621 6.728 0 1 FKAF C[C@@H]1CC[C@]2(OC1)O[C@@H]1[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]1(C)[C@H]2C 2356596864 UESYKCZNUZXPPR-CKXKTAOXSA-N 374.565 5.366 0 1 FKAF CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3)cccc12 13553473 JBZGTVHEOXDXKQ-UHFFFAOYSA-N 352.909 6.490 0 1 FKAF CCCCC[C@@H]1C[C@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1CCCC(=O)O 25991019 VOEQWJRVRYMVGK-FCBRJNFKSA-N 360.582 6.536 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(O)c(C=O)c1C 33831215 OYFBMJVJPUPJQG-VZRGJMDUSA-N 356.506 6.180 0 1 FKAF biogenic,in-vitro c1ccc(-c2cc([C@@H]3CCC[C@H]3C3=NO[C@@H](c4ccccc4)C3)no2)cc1 45316810 UMNRGIIAUOEACH-DNVFCKCGSA-N 358.441 5.743 0 1 FKAF CCCCCOc1ccc([C@](C)(O)/C=C/[C@H]2C(C)=CCCC2(C)C)cc1 49066593 OGMUENNXEHXDIX-PAVQGLPRSA-N 356.550 6.402 0 1 FKAF CC(C)c1cc(CCC(=O)C[C@@H](O)Cc2ccccc2)cc(C(C)C)c1O 73197869 XUXZULDMSVLPDK-NRFANRHFSA-N 368.517 5.134 0 1 FKAF COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1ccc(Cl)cc1 103232676 BBKFPFLYSQSXTB-HXUWFJFHSA-N 364.828 5.465 0 1 FKAF CCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 169295593 NSMKWGGRWAFJDI-XJMQMAFPSA-N 360.501 5.123 0 1 FKAF CN1CCN([C@H]2C[C@@H](c3ccsc3)c3ccc(Cl)cc32)CC1(C)C 253644975 JUUYXOLEDYTRCB-HKUYNNGSSA-N 360.954 5.004 0 1 FKAF Clc1cc(Br)cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586886047 ZAURMFUOAQHVHK-PRTSGDIISA-N 365.702 5.447 0 1 FKAF c1ccc(Oc2ccc3nc(-c4cccc(-c5ccsc5)c4)[nH]c3c2)cc1 587026811 JRBLZFDAEQFAMA-UHFFFAOYSA-N 368.461 6.751 0 1 FKAF FC(F)(F)c1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1Cl 587031317 DEENVNDIBLAWMW-UHFFFAOYSA-N 358.772 5.036 0 1 FKAF FC(F)(F)Oc1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2cc1Cl 587041996 GKZMWTIPRZQHMS-CQSZACIVSA-N 370.783 5.504 0 1 FKAF Clc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1Cl 587063340 UAAUBAAENOJEOK-UHFFFAOYSA-N 364.619 5.845 0 1 FKAF Cc1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2n1 587072282 QHKJERICPZOZDV-FIOCRVBZSA-N 372.299 5.939 0 1 FKAF CC(C)Oc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587085608 WQQXJIBORKBBBS-UHFFFAOYSA-N 364.836 5.128 0 1 FKAF COc1ccc(-c2nc3cccc(Br)c3[nH]2)c(C(F)(F)F)c1 587095890 YTGCWVKZXUKDAI-UHFFFAOYSA-N 371.156 5.020 0 1 FKAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2F)c1 587143244 NVKAWTVIJBJTBA-UHFFFAOYSA-N 370.786 5.837 0 1 FKAF Fc1ccc(Br)cc1/C=C/c1cc2c3c(cccc3n1)CC2 587210118 FTXFLTPMFFYNLN-SOFGYWHQSA-N 354.222 5.405 0 1 FKAF COc1cc(Br)ccc1C(=O)c1coc2ccc(Cl)cc12 587275489 AUILBIZHUHLIIR-UHFFFAOYSA-N 365.610 5.088 0 1 FKAF CC[C@H](c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587402903 IYPJJBXUCOGODS-PXDATVDWSA-N 371.480 5.632 0 1 FKAF CC(C)=CCC/C(C)=C/C[C@]1(C2CCC2)CC(=O)c2cc(C)cc(N)c2O1 587405325 KKRFVZJQUNZQRF-PMILPSSXSA-N 367.533 6.164 0 1 FKAF CCc1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 587455277 LKOSSWJNNRXZLD-HXOBKFHXSA-N 360.409 5.006 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@](C)(CC)Oc2ccccc21 587484144 RYCWVVBGOYHPIX-PKTZIBPZSA-N 366.457 5.157 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1SCC)CC2=O 587489035 AKVOHBDIZVWKAL-OAQYLSRUSA-N 356.487 5.337 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(CCC1=C(C)CCCC1(C)C)CC2=O 587491325 WPKZLPBOJWIVAQ-XMMPIXPASA-N 370.533 6.375 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cc(C)c(C)cc3n1)CC2=O 587492005 VRTSLHIZJDCDRN-JOCHJYFZSA-N 361.441 5.216 0 1 FKAF O=C1C[C@@H](c2ccc3ccnc(Cl)c3c2)Oc2c1ccc1c2CCCC1 587498498 ITCAEWVFMHZSRX-FQEVSTJZSA-N 363.844 5.474 0 1 FKAF CC(C)Oc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587521728 JRTAQVDTTUOQRG-QHCPKHFHSA-N 350.458 5.233 0 1 FKAF CC1(C)[C@@H](Oc2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526387 VCUQMKCAJBBIIQ-XUZZJYLKSA-N 362.469 5.147 0 1 FKAF CC[C@@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 587526671 WTIHPCSGMYXAQC-ICQDXIDQSA-N 364.529 5.896 0 1 FKAF O=C1C[C@@H](c2ccc(COc3ccccc3)o2)Oc2c1ccc1c2CCCC1 587533245 PBGCGYMJIFYDMY-QHCPKHFHSA-N 374.436 5.444 0 1 FKAF COc1ccc(Cl)cc1NC(=O)c1c(C)[nH]c2ccc(F)c(Cl)c12 587628788 QACXMCBHIDAHKZ-UHFFFAOYSA-N 367.207 5.183 0 1 FKAF CCCc1c(-c2ccc(Br)cc2F)[nH]c2cccc(F)c12 587634768 QRKRTYSSVFGXDZ-UHFFFAOYSA-N 350.206 5.828 0 1 FKAF CC(C)Oc1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587782989 VBLGFNSWWMUBBJ-UHFFFAOYSA-N 374.440 5.302 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2coc3ccccc23)N1 587827568 KOWYKHLZVHNNAG-JEOXALJRSA-N 374.253 5.132 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2cccs2)N1 587853373 QJLWKIMUTNFXCG-YFILSRKMSA-N 366.299 5.113 0 1 FKAF Fc1ccc(-c2csc(COc3cccc(C(F)(F)F)c3)n2)cc1 587922854 YDNKSHAPYWLCDO-UHFFFAOYSA-N 353.340 5.547 0 1 FKAF C[C@@H]1C[C@@H]2[C@H](C[C@]13c1ccsc1CCN3C(N)=O)C(C)(C)CCC2(C)C 962710547 MFMOWXDEGAZEQI-PPSDVSMJSA-N 374.594 5.389 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](C[C@H](C)CCCC(C)(C)OC)N1 962945786 GUVRXOTVVMQHKI-CBGDNZLLSA-N 356.554 5.755 0 1 FKAF CCCn1cc(CNCCc2ccc(-c3ccccc3)cc2)c2ccccc21 1772611100 DEAAJJSCDNEQHJ-UHFFFAOYSA-N 368.524 6.051 0 1 FKAF COc1cccc(Cl)c1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772625984 LGWNVKPJBBCCFU-AWEZNQCLSA-N 373.861 5.079 0 1 FKAF Clc1ccc2c(NCCCC[N@@]3O[C@H]3c3ccccc3)ccnc2c1 1857623874 MMUAXWUXILQCRK-GBXCKJPGSA-N 353.853 5.026 0 1 FKAF O=C(Oc1ccccc1)N1CCC(CCn2ccc3c(F)cccc32)CC1 1857633618 CTTFELXEKCVVDH-UHFFFAOYSA-N 366.436 5.082 0 1 FKAF CCC=CCC=CCC=CC=C[C@@H](O)CC=CCCCCCC(=O)OCC 2356769496 GQFKRRSHKDNBDS-HSZRJFAPSA-N 374.565 6.222 0 1 FKAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCCC 4213763 VYTMIMPCYJIKLC-LEWJYISDSA-N 374.525 5.016 0 1 FKAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCCC 4213764 VYTMIMPCYJIKLC-SFTDATJTSA-N 374.525 5.016 0 1 FKAF CC[C@H](C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2F)c1C 13765054 IYXFYVXZASNRPP-AWEZNQCLSA-N 350.437 5.220 0 1 FKAF COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@H]2OC 14684692 QYAYIWOQUZDATC-AZUAARDMSA-N 368.473 5.424 0 1 FKAF biogenic CC(C)c1cc(-c2ccc(-c3ccc(C(=O)O)cc3)[nH]2)nn1C(C)(C)C 27720272 HEFXSNXDECKUGK-UHFFFAOYSA-N 351.450 5.122 0 1 FKAF N=C(Cc1ccc2ccccc2c1Cl)N1CCC(c2ccccc2)CC1 29467619 XTPDOSLJZDNVAM-UHFFFAOYSA-N 362.904 5.893 0 1 FKAF CCCCCC1=CC(O)=C2[C@@H]3C=C(C)C=C[C@@H]3C(C)(C)O[C@]2(C(=O)O)C1 33903082 YZGCYNMNFASAOK-HYFFOGBASA-N 358.478 5.090 0 1 FKAF biogenic CC(C)C1=C[C@]2(CC[C@](C)(NC(=O)NCCc3ccccc3)C2)[C@@H](C)CC1 35067175 IRQHDWSBLUHZPI-IGKWTDBASA-N 368.565 5.470 0 1 FKAF biogenic COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3Cl)O[C@H]2C)c(OC)c1 35825868 CNLAPZPTMSMSFU-YARKZXGKSA-N 367.272 5.644 0 1 FKAF c1ccc2sc(Oc3ccc(OCCCN4CCCCC4)cc3)nc2c1 40413869 PWXUWRGUUIWKNG-UHFFFAOYSA-N 368.502 5.343 0 1 FKAF CCCCN(C)CCOc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1 40880965 JAYNPQWBDQJHAA-UHFFFAOYSA-N 374.484 5.759 0 1 FKAF COc1ccc(C(=O)c2cc3ccc(OC)cc3cc2-c2cccnc2)cc1 40955698 JJYZPQPWGFYPLY-UHFFFAOYSA-N 369.420 5.150 0 1 FKAF Cc1ccc(C[C@]2(/C=C/c3ccccc3)CCc3ccccc3[C@H]2O)cc1 71342081 GOQBRVPIIFWKRS-WDJSDFQHSA-N 354.493 5.917 0 1 FKAF CC(=O)Oc1ccc(O)c(C[C@@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@]23C)c1O 85950200 LISRCGYCVNHXKP-DHJUGAMNSA-N 372.505 5.364 0 1 FKAF biogenic Cc1cc(Br)c2[nH]c([C@@H](C)SCc3ccccc3)nc2c1 586964315 XRFAJVPCBWGEAZ-GFCCVEGCSA-N 361.308 5.628 0 1 FKAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cccc(Cl)c2[nH]1 587192027 QOLLWMPTDLRILD-KRWDZBQOSA-N 371.868 5.173 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1sccc1C)O2 587411172 RODBPLQHKXNPKC-QFIPXVFZSA-N 363.482 5.051 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccccc1C(C)C)[C@@H](C2)C3=O 587430296 GJQNQPMWZIJJPL-UUOWRZLLSA-N 373.452 5.098 0 1 FKAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(Oc4ccccc4)c1)[C@@H](C2)C3=O 587443431 QJSIAGSKVNLISG-RDPSFJRHSA-N 372.420 5.150 0 1 FKAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(C1CCCCC1)[C@@H](C2)C3=O 587446177 UVMFQLFSZQYCTA-RDPSFJRHSA-N 362.469 5.004 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc([C@H]3CCCCO3)s1)CC2=O 587493813 HYVPCVLESWNIMZ-QZTJIDSGSA-N 372.486 5.354 0 1 FKAF O=C1C[C@@H](c2ccccc2-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587508578 PZQLPTCBFGSVPI-DEOSSOPVSA-N 372.439 6.078 0 1 FKAF CCn1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C)cn1 587628255 QEAQMUIISGIAEL-UHFFFAOYSA-N 361.289 5.397 0 1 FKAF CCCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(F)c(Cl)c12 587628340 LDPKWEYGCNPBFE-UHFFFAOYSA-N 356.655 6.887 0 1 FKAF CCOC(=O)c1c(-c2ccc(F)c(C)c2)[nH]c2ccc([C@@H](C)CC)cc12 587641842 KJFHGNZEVBXJFS-ZDUSSCGKSA-N 353.437 5.973 0 1 FKAF CC/C=C\CCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817491 CPPGGYVVUCDNLB-DSLFPGPSSA-N 368.334 6.080 0 1 FKAF CC[C@@H]1CC[C@H](C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587823682 QYNSVMVFTHGNGT-NMFBSDBYSA-N 354.307 5.164 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CC1CCCC1 587858942 QKJAEFVVDIKIRL-UHFFFAOYSA-N 367.276 5.476 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccsc1 587861206 NDYSZZBDYLKSMJ-UHFFFAOYSA-N 367.257 5.006 0 1 FKAF COc1ccc(C2(c3nc4cc(Cl)cc(C)c4[nH]3)CC3(CCC3)C2)cc1 587934172 BUBVAARAQDXKKT-UHFFFAOYSA-N 366.892 5.784 0 1 FKAF CCc1ccc(C(=O)CCc2nc3cc(C)cc(Br)c3[nH]2)cc1 587954887 BUWQMUACPIJUCP-UHFFFAOYSA-N 371.278 5.012 0 1 FKAF Cc1sc2c(c1C)CCN[C@H]2c1c(-c2ccccc2)[nH]c2c(C)cccc12 963011265 OUVKGUHOVMHQAW-QHCPKHFHSA-N 372.537 6.057 0 1 FKAF O=C(Nc1cc(C(F)(F)F)ccc1NC1CCCCC1)c1cccnc1 1772580525 NQEAETADZJOYGD-UHFFFAOYSA-N 363.383 5.097 0 1 FKAF Cc1nc2ccccc2c(-c2ccccc2F)c1[C@@H](OC(C)(C)C)C(=O)O 1857656597 FIMJQYJRKPSWNY-HXUWFJFHSA-N 367.420 5.290 0 1 FKAF CC(=O)Nc1cccc(-c2nc3ccccc3n2Cc2ccc(C)cc2)c1 2382225505 ZINHNKSKNXKVRC-UHFFFAOYSA-N 355.441 5.018 0 1 FKAF CCCc1nc2c(C)cc(Br)cn2c1Cc1cccc(F)c1 72138254 NQCULMMFVNBKME-UHFFFAOYSA-N 361.258 5.088 0 3 FKAF CC1(C)OC(=S)Nc2ccc(-c3cc(F)cc(Br)c3)cc21 13488851 BUGHELVCJWKCPY-UHFFFAOYSA-N 366.255 5.217 0 1 FKAF c1ccc(CNc2nc3ccccc3c3cn(-c4ccccc4)nc23)cc1 13672207 FDAGQFXWOKXHTR-UHFFFAOYSA-N 350.425 5.186 0 1 FKAF C[C@@H]1CC=C[C@H]2[C@@H](c3ccc4ccccc4c3)N(Cc3ccccc3)C(=O)[C@H]12 13829854 RBOGTOKHHDCLPU-XPNIBREUSA-N 367.492 5.752 0 1 FKAF C[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13863312 JGPZDCPWUMWMJI-SFHVURJKSA-N 360.457 5.574 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCCC 27726338 LLSIFHDREVFSBI-SNPVRQPZSA-N 373.625 7.439 0 1 FKAF O=C1O/C(=C\c2cccc(C(F)(F)F)c2)C(O)=C1c1ccc(Cl)cc1 28565681 KUMXUKRGRLDNSS-ZROIWOOFSA-N 366.722 5.226 0 1 FKAF CCCCC(=O)c1c[nH]c2ccc(Cc3ccc4ccccc4c3)cc2c1=O 45497643 OKOKWNYOLUGIGN-UHFFFAOYSA-N 369.464 5.645 0 1 FKAF CC(=O)O[C@@H]1CC[C@H](CCCCCCCCCCCC[C@H](C)O)N[C@@H]1C 84153989 RNRUHRONLFGPJY-YUVXSKOASA-N 369.590 5.121 0 1 FKAF biogenic,in-vitro Clc1ccc(CO[C@]2(c3ccc(Cl)cc3)C[C@@H]3CC[C@H](C2)N3)cc1 101300628 MHCNDBUONARPSD-PMOLBWCYSA-N 362.300 5.320 0 1 FKAF O=C(Nc1nc2c(ccc3ccccc32)s1)Nc1ccccc1Cl 103293626 MLFIEKGCPKQYRK-UHFFFAOYSA-N 353.834 5.747 0 1 FKAF Cc1ccc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)o1 104090108 HHZGOLWMSVOQLZ-NRFANRHFSA-N 350.462 6.076 0 1 FKAF Cc1ccc(/C=C\C2=C[C@]3(C)C[C@@]2(C)[C@@H](c2ccc(C)cc2)CC3=O)cc1 169355476 VNDABGLWEBDVEO-GKJUCMPNSA-N 356.509 6.416 0 1 FKAF C/C(=C/CO)CC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 238763820 QVAALZYWZYXTTP-KPUOVGSTSA-N 364.658 8.091 0 1 FKAF COc1cc(/C=C/c2nc3ccc(Cl)cc3[nH]2)ccc1Br 586977925 VQZKADXKMSGEDJ-XVNBXDOJSA-N 363.642 5.158 0 1 FKAF Cc1nc(COc2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)cs1 587020390 QTUCEPBVOLWCBZ-UHFFFAOYSA-N 372.453 5.122 0 1 FKAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587027366 BPFDEPRYUONUAR-UHFFFAOYSA-N 372.453 5.782 0 1 FKAF Cc1ccc2c3c(cc(CCC4CCCCC4)nc13)-c1ccccc1C2=O 587099723 UDHPYQGABKYVSQ-UHFFFAOYSA-N 355.481 6.268 0 1 FKAF Cc1ccc2c3c(c4c(nc13)C=CC1(CCCCC1)C4)-c1ccccc1C2=O 587102307 ZZKUWFLJRKQNPL-UHFFFAOYSA-N 365.476 6.274 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587153507 SUYDPVITHVSPIG-UHFFFAOYSA-N 358.750 5.968 0 1 FKAF COc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OCc1ccccc1 587213388 HZVYVNHMVFPGEK-UHFFFAOYSA-N 367.448 5.588 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@](C)(C(C)C)C3)c1 587364685 AJWTXWKSFHEIAS-VWLOTQADSA-N 371.480 6.418 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc(C)cc(C)c4)cc1)[C@@H](C2)C3=O 587445952 QLUROSTVGKCASZ-OFVILXPXSA-N 370.448 5.468 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3cccc(Cl)c31)CC2=O 587461609 NOJFAUKZLOYJGB-OAQYLSRUSA-N 356.849 5.195 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc([C@H](C)OCC)cc1)CC2=O 587478847 HJQUZPHPLJEUPA-WNSKOXEYSA-N 368.473 5.323 0 1 FKAF COc1ccc([C@H]2C[C@@H]2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526965 TVYRKAUEOAUXGF-DPLHUUCSSA-N 362.469 5.102 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(OCc3ccccc3)c2c1 587642414 NLMFKLAUNGOPNQ-QGZVFWFLSA-N 373.471 7.067 0 1 FKAF O=C(Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)OCc1ccccc1 587782962 UFLYVTLMFCTYPB-UHFFFAOYSA-N 374.465 5.000 0 1 FKAF CCCC1CCC([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587818404 CYQSKLYACCQOHL-WBICIVBESA-N 368.334 5.770 0 1 FKAF CC/C=C\CC/C=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820031 NWJCGHLIYLDQQG-WEIVAWQCSA-N 352.291 5.466 0 1 FKAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Cl)cn1 587864051 BRUCPMRHJFKBBE-UHFFFAOYSA-N 367.758 5.005 0 1 FKAF Fc1cc(C(F)(F)F)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 587951850 UDXITOKHGFPVDC-UHFFFAOYSA-N 350.315 5.319 0 1 FKAF CCC[C@H](c1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(C)C 587955292 MNACWSPMARKNSV-LBPRGKRZSA-N 353.304 5.652 0 1 FKAF C[C@]1([C@@H]2C[C@@H]2c2ccc(Cl)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963114515 VMHWOMJKJLBIGD-JYLXEMOASA-N 355.884 5.519 0 1 FKAF O=C(CN1CCC(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 1857536873 SUFNKSAAHDOQMK-UHFFFAOYSA-N 369.508 5.491 0 1 FKAF Clc1ccc2nc(N3CCc4c([nH]c5ccc(Cl)cc45)C3)sc2c1 1857570263 XJFGXVMROIIITL-UHFFFAOYSA-N 374.296 5.647 0 1 FKAF CC[P@@](=O)(OC)c1ccc2oc(-c3cccc(C(F)(F)F)c3)nc2c1 1911570580 GIJPBJLOHMBSSM-RUZDIDTESA-N 369.279 5.083 0 1 FKAF O=C(O)CCCCCCCCCC1=C(c2ccccc2)[C@@H]2CC[C@@H](O)[C@@H]2C1 1911574749 XHGQPWNEKVEEHF-YPAWHYETSA-N 370.533 5.827 0 1 FKAF CNC[C@@H]1C[N@@]1C[C@@]12CC3=C(C)CC[C@@]3([C@@H](C)CC13CCCC3)C2(C)C 2356492086 WRAPTTSOOBLOEP-CCKVPVMXSA-N 356.598 5.003 0 1 FKAF CC(=O)CCCCCCCCCCCCCCCCC[C@H](O)C=C(C)C 2356691722 VCVPNFYTLOKZAW-DEOSSOPVSA-N 366.630 7.534 0 1 FKAF CC(C)=CCCC(C)=CCC[C@@]1(C)C=Cc2c(O)cc(C)c(C=O)c2O1 2356855334 RCHWWARHYWHVOJ-QHCPKHFHSA-N 354.490 6.150 0 1 FKAF Cc1cc(Cl)ccc1[C@@H](O)c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 61929177 CJEHVFDOGIJZJE-MRXNPFEDSA-N 366.770 5.139 0 3 FKAF COP(=O)(C[P@@](=O)(OC)OCC[C@H](C)CCC=C(C)C)OC 1862117 WHBJOLUMANAQER-JLCFBVMHSA-N 356.336 5.059 0 1 FKAF CCc1ccc(CC[C@@H]2CCC(C)(C)[C@H](OC)[C@H]2Cn2ccnc2)cc1 3803303 LTTNGEQHWMFQKH-BHIFYINESA-N 354.538 5.146 0 1 FKAF NCCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2 13801231 ZKQCXLRXJGGZDE-UHFFFAOYSA-N 353.554 5.605 0 1 FKAF CCN(CC)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21 26579738 NIIGXDSCJHJWSY-KXBFYZLASA-N 350.289 5.618 0 1 FKAF in-vivo Cc1c(Nc2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)O 29463220 IMZOZYVKXLRIIM-UHFFFAOYSA-N 372.399 5.791 0 1 FKAF CC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ccc(C=O)cc12 29479642 DHEJWQWXCDLHQN-UHFFFAOYSA-N 355.393 5.011 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CCCC[C@H]1CC3 33820839 YBWPFLHAFLZVCE-OPZPEFFGSA-N 358.566 6.601 0 1 FKAF COc1c(CC=C(C)C)c(O)cc(/C=C/c2ccccc2)c1CC=C(C)C 40395651 ZMMOCDBCJOUFDQ-BUHFOSPRSA-N 362.513 6.589 0 1 FKAF CC(C)Oc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C 45358375 GSYNLOXVHRSZGO-UHFFFAOYSA-N 364.489 5.555 0 1 FKAF Clc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(Cl)cc2)cc1 66100620 FQHCMJGVOMGZJD-WOJBJXKFSA-N 363.332 5.184 0 1 FKAF CCOc1ccccc1CNc1cc(Oc2ccc3ccccc3c2)ncn1 82068266 AKGBVMUUSIIMBK-UHFFFAOYSA-N 371.440 5.433 0 1 FKAF [C-]#[N+]c1c[nH]c2ccnc(Oc3ccc(-c4c(C)ncnc4C)c(C)c3)c12 169705962 VFOYYAPDHPQYPC-UHFFFAOYSA-N 355.401 5.288 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 586882203 VPDRKNMBJPTXCC-UHFFFAOYSA-N 368.790 5.380 0 1 FKAF Cc1cc(Br)cc2nc([C@@H](C)SCc3ccccc3)[nH]c12 586964346 YMTXPJSFNCXGQZ-GFCCVEGCSA-N 361.308 5.628 0 1 FKAF COc1cc(/C=C/c2nc3c(C)ccc(C)c3[nH]2)ccc1Br 586975975 HPWZHLKADOTPDV-VQHVLOKHSA-N 357.251 5.121 0 1 FKAF CCc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2c1 587031518 SIBNQQFZHULERF-AWEZNQCLSA-N 361.514 6.084 0 1 FKAF Clc1ccc(Cl)c(-c2ccc(-c3nc4c(Cl)nccc4[nH]3)o2)c1 587051176 PFFDSKBWNRBORX-UHFFFAOYSA-N 364.619 5.845 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2n1 587075395 COLGNTINYYLOLR-UHFFFAOYSA-N 362.864 5.638 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(O)c4ncccc34)nc3cccc1c23 587105700 FDRJZLNTFWMRBT-UHFFFAOYSA-N 374.399 5.367 0 1 FKAF FC(F)Oc1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1 587131058 WCXZHGPFFAYEOJ-UHFFFAOYSA-N 362.685 5.504 0 1 FKAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(C(C)(C)C)cc2[nH]1)C(C)(C)C 587206626 XDLXABXCSUAHIE-QGZVFWFLSA-N 373.541 5.342 0 1 FKAF CC[C@@]1(c2cc(C(F)(F)F)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 587382715 RFBMJTZOGIGBDD-SFHVURJKSA-N 367.342 5.006 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](Cc1ccc(C(C)(C)C)cc1)CC2=O 587476723 AOULJVSRQQSJQH-KRWDZBQOSA-N 352.474 5.219 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1c1ccc(C)cc1)CC2=O 587481665 NHQMIAVRGRTHAV-CVDCTZTESA-N 350.458 5.325 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCCSc3ccccc31)CC2=O 587494079 HYJSXNZMBCPZRQ-NRFANRHFSA-N 354.471 5.091 0 1 FKAF O=C1C[C@](c2cccc(Cl)c2F)(C2CC2)Oc2c1ccc1c2CCCC1 587504707 NCMKPTQEUKVSES-JOCHJYFZSA-N 370.851 5.629 0 1 FKAF O=C1C[C@@H](CCc2ccc3cnccc3c2)Oc2c1ccc1c2CCCC1 587514143 GUQYYEIIQVXSLI-HXUWFJFHSA-N 357.453 5.080 0 1 FKAF Cc1c(Cl)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546453 QVVCVEANPNXECF-NQIIRXRSSA-N 366.800 5.057 0 1 FKAF Cc1c(-c2cc(F)ccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622357 LTASPPHPTPAPLZ-UHFFFAOYSA-N 362.177 5.060 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCCCCCCCC2)N1 587816817 DNFAOUHYRQKUDP-AWEZNQCLSA-N 368.334 5.842 0 1 FKAF Oc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3cccc(O)c3)n2)cc1 1772602742 WUPAMHYRKKXOGF-UHFFFAOYSA-N 373.839 6.147 0 1 FKAF NCCCNCCCNCCC1CCCCCCCCCCCCCC1 1772637303 MSPGFGUVJZWHOQ-UHFFFAOYSA-N 367.666 5.386 0 1 FKAF COc1ccc(C(C)C)cc1-c1cnc(N)c(-c2ccc(F)c(Cl)c2)c1 1857595417 FMRIZLJMUKTNPR-UHFFFAOYSA-N 370.855 5.922 0 1 FKAF CC=Cc1cc(C)ccc1C(C)=CC(C)=CCCC[C@@H](O)CNC(C)=O 2356643322 OZKSAMXSQQCGQT-JOCHJYFZSA-N 355.522 5.045 0 1 FKAF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2C(C)=O)C1 2356664053 FLRSLUQBFCJCGO-NTNVJIBLSA-N 362.554 5.223 0 1 FKAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(OC(=O)c2ccccc2)cc1 2382259983 XZOCXPSZLAPYPO-UHFFFAOYSA-N 366.804 5.203 0 1 FKAF Fc1ccc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1 1653541 ODZRGIABKXFAMY-UHFFFAOYSA-N 364.807 5.668 0 1 FKAF C=C(c1ccccc1OCCc1ccc(Cl)cc1Cl)n1ccnc1 28765704 RIQZKQIXEVJOFK-UHFFFAOYSA-N 359.256 5.330 0 1 FKAF Cn1c(-c2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1Cl 29042507 VGOLVRGGNCUZHH-UHFFFAOYSA-N 373.070 5.763 0 1 FKAF Clc1ccc([C@@H](CCOc2ccccc2)Cn2ccnc2)c(Cl)c1 33493832 TWMDQMMTLSPOEZ-HNNXBMFYSA-N 361.272 5.443 0 1 FKAF COc1cc2c(cc1O)O[C@@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1[C@@H]2OC 36399539 JAGJWSBNJZPDNL-FCSJJDFTSA-N 374.521 5.482 0 1 FKAF in-vivo O=C(O)c1cccc2c3c(n(Cc4ccc(C(F)(F)F)cc4)c12)CCCC3 38424326 OMKNZICSDDEFFV-UHFFFAOYSA-N 373.374 5.285 0 1 FKAF Cc1cc2c(cc1Cc1ccc(C(=O)O)cc1F)C(C)(C)CCC2(C)C 45299198 JLOLISLIYVSIJM-UHFFFAOYSA-N 354.465 5.772 0 1 FKAF Cc1ccc2nc(SCc3ccccc3)n(Cc3ccccc3)c(=O)c2c1 49069528 OPBQEOYYENZZMG-UHFFFAOYSA-N 372.493 5.046 0 1 FKAF Oc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3Cl)C2)cc1 49109525 CPFFKDKUQAVLKM-NRFANRHFSA-N 365.885 6.404 0 1 FKAF C[C@@H]1C[C@H](NCc2coc(-c3ccc(C(C)(C)C)cc3)n2)CC(C)(C)C1 72183416 RZPBXQGJNXXEOS-APWZRJJASA-N 354.538 5.944 0 1 FKAF Cc1cnc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccccc2C)o1 82177198 RFOQMKIADDVRPM-HNAYVOBHSA-N 362.477 5.406 0 1 FKAF C1=CN2C(=NC3=C(CCC/C3=C\c3cccs3)[C@@H]2c2cccs2)S1 102973963 DSKUFLMIVNWNEB-QFQMRYFISA-N 368.552 6.262 0 1 FKAF c1ccc(C(CNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 103229509 PBORQYFUYBFWPY-UHFFFAOYSA-N 363.504 6.198 0 1 FKAF Cc1cc2c(cc1C)N[C@H](c1cccs1)C1=C(O)CC(C)(C)CC1=N2 104702311 UYQUALJFVHZECY-HXUWFJFHSA-N 352.503 6.236 0 1 FKAF C1=NC[C@H](C23C[C@H]4C[C@@H](CC(C5CCCC5)(C4)C2)C3)N1C1CCCCC1 169327572 ZPGJPEKCKGPNDY-GINFHZKPSA-N 354.582 5.808 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(CO)ccc4[nH]3)c21 587030672 ISLSEXUTBALEFM-ZDUSSCGKSA-N 363.486 5.014 0 1 FKAF Cc1cc(Cl)cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587062651 IBYZFLCMWLRYAE-UHFFFAOYSA-N 367.279 6.436 0 1 FKAF Fc1cc(C(F)(F)F)ccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587109344 MOCAQKDDBVWVJS-UHFFFAOYSA-N 350.102 5.090 0 1 FKAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Cl)cnc3[nH]2)cc1F 587151680 SUVVDPYRIFFNAC-QGZVFWFLSA-N 371.774 5.058 0 1 FKAF Cc1cc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2cc1F 587247911 XNCNOGNVQDKTML-UHFFFAOYSA-N 361.420 5.425 0 1 FKAF CCCC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501407 OFGRAYJBHJINCV-QHCPKHFHSA-N 368.904 6.270 0 1 FKAF C[C@@]1(c2c[nH]cc2-c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521389 BFGPTRCSKVQKKF-DEOSSOPVSA-N 357.453 5.441 0 1 FKAF CCOC(=O)c1c(-c2ccc(F)c(F)c2)[nH]c2cc(Cl)c(F)cc12 587629523 UCONKPMSIUPDPL-UHFFFAOYSA-N 353.727 5.082 0 1 FKAF Fc1cccc2[nH]c(-c3ccc(Br)cc3)c(-c3ccccc3)c12 587632772 PHZJNWMJQSHJBH-UHFFFAOYSA-N 366.233 6.404 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H](C)c2ccccc2)N1 587817441 CBOFSXOTDJRSSQ-VPZZIHKRSA-N 362.286 5.357 0 1 FKAF Cc1cccc2c1[C@H](C)C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587818340 QQGZQVDGTWVFCV-IZDJOXEWSA-N 374.297 5.182 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2Cl)N1 587848061 ZDCVGIZIHMYICT-ANRSDYALSA-N 374.706 5.101 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3cccc(C(C)(C)C)c3[nH]2)cc1 587935219 HEMWGUKUXVBJBQ-QFIPXVFZSA-N 370.496 6.049 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2c1 587960368 BAFUGJDFTWOQJW-UHFFFAOYSA-N 370.349 5.979 0 1 FKAF C[C@@]1(c2cnn(C3CCCC3)c2)NCCc2cc(-c3ccccc3)ccc21 962670548 RTUGCPRONXPZDR-DEOSSOPVSA-N 357.501 5.074 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1c(F)ccc(Cl)c1Cl 963105296 MBMCRGZUORZRGW-KZULUSFZSA-N 354.227 5.382 0 1 FKAF Cc1nc2ccc(-c3ccc(F)cc3)cc2c(=O)n1-c1cccc(Cl)c1 1857555036 MSXXWVYCOVVISQ-UHFFFAOYSA-N 364.807 5.154 0 1 FKAF O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCCCC2)s1 1911576978 MWIFVYBIHMIYGR-UHFFFAOYSA-N 368.424 5.005 0 1 FKAF Cc1cc(N2CCCCC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12 3648819 RPWUBFVSFLXRCB-UHFFFAOYSA-N 365.521 5.298 0 1 FKAF CSc1ccccc1-c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1 8536366 WEIMNUYTUJXDSU-UHFFFAOYSA-N 361.445 5.667 0 1 FKAF Cc1cccc(Cn2nc(-c3ccc(Cl)cc3Cl)[nH]c2=S)c1 13536887 DJRHRGVREWWGOM-UHFFFAOYSA-N 350.274 5.271 0 1 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(F)cc1)Oc1ccccc1-3 13777091 GZVGUQWAUCAVDI-XMMPIXPASA-N 371.455 6.582 0 1 FKAF CCCCOc1c(Cl)c(OC)nc(C(Cl)(Cl)Cl)c1Cl 26019882 UKYLGSCNJDQDTF-UHFFFAOYSA-N 367.487 5.403 0 1 FKAF Cc1cc(-c2ccc(O)cc2)c2ncc(CSCCc3ccccc3)n2c1 28877394 BRJVOCOOYMMNOZ-UHFFFAOYSA-N 374.509 5.491 0 1 FKAF O=C(O)c1ccc2c(c1)[C@@H]1CCCOc3ccccc3C1=C2C1CCCCC1 36350485 NNDCTQKILRJYQE-SFHVURJKSA-N 374.480 6.146 0 1 FKAF C[C@H](CNc1cc(Oc2cccc3ccccc23)ncn1)c1ccccc1 82068425 GILRQYAVGJOQDD-QGZVFWFLSA-N 355.441 5.638 0 1 FKAF Cc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccccc2)oc1C 82162537 KEAMIPMNIKYWKF-LIRRHRJNSA-N 362.477 5.406 0 1 FKAF CCCCc1ncc(CCCCCC(=O)O)n1Cc1ccccc1Cl 84544196 UCKCSWIPVSVGQY-UHFFFAOYSA-N 362.901 5.115 0 1 FKAF CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)C(=O)NCC(=O)O 85589946 ILSMDNVBZYGMDG-CEXWTWQISA-N 355.563 5.262 0 1 FKAF endogenous,in-man CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](CC[C@@]3(C)O)C(C)=CC[C@H]12 86031486 JNYWQVTXIGGOTC-YJDHUAHGSA-N 358.610 6.919 0 1 FKAF biogenic CCC/C=C/c1cc2c(cc1N)N[C@@H](CC(C)C)C(=O)N(CCC(C)C)C2 95584206 ODKOKMUXZRBJCF-UVIRAJKCSA-N 371.569 5.297 0 1 FKAF CCO[C@@H]1C[C@@H](c2ccccc2)Oc2cc3c(c(OC)c21)C=CC(C)(C)O3 95910402 JUEHBQGSIXIHCE-PKOBYXMFSA-N 366.457 5.481 0 1 FKAF biogenic,in-vitro CCCC[C@H](CC)[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 169316716 KCOVIXLDRHLDSU-RAEHLHBMSA-N 366.542 5.140 0 1 FKAF O=N[C@H](c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl 169689427 MPBLXLNMZFKGLF-LLVKDONJSA-N 369.557 5.916 0 1 FKAF COc1ccc(-c2csc(Nc3cccc(SC)c3)n2)c(OC)c1 201735398 UNIPPQWMQFWAGV-UHFFFAOYSA-N 358.488 5.293 0 1 FKAF C/C(Cl)=C/CN1CC[C@@]2(c3ccccc3)c3cc(O)ccc3C[C@H]1[C@@H]2C 221661086 PYBFPILFWVWSMG-JWJWHUHPSA-N 367.920 5.087 0 1 FKAF CCCCC[C@H](O)/C=C/[C@@H]1C[C@H]2C[C@@H](S2)[C@@H]1C/C=C\CCCC(=O)O 328577328 OVGWMUWIRHGGJP-BRSNVKEHSA-N 366.567 5.195 0 1 FKAF in-vitro Oc1ccc(-c2cccc(-c3nc4ccc(Br)cc4[nH]3)c2)cc1 586898994 PVACJKDRVFHUOV-UHFFFAOYSA-N 365.230 5.365 0 1 FKAF Cc1ccccc1-c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586991586 PMHNQDWFIROLAI-UHFFFAOYSA-N 351.405 5.436 0 1 FKAF Cc1sccc1-c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586994573 WYLHABXZGXWKHQ-UHFFFAOYSA-N 357.434 5.497 0 1 FKAF Cc1c(Cl)ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587033407 UPCJGAUQNYQALS-UHFFFAOYSA-N 353.878 5.533 0 1 FKAF CCc1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587124322 VSQKECJOMQSURT-UHFFFAOYSA-N 366.408 5.457 0 1 FKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)cnc3[nH]2)cc1F 587151678 SUVVDPYRIFFNAC-KRWDZBQOSA-N 371.774 5.058 0 1 FKAF C=C=C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349335 BPLLGNORAYHWIQ-KNQAVFIVSA-N 352.405 5.016 0 1 FKAF CC[C@H](C)[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353160 OAKCJEHDYJBFHI-HKTKAPNTSA-N 368.448 5.475 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccccc3)c(C)c1)O2 587397785 BEWPYYIUHGMPGA-HSZRJFAPSA-N 373.452 5.171 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCC)CC2=O 587460436 GCWLYQMZTUUEKP-LJQANCHMSA-N 360.837 5.103 0 1 FKAF C[C@H]1Cc2ccc(Cl)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587504581 WZVDFAREQOWKGW-XMHCIUCPSA-N 352.861 5.272 0 1 FKAF O=C1C[C@H](c2cccc(C(F)(F)F)c2F)Oc2c1ccc1c2CCCC1 587510604 WIRYXMNUXUIPPD-QGZVFWFLSA-N 364.338 5.430 0 1 FKAF CCOc1nc2ccccc2cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523119 GNKKXRDQUZYTTL-QFIPXVFZSA-N 373.452 5.219 0 1 FKAF CO[C@H](C)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523722 OZQIUCCEFATQQO-CMJOXMDJSA-N 350.458 5.153 0 1 FKAF Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2Sc2ccccc2)cc1 587630887 SEFDHZSKAJDNNP-UHFFFAOYSA-N 371.839 6.918 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c([C@@H](C)C(=O)O)c2c1 587642117 OTQIJMBGTJDWIS-CHWSQXEVSA-N 355.865 6.190 0 1 FKAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cccc(Cl)c2[nH]1 587782209 IRZIWFMMUNADAY-UHFFFAOYSA-N 350.805 5.168 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cs2)N1 587844874 CJWLQNBLYABWHL-ANRSDYALSA-N 374.706 5.101 0 1 FKAF CC/C(=C\c1nc2cc(Br)c(C)nc2[nH]1)c1ccc(C)cc1 587965949 DVYQILVXTNGJBW-UKTHLTGXSA-N 356.267 5.288 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1ccc(Cl)cc1C(F)(F)F 963096221 MNKAXGTXAKLLMH-KSSFIOAISA-N 369.789 5.608 0 1 FKAF COc1ccc2cc([C@H]3NCCc4c(Cl)cc(Cl)cc43)ccc2c1 963113551 RMRGQTAIDYJEHU-HXUWFJFHSA-N 358.268 5.390 0 1 FKAF O=Cc1cc2ccccc2c([C@H]2NCCc3cc(Cl)ccc32)c1Cl 963390584 KWPQWKXVNWPWCD-FQEVSTJZSA-N 356.252 5.194 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](C)(O)CC[C@@]43C)C1=CC=C2c1cccnc1 1772585169 FFRRMTGITZKOSB-YYEMOFONSA-N 363.545 5.789 0 1 FKAF COc1c([C@@H](CC(C)C)OC(C)=O)ccc2oc3c(C=O)cc(C)cc3c12 2356803535 XFDOVRAXXFIUNS-LJQANCHMSA-N 368.429 5.366 0 1 FKAF CC1(C)C[C@@H](Cc2cccc(C(F)(F)F)c2)N(C(=O)OC(C)(C)C)C1 61921054 NCULFWVXMCNCLQ-OAHLLOKOSA-N 357.416 5.284 0 3 FKAF CCCCNC(=O)c1nc(-c2cccs2)oc1-c1ccc(Cl)cc1 95602705 YWNXLUDSQABYLO-UHFFFAOYSA-N 360.866 5.253 0 3 FKAF O=C(O)Cc1ccccc1Oc1c(Cl)cc(Cl)c(Cl)c1Cl 28768464 YRHXYCBENKBRSF-UHFFFAOYSA-N 366.027 5.720 0 1 FKAF Cc1ccccc1C[C@H](Cc1ccc(-c2ccccc2)cc1)n1ccnc1 32090114 FLMGBBBLMSRRNE-VWLOTQADSA-N 352.481 5.885 0 1 FKAF O=C(c1ccc(Cl)cc1)N1CC[C@@H]2C[C@H]1c1cc(-c3ccccc3)ccc12 61942463 HPTURIHUUJWJEK-XXBNENTESA-N 373.883 6.082 0 1 FKAF COC(=O)c1cc2c(c(CC=C(C)C)c1)O[C@@](C)(CCC=C(C)C)C=C2 84153796 ZMYVPUKCYGOUAE-QHCPKHFHSA-N 354.490 5.893 0 1 FKAF biogenic,in-vitro C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=C\c1ccccn1 84727324 ZGKMHXLKQIRPQA-YLNQTPLRSA-N 363.545 5.789 0 1 FKAF O=C(Nc1ccccc1)Nc1cccnc1Oc1cccc(C(F)(F)F)c1 95591529 JLXWMNILSGEZEV-UHFFFAOYSA-N 373.334 5.537 0 1 FKAF CC(C)c1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1 95597918 LGZFNUULAZCXCA-QHCPKHFHSA-N 360.453 5.552 0 1 FKAF in-vitro Cc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 113657582 LJBPADJHDSNGPA-UHFFFAOYSA-N 353.469 5.315 0 1 FKAF CO[C@@H]1C[C@H]2[C@@H]3CC=C(n4ccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@]312 203685937 UEVQTGRVYPBALF-KWHDOTOPSA-N 352.522 5.002 0 1 FKAF Cc1nc(N[C@H](C)c2cccc(N)c2)cc(-c2ccc3occ(C)c3c2)n1 205332401 BXMOGWDGMRUMLO-CQSZACIVSA-N 358.445 5.262 0 1 FKAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(F)ccc2[nH]1 586980923 HBSGQDOZERCGAH-UHFFFAOYSA-N 370.225 5.231 0 1 FKAF Cc1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1C 587015947 ZTDAJAPKCRHGPL-UHFFFAOYSA-N 374.296 6.277 0 1 FKAF Fc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c(F)c1F 587051931 VNLSPPSFWTUNBI-BQBZGAKWSA-N 357.162 5.558 0 1 FKAF Oc1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 587060196 FJMUKFRHCYLTBV-UHFFFAOYSA-N 371.827 5.804 0 1 FKAF COc1cccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 587067682 KNKUBWHRIXGAHK-UHFFFAOYSA-N 364.832 5.051 0 1 FKAF COC(=O)c1ccc(Oc2ccc3nc(C4(F)CCCCC4)[nH]c3c2)cc1 587131777 CKAFOARNRGTFIC-UHFFFAOYSA-N 368.408 5.271 0 1 FKAF COc1ccc2cc([C@H](C)C(=O)c3coc4ccc(Cl)cc34)ccc2c1 587278677 QXZWMGYUDSXJCI-ZDUSSCGKSA-N 364.828 6.234 0 1 FKAF Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2cc(Cl)ccc21 587501608 PKXFAEUJXCDHQZ-NRFANRHFSA-N 365.860 5.417 0 1 FKAF O=C1C[C@@H](c2cccc(C(=O)C3CCC3)c2)Oc2c1ccc1c2CCCC1 587522714 GNWVCSFOAJMCMO-QFIPXVFZSA-N 360.453 5.255 0 1 FKAF CC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCCCC1 587600922 DBXFNGOSJUSBJJ-GHTZIAJQSA-N 352.430 5.083 0 1 FKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccncc1 587627570 CWSVAMBAFMFXIJ-UHFFFAOYSA-N 372.268 5.140 0 1 FKAF Cc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C)ccc1Br 587627574 DDDAXAUSPYQAQH-UHFFFAOYSA-N 352.634 6.007 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)Nc1cccc(Cl)c1C 587628330 KRYPEWALKCPPOA-UHFFFAOYSA-N 351.208 5.483 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2cccc(Cl)c2)N1 587705232 XVXFKHYKQYQEOB-QGHHPUGFSA-N 368.677 5.060 0 1 FKAF CC(C)=CCC[C@H](C)C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820933 RJCSXVAHAWKDLS-JJRVBVJISA-N 368.334 5.936 0 1 FKAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(Br)c(C)c2[nH]1 587931690 SJKMUAJVFBGYOC-DJJJIMSYSA-N 371.278 5.088 0 1 FKAF CC1([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)CCCCCC1 962624718 ANXPNGRSMYWPRR-NOZRDPDXSA-N 374.572 5.835 0 1 FKAF C[C@H](Cc1ccc2c(c1)OCO2)[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962657287 ALRBEGWHYYLYGY-NSYGIPOTSA-N 371.480 5.148 0 1 FKAF CCOc1cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)ccc1OC(C)C 963106282 RHVBDZUKYQLSHZ-WMZHIEFXSA-N 369.480 5.122 0 1 FKAF C[C@]1(CC(=O)c2ccc(C3CCCCC3)cc2)NCCc2ccc(O)cc21 963329735 RXWXEHLZTZUXBH-XMMPIXPASA-N 363.501 5.074 0 1 FKAF Oc1ccc(Nc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)cc1 1857550458 GHOFQZAFODDSCE-UHFFFAOYSA-N 372.268 5.722 0 1 FKAF Oc1cccc(-c2cc(-c3ccccc3)nc3c2Cc2cccc(O)c2-3)c1 1857565261 MFROTQCTSALTSZ-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF Cc1ccc(NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 1857772319 AJWGWELJYOUTQB-UHFFFAOYSA-N 359.454 5.612 0 1 FKAF CC(=CCc1c(O)cc(C)c(C=O)c1O)CC[C@]1(C)CC[C@H](C)C(=O)[C@H]1C 2356703768 SZXAFXOYHGJSFA-XSSDXNQZSA-N 372.505 5.129 0 1 FKAF C[C@H](C=CC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 2356791365 GPCPYOKNADTDDL-FYEMKHTGSA-N 354.490 5.141 0 1 FKAF COc1ccc([C@](C)(O)c2nc(-c3ccc4ccccc4c3)cs2)cc1 61928968 WZYSVWMYBHXOCI-QFIPXVFZSA-N 361.466 5.228 0 3 FKAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5[C@H](C[C@]4(C)[C@H]3CC[C@]12C)C5(F)F 4887624 BRZLCOPFROJRBE-UAAXHFGJSA-N 366.492 5.452 0 1 FKAF biogenic O=C(O)c1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3OCCC[C@H]32)cc1 13979832 RAFIPRLCGYAEIN-NYVOZVTQSA-N 359.425 5.173 0 1 FKAF COc1c(CCCCCCCCCCC(C)(C)O)[nH]c2ccccc2c1=O 14489879 KKVCNRZRXQPCPS-UHFFFAOYSA-N 373.537 5.361 0 1 FKAF biogenic,in-vitro CCOC(=O)/C(C(=O)O)=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C 40617280 RYTNEPWDZCZOFE-PPNLBOGDSA-N 372.505 5.536 0 1 FKAF CCc1cnc(-c2cnc(N[C@@H](C)CC)nc2-c2ccccc2C)s1 82177588 RLRNMKGTOSHZAZ-AWEZNQCLSA-N 352.507 5.348 0 1 FKAF CC(C)Nc1cc(-c2oc3ccccc3c(=O)c2-c2ccc(F)cc2)ccn1 84668971 YOPQQIOJKPUFON-UHFFFAOYSA-N 374.415 5.481 0 1 FKAF Cc1cc2c(cc1C)C(Cl)=C(c1nnc(-c3ccc(F)cc3)o1)CCC2 299861748 ISFHXNKGGOYYEQ-UHFFFAOYSA-N 368.839 5.936 0 1 FKAF O=C(O)c1ccccc1/C=C\c1nc2cccc(OCc3ccccc3)c2[nH]1 586878521 FUSWMCWGLUWAOC-YPKPFQOOSA-N 370.408 5.011 0 1 FKAF Fc1cc2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2cc1Br 587088378 YSAVLDOKGNWQOE-UHFFFAOYSA-N 364.605 5.266 0 1 FKAF FC(F)(F)[C@@](F)(Cl)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587090809 YHIYWMNLLKRCLK-CQSZACIVSA-N 360.763 5.638 0 1 FKAF Cc1ccc2c3c(c([C@H](C)C(=O)OC(C)(C)C)cnc13)-c1ccccc1C2=O 587097512 PYIBIOPUXULLFD-AWEZNQCLSA-N 373.452 5.200 0 1 FKAF Cc1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1Br 587109657 RATDVULZTKREDI-UHFFFAOYSA-N 373.147 5.459 0 1 FKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(F)c(F)c3[nH]2)cc1F 587151566 RQNKJDTXEHPHBT-IBGZPJMESA-N 372.321 5.288 0 1 FKAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)O2 587173237 ADUBMYAYYBSIMR-AWEZNQCLSA-N 356.706 5.050 0 1 FKAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587241659 GMJCTEBVVROIMC-UHFFFAOYSA-N 362.260 5.521 0 1 FKAF CCc1ccc(OCc2ccc(C(=O)c3coc4ccccc34)cc2)cc1 587280732 WGUMYAHEUDPKKF-UHFFFAOYSA-N 356.421 5.805 0 1 FKAF CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587505727 LBCFRCUNVONOEY-FQEVSTJZSA-N 356.849 5.324 0 1 FKAF Cc1cccc(-c2ncc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)c1 587515787 RJRXINGDCFBAKU-QFIPXVFZSA-N 370.452 5.037 0 1 FKAF Cc1ccccc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525400 PGJITLMREYEUPO-VWLOTQADSA-N 368.476 6.247 0 1 FKAF Cc1ccccc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587534129 WAEXVMZCJGQYEZ-HSZRJFAPSA-N 358.437 5.840 0 1 FKAF CC[C@]1(c2ccc(C)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614083 QRPCWKYSVNPREX-WIYYLYMNSA-N 366.438 5.029 0 1 FKAF CCCc1c(-c2ccc(Br)cc2)[nH]c2ccc([C@H](C)CC)cc12 587638933 KEZNYFTZMMNPHE-CQSZACIVSA-N 370.334 7.063 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2Cl)N1 587716062 DFWDHSDHVJYGKR-VPTHRUTESA-N 372.640 5.004 0 1 FKAF Oc1ccc(-n2c(O)ccc2OCc2ccccc2)cc1-c1ccccc1 587925484 IRTQURJPJQIJQR-UHFFFAOYSA-N 357.409 5.135 0 1 FKAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 587927053 NIWDUPFQNKIWRQ-OAHLLOKOSA-N 352.478 5.420 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587950557 CSWFEYHWSOAKJG-JTQLQIEISA-N 358.775 5.788 0 1 FKAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(F)c(Br)c2[nH]1 587952499 SHUVKWSBHMMJRW-GYSYKLTISA-N 369.278 5.511 0 1 FKAF Cn1cccc1CN1CCc2sccc2[C@H]1c1ccc(C2CCC2)cc1 962394359 AIFLGWKCEBIAKE-HSZRJFAPSA-N 362.542 5.502 0 1 FKAF CCCCCCc1ccc([C@H]2c3ccccc3C[C@@H](C)N2CCC)s1 963226805 HRQZIYYEOQJLEM-WZONZLPQSA-N 355.591 6.617 0 1 FKAF CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)NC1CCC1 1857645525 QXWVFTRKMJOUAI-HKNKBGDBSA-N 371.609 7.047 0 1 FKAF Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(N2CCC2)n1 1857652185 GWOXIYSEZVJIPQ-UHFFFAOYSA-N 364.518 5.083 0 1 FKAF C[C@H]([C@@H]1CC=C2[C@@H]3CCC4=C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356596345 JLDLXPZTQHZTBT-CUCQJCNRSA-N 370.625 5.366 0 1 FKAF CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1 2356654850 MYTBMURTERFGRG-KIJBANGJSA-N 358.614 5.104 0 1 FKAF CC(=O)OCC(=CC[C@]1(C)[C@H](C)CC[C@]2(C)[C@H](C)CCC[C@@H]12)CC(=O)O 2356739355 TUFNPGGUGDWLPI-YCPVIHDHSA-N 364.526 5.219 0 1 FKAF CCCCCc1cc2c(c(O)c1C(=O)O)[C@H]1CC(C)=CC[C@@H]1C(C)(C)O2 14722858 YKKHSYLGQXKVMO-HOTGVXAUSA-N 358.478 5.434 0 1 FKAF biogenic COc1c2c(cc3c1[C@H](OC)C[C@@H](c1ccccc1)O3)OC(C)(C)C=C2 14885784 GFVVFOVUYZBZJA-FUHWJXTLSA-N 352.430 5.091 0 1 FKAF biogenic,in-vitro CC(C)(C(=O)O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1 42966686 FHYOMNYZIGSVNX-UHFFFAOYSA-N 356.425 5.259 0 1 FKAF C[C@H](Nc1cc(-c2cccc(-c3ccccc3)c2)ncn1)c1ccccc1 82161330 DUNUYTQJCSUHKZ-SFHVURJKSA-N 351.453 5.984 0 1 FKAF Fc1ccc(Nc2cc(NC3CCCCC3)nc3ccnn23)cc1Cl 95553284 BLECGOGNNZTYRZ-UHFFFAOYSA-N 359.836 5.010 0 1 FKAF COc1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3C)cc1CC2 95574122 AUYHONMIZAPISB-UHFFFAOYSA-N 361.416 5.216 0 1 FKAF CN1[C@H]2CC[C@@H]1C[C@H](O[C@H](c1ccc(F)cc1)c1cccc(Cl)c1)C2 100834453 ISSICWWQXUMDRL-IVAOSVALSA-N 359.872 5.210 0 1 FKAF Cc1ccc2c([C@@H](NCc3ccccc3)c3ccccc3Cl)c(C)[nH]c2c1 103244883 AQLSREXSXCXYPP-DEOSSOPVSA-N 374.915 6.317 0 1 FKAF Cc1nc2[nH]c([C@@H](C)SCc3ccccc3)nc2cc1Br 586964267 WKOQEWDOAMEAEP-LLVKDONJSA-N 362.296 5.023 0 1 FKAF C[C@H]1CCc2sc(-c3nc4c(Br)c(F)ccc4[nH]3)cc2C1 587033802 NBFXOOGMOBQSDB-QMMMGPOBSA-N 365.271 5.318 0 1 FKAF Cc1cccc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 587096147 DUSCATKNFHDEHQ-UHFFFAOYSA-N 350.421 5.049 0 1 FKAF Cc1c(Cc2cccs2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587101942 JWNKHRORHDJXDP-UHFFFAOYSA-N 355.462 5.715 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cc(F)c2[nH]1 587112358 GFFLIUQUENHAPN-VIFPVBQESA-N 356.750 5.720 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587153485 SLCBHMRBZLBMPP-UHFFFAOYSA-N 358.203 5.738 0 1 FKAF CCCc1sc(-c2cc3c4c(cccc4n2)CC3)cc1Br 587216403 AXIJQBCSPMOESU-UHFFFAOYSA-N 358.304 5.777 0 1 FKAF CCCc1c(O)ccc2c1OC1(CCC(c3ccc(C)cc3)CC1)CC2=O 587485431 VFLGTFSYLBNESY-UHFFFAOYSA-N 364.485 5.715 0 1 FKAF CCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2ccc(F)c(Cl)c12 587630374 ZQQGLTGELKXIGJ-UHFFFAOYSA-N 357.734 6.088 0 1 FKAF C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(F)ccc2c1-c1ccccc1 587635150 HROSEBRTXPHTAU-CYBMUJFWSA-N 354.425 5.560 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2cccc(Cl)c2)N1 587705229 XVXFKHYKQYQEOB-BMLIUANNSA-N 368.677 5.060 0 1 FKAF CCC[C@]1(C2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587819714 MSBKXQPHJNKYKM-BFUOFWGJSA-N 368.334 5.698 0 1 FKAF CCC[C@]1(c2ccsc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587855329 UPSIMBHRPIWMQO-PIGZYNQJSA-N 368.315 5.228 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c(C)cc(C)cc1C 587863275 WXRDAVPGBTTZLA-UHFFFAOYSA-N 360.379 5.492 0 1 FKAF CCC(CC)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587922957 KEWBGWCKRJTLRW-UHFFFAOYSA-N 364.489 7.001 0 1 FKAF COc1cccc(C2(c3nc4cc(Cl)c(F)c(F)c4[nH]3)CCCC2)c1 587929971 BKNVSPFJUDRCPO-UHFFFAOYSA-N 362.807 5.363 0 1 FKAF COC(=O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587950559 SALPBGSOGOQAHE-WYMLVPIESA-N 370.408 5.312 0 1 FKAF Fc1cc2[nH]c(/C=C\c3cccc4ccccc34)nc2cc1C(F)(F)F 587966397 BVKJQJUVNHMZKK-HJWRWDBZSA-N 356.322 6.044 0 1 FKAF Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)c(O)cn1-c1ccccc1 958043812 ABPONYNZJGBHOG-UHFFFAOYSA-N 367.861 5.209 0 1 FKAF Cc1sc2c(c1C)CCN[C@@]2(c1cccc(Cl)c1)C1CCCCC1 963004190 BHRVTSVVGYQVTJ-OAQYLSRUSA-N 359.966 5.988 0 1 FKAF FC(F)(F)C[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 1857573741 LHTAJYNFNOJCEQ-LJQANCHMSA-N 365.398 6.919 0 1 FKAF COc1cc(C=Cc2ccccc2)c2c(c1)O[C@H](c1ccccc1)CC2=O 2356782294 DNOQQUJHCNMRLL-QFIPXVFZSA-N 356.421 5.572 0 1 FKAF Cc1ccccc1Nc1c(-c2ccc(Cl)s2)nc2c(C)cccn12 3911594 DVZZCKPXKZDNNI-UHFFFAOYSA-N 353.878 6.077 0 1 FKAF FC(F)(F)c1ccc(-c2cc(Oc3cccc4cccnc34)ncn2)cc1 14974079 MWBFGQRKOLHTKZ-UHFFFAOYSA-N 367.330 5.503 0 1 FKAF COc1ccc(CCCc2cc(CCCCCCC(=O)O)cs2)cc1 26942246 JDURCVZZEVJJDP-UHFFFAOYSA-N 360.519 5.510 0 1 FKAF Cc1ncccc1Oc1ccc(NC(=O)c2csc3ccccc23)cn1 40394859 QTMUTTDNEMRNJS-UHFFFAOYSA-N 361.426 5.044 0 1 FKAF CCCCOc1ccc(NC(=O)C(CC)(C(F)(F)F)C(F)(F)F)cc1 68573034 BYQLMVRCQSEBPL-UHFFFAOYSA-N 371.321 5.325 0 1 FKAF biogenic C[C@@H](c1ccccc1)N(C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 72183113 RKWTWNHJCXPBSR-AWEZNQCLSA-N 360.379 5.553 0 1 FKAF CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2 147712262 WISKNMYMNRQYOL-CVEARBPZSA-N 353.506 6.402 0 1 FKAF NCc1cccc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)c1 147992965 LYNQICKGHANHBA-UHFFFAOYSA-N 368.440 5.138 0 1 FKAF CCOCCCCN[C@H](CC(C)C)C1(c2ccc(SC)cc2)CCC1 207603144 OZMCXSBQOWTTBK-OAQYLSRUSA-N 363.611 5.651 0 1 FKAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C)c2[nH]1 587033843 BQVPARJOUZJHPG-MRXNPFEDSA-N 363.486 5.357 0 1 FKAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cccc(C(C)(C)C)c3[nH]2)c1 587049022 NDZPQTHKMNYJMM-UHFFFAOYSA-N 369.896 5.775 0 1 FKAF Cc1c(F)ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c12 587049823 LYLIBUFDDYMYNP-UHFFFAOYSA-N 364.807 5.810 0 1 FKAF Cc1c(F)ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587052075 XPOCEMQOBYWMQP-UHFFFAOYSA-N 361.203 6.244 0 1 FKAF Clc1ccccc1NCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587062843 XCELSKFAGJGWSC-UHFFFAOYSA-N 365.889 5.980 0 1 FKAF Clc1ccccc1-c1ccc(Cc2nc3cncc(Cl)c3[nH]2)cc1 587063606 XELIMFOCQPLNLJ-UHFFFAOYSA-N 354.240 5.523 0 1 FKAF Cc1onc(-c2nc3c(C)c(F)ccc3[nH]2)c1COc1ccc(Cl)cc1 587075511 JVRBWHSMXWMIHE-UHFFFAOYSA-N 371.799 5.206 0 1 FKAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(C)cc(Br)cc3[nH]2)n1 587080948 VQNCJFJIZBPHNS-VIFPVBQESA-N 367.678 5.122 0 1 FKAF Cc1ccc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1C(F)(F)F 587094615 FBKBIGTYHYZQER-UHFFFAOYSA-N 358.285 5.500 0 1 FKAF Fc1cc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2cc1C(F)(F)F 587151993 JJAQKLALKACQSO-DTWKUNHWSA-N 356.269 5.270 0 1 FKAF CC[C@]1(CCCC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354846 OWMSLOXNZXHZIB-FYYLOGMGSA-N 370.464 5.865 0 1 FKAF C[C@@]1(c2cccc(-c3ccncc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587513765 FIXBCOOZRQPKIH-VWLOTQADSA-N 369.464 5.508 0 1 FKAF CC(C)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587520809 FYRRYHXDWBVHGL-QFIPXVFZSA-N 366.457 5.012 0 1 FKAF O=C1C[C@]2(CCCSc3ccccc32)Oc2c1ccc1c2CCCC1 587539669 XFOBZIWBJIHRBI-QFIPXVFZSA-N 350.483 5.312 0 1 FKAF CCCCC[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602413 XJKVPFLZXZVQFT-XXBNENTESA-N 368.473 5.719 0 1 FKAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2OCC(F)(F)F)cc1 587629851 LCXJMQJJILQUEV-UHFFFAOYSA-N 357.734 5.877 0 1 FKAF Cc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2N2CCCCC2)cc(C)c1O 587632310 UASWQTBRAKGVMM-UHFFFAOYSA-N 372.871 5.940 0 1 FKAF Cc1[nH]c2cc(F)ccc2c1Oc1ccc2cc(Br)ccc2c1 587632633 MZVIHJCEJNCTTM-UHFFFAOYSA-N 370.221 6.323 0 1 FKAF CC1=C([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)CC=C1 587823765 RLFQDHZJXMUAIG-KZULUSFZSA-N 364.302 5.466 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cncc(Br)c2[nH]1 587951566 PEQPFXYRCHIDLW-NSHDSACASA-N 368.234 5.014 0 1 FKAF Clc1cnc(Cl)c2[nH]c(Cc3cccc(-c4ccccc4)c3)nc12 587960812 FSIKDWHNJOKYOL-UHFFFAOYSA-N 354.240 5.523 0 1 FKAF O=C(O)CCc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccccc2)o1 1857592663 UOULMZOGDXDSPF-UHFFFAOYSA-N 362.212 5.333 0 1 FKAF c1ccc2oc(-c3cn4c(-c5cc6ccccc6o5)csc4n3)cc2c1 1857604315 ILAHKUJGQYYICE-UHFFFAOYSA-N 356.406 6.222 0 1 FKAF Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ccc2nccn12 1857765878 UYMWVLXWMJCALD-UHFFFAOYSA-N 355.397 5.552 0 1 FKAF C[C@H]([C@@H]1CC[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)CCC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356692366 SZIOQOXLFOEUNT-BXWBFYNBSA-N 369.637 6.542 0 1 FKAF CC(=O)OCC=C(C)CC[C@@H]1C(C(=O)O)=CC[C@@H]2C(C)(C)CCC[C@]12C 2356752776 QCCOWTLREYYOFG-WOIUINJBSA-N 362.510 5.140 0 1 FKAF COc1cc(-c2cccc(-c3cn(C)c4ccccc34)c2)cc(OC)c1OC 2382259067 ICYMJLLGSMJOEL-UHFFFAOYSA-N 373.452 5.538 0 1 FKAF Cc1ccc(C)c(NC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)c1 8611039 BMFLLAALBNNMTI-UHFFFAOYSA-N 370.452 5.482 0 1 FKAF C=C1c2nc3ccccc3n2C=C(c2ccc(Cl)cc2)N1c1ccccc1 13218790 FSZRAQTWXJKTEL-UHFFFAOYSA-N 369.855 6.136 0 1 FKAF CCCCC/C=C/Cc1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(C)C[C@H]21 27761671 OXYFFHDPKGORMT-JNTVOPSESA-N 354.534 6.682 0 1 FKAF CC(=O)OCC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@H](C)CC(=O)O 27983981 QSEIUMVWJJWZJP-ZSWJKXSBSA-N 364.526 5.219 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 33820838 SKQYGCRUIVNLNN-FTLZCDAUSA-N 358.566 6.456 0 1 FKAF CC(C)CNc1cc(-c2nc3ccccc3nc2-c2ccc(F)cc2)ccn1 45245478 XUHOVTUVLNZHGO-UHFFFAOYSA-N 372.447 5.566 0 1 FKAF CC(C)(C)c1ccc([C@H](O[C@@H](CN)c2ccccc2)c2ccccc2)cc1 45391501 FUAZOBTVSMDITA-BJKOFHAPSA-N 359.513 5.790 0 1 FKAF CCCCCNc1ncnc2c1nc(-c1cccs1)n2C[C@@H](C)CC 82186632 WIKKSEVNDQBZHJ-AWEZNQCLSA-N 357.527 5.203 0 1 FKAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c12 95581201 DIMHSECFRRJZML-UHFFFAOYSA-N 374.419 5.177 0 1 FKAF Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(Cl)c2)s1 95581688 QJRNGUJKBMYZJH-GOSISDBHSA-N 354.862 5.481 0 1 FKAF CN(C(=O)c1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1 96914928 LQBRNSUSSIBBNU-UHFFFAOYSA-N 368.436 5.090 0 1 FKAF Cc1cc([C@@H]2[C@H]3CC[C@H](C[C@H]2c2ccc(Br)cc2)S3)on1 101388779 YEUFVHULUPJOQC-YALNPMBYSA-N 364.308 5.281 0 1 FKAF Cc1c(Br)ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586885734 NRSNPMQJCBDBKP-IFXJQAMLSA-N 353.263 5.005 0 1 FKAF Cc1ccnc2[nH]c(-c3cc(Br)ccc3OCCC(C)C)nc12 586982154 SLIHKONNIZLRNC-UHFFFAOYSA-N 374.282 5.121 0 1 FKAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2ccc3ncccc3c2[nH]1 587047737 BHCWORIEHVKDRK-VXGBXAGGSA-N 354.240 5.689 0 1 FKAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Cl)nc(Cl)c2[nH]1 587067210 YWHZEDYLTDQTKB-MRVPVSSYSA-N 356.640 5.367 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](c1cccnc1)CC3 587107881 WKYYKFDQBPGLOM-HNNXBMFYSA-N 362.432 5.114 0 1 FKAF Nc1c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc2ccccc12 587254366 NPEYLZLNVOALBQ-UHFFFAOYSA-N 361.754 5.638 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H]([C@H](C)Cc1ccc(C(C)C)cc1)CC2=O 587488709 KXABSGWEOCHLFH-WAIKUNEKSA-N 366.501 5.681 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1sc3ccccc3c1C)CC2=O 587493825 GWELHHXAKUWJRU-SFHVURJKSA-N 352.455 5.574 0 1 FKAF Cc1ccccc1-n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510355 AFMDUNFWUQDAKX-QHCPKHFHSA-N 357.453 5.371 0 1 FKAF CCCCC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527959 ZUTHTFAPRBIVKU-WMZHIEFXSA-N 372.505 5.049 0 1 FKAF Cc1oc(-c2cccs2)nc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587531089 JNQNKKAZUYDKOC-KRWDZBQOSA-N 365.454 5.297 0 1 FKAF O=C1C[C@H](c2cc3c(Cl)cccc3s2)Oc2c1ccc1c2CCCC1 587536631 YCBMYDLMOKLSNQ-GOSISDBHSA-N 368.885 6.140 0 1 FKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl 587544127 LWPQUBFUDSLKKU-GHTZIAJQSA-N 366.800 5.057 0 1 FKAF Cc1cc(Cl)cc2c(C3CC3)c(-c3ccc(Br)cc3)[nH]c12 587623755 OOABZDCRHLAGDS-UHFFFAOYSA-N 360.682 6.437 0 1 FKAF CCCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc([C@H](C)CC)cc12 587641203 LDESQIIQQDBUFK-CYBMUJFWSA-N 360.328 7.608 0 1 FKAF Cc1cccc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 587801736 HXCUISBLZAIOMI-WLRWDXFRSA-N 373.269 5.002 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(C)CCCCC2)N1 587816130 URDGBAAFWNBVQI-XIKOKIGWSA-N 354.307 5.308 0 1 FKAF COc1ccc(-c2ccc(-c3nc4c(F)cc(C)cc4[nH]3)cc2)cc1OC 587929099 QFGXIQYFQKOMEC-UHFFFAOYSA-N 362.404 5.362 0 1 FKAF CCC[C@@H](c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1)C(C)C 587954603 BOWBKRFVILIWCA-GFCCVEGCSA-N 367.287 5.042 0 1 FKAF CCCC/C=C/c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587965246 IQEYDZSQKPQMCY-AATRIKPKSA-N 363.177 5.427 0 1 FKAF Cc1cc(Br)ccc1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963099575 ICANDZYHSOYDBP-KXBFYZLASA-N 360.270 5.007 0 1 FKAF Clc1ccccc1-c1cc(-c2ccsc2)c2oc3ccccc3c2n1 1772572417 ZOXIELJYEPOCKJ-UHFFFAOYSA-N 361.853 7.030 0 1 FKAF CCc1nc(Cl)c(-c2c(F)cccc2F)n1-c1ccc(Cl)cc1 1772606566 PUFZWMIGEGEBJH-UHFFFAOYSA-N 353.199 5.687 0 1 FKAF Cc1nc2ccccc2n1[C@@H](c1ccccc1)c1cc2ccccc2oc1=O 1911574675 OYTUZQRZQLYGMH-QHCPKHFHSA-N 366.420 5.089 0 1 FKAF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356610786 YHTRVWPOAJKWBV-DCXDKPGMSA-N 374.609 6.625 0 1 FKAF CCC=CCCCCCCCCCCCCCCCc1cccc(O)c1 2356640622 JRYABHVBSWEOHA-UHFFFAOYSA-N 358.610 8.362 0 1 FKAF Clc1ccc([C@H](c2c[nH]cc2-c2ccccc2)n2ccnc2)c(Cl)c1 5974740 KXSPLCMPGAOMPO-HXUWFJFHSA-N 368.267 5.823 0 1 FKAF CN(C)CCCN1c2cscc2Sc2ccc(C(F)(F)F)cc21 26963937 NEGMXFBXVHIIRN-UHFFFAOYSA-N 358.454 5.321 0 1 FKAF O=C(C[C@H](SC(=S)N1CCCCC1)c1ccccc1)c1ccccc1 38267447 VQSNAROJLAMYOE-FQEVSTJZSA-N 369.555 5.505 0 1 FKAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OCCCC)c(OC)c2)n1 72102010 MOVVIGNXILATMO-QGZVFWFLSA-N 374.525 5.588 0 1 FKAF Cc1ccc(Oc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)c(C)c1 103189632 VFOOASAGTPYZKU-UHFFFAOYSA-N 358.363 5.880 0 1 FKAF CC[C@@H](C)C[C@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197717 MTNMQRCVEVQDPA-MNOVXSKESA-N 373.444 5.292 0 1 FKAF Cc1ccc2cc([C@@H]3CC(c4cc(C)sc4C)=NN3)c(Cl)nc2c1 103212260 JXJFRSBQKIYLLC-SFHVURJKSA-N 355.894 5.314 0 1 FKAF CCC(C)(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1 261179201 VPRGZBLRSGAWRB-BGYRXZFFSA-N 368.565 5.035 0 1 FKAF CCc1ccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1Br 586976059 BXIJLYMLWAJTHD-UHFFFAOYSA-N 358.283 5.247 0 1 FKAF CSc1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 586980144 LCYOTEGJSOHRAW-UHFFFAOYSA-N 353.672 5.368 0 1 FKAF COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1N 586995009 CVZAWMONILEDQD-UHFFFAOYSA-N 366.420 5.012 0 1 FKAF Cc1nc(COc2cccc(-c3nc4cc(C)c(Cl)cc4[nH]3)c2)cs1 587020411 RLDSIUDZCPFFMG-UHFFFAOYSA-N 369.877 5.536 0 1 FKAF Clc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1Cl 587020738 AQAYTPXQVHKBEC-UHFFFAOYSA-N 360.269 5.584 0 1 FKAF COc1cncc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 587072397 VOCUNEVUKQKBCM-UHFFFAOYSA-N 371.227 5.002 0 1 FKAF FC(F)(F)[C@](F)(Cl)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587089682 GCGOKSGJCMIAQG-HNNXBMFYSA-N 358.722 5.065 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(Cl)ccc(F)c1C3 587104351 QNHHVJQVFNYRGB-UHFFFAOYSA-N 371.798 5.810 0 1 FKAF Cc1c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166565 WIKJQOXPCLZAPC-UHFFFAOYSA-N 374.341 5.097 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347855 BKYIQVKBMGPGQE-UPKQVVFYSA-N 354.421 5.085 0 1 FKAF Cc1ccc2[nH]c3c(c2c1)CCC[C@@]31CC(=O)c2ccc3c(c2O1)CCCC3 587524198 KSDAZWYWEXUDSV-RUZDIDTESA-N 371.480 5.552 0 1 FKAF Cc1cc(Cl)cc2c(-c3ccc(Cl)cc3)c(-c3ccc(F)cc3)[nH]c12 587624468 JZPFZIYPTOMUDD-UHFFFAOYSA-N 370.254 7.256 0 1 FKAF Cc1ccccc1[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813463 DALNHJQNPSJLPB-RNODOKPDSA-N 374.297 5.084 0 1 FKAF CC1=C[C@H](C)C[C@H]([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 587824784 YNRDTOFTVNHBFK-UGQMMMICSA-N 352.291 5.156 0 1 FKAF CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@@]1(C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587828750 PPESQVLLZOYVTP-SVWNOQBBSA-N 366.318 5.020 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(C3CC3)oc3ccc(O)cc23)N1 962942138 BNDDWITULATCQU-QKFKETGDSA-N 372.468 5.511 0 1 FKAF COc1ccc2c(c1)[C@]1(C=CCCCCC1)N(Cc1ccc(F)cc1)CC2 963303335 PFWKMCCLVUYJSI-XMMPIXPASA-N 365.492 5.608 0 1 FKAF COc1cc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)ccn1 1772573811 MRHCNYZKAGKUJS-UHFFFAOYSA-N 353.809 5.055 0 1 FKAF Cc1cc2c(C(C)C)ccc(C)c2cc1OC(=O)c1ccc(Cl)cc1 1772607648 AKVLAASTHITQAL-UHFFFAOYSA-N 352.861 6.453 0 1 FKAF CC[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356484478 WIVPAKVRSDHFJL-FYIXJZPISA-N 360.538 5.166 0 1 FKAF CC(=CCO)CCC=C(C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 2356690271 QVAALZYWZYXTTP-PKTZIBPZSA-N 364.658 8.091 0 1 FKAF COc1cc(=O)oc(C=CC=C[C@@H]2[C@H](C)[C@@]3(C)C=C(C)C=C(C)[C@H]23)c1C 2356718599 AFLXFQMVMOJBCC-OUVAMTEUSA-N 352.474 5.321 0 1 FKAF CC1=C2C[C@]3(C)CC[C@H](C(C)C)[C@@H]3CC2=C(CO)C2=CC[C@H](C)[C@H]2CC1 2356750889 LTSIYRVKEJCFIW-QBMBTCOSSA-N 354.578 6.450 0 1 FKAF Clc1ccccc1/C=C/c1nsc(/C=C/c2ccccc2Cl)n1 6010370 IJEXRKUJUYAVJY-WGDLNXRISA-N 359.281 6.186 0 1 FKAF CN(C)CCCCCCCCNc1c2c(nc3ccccc13)CCCC2 13801238 YBHMQTHNPQNNEB-UHFFFAOYSA-N 353.554 5.428 0 1 FKAF CCCCN(CCCCC1CCCCC1)C(=O)Nc1ccc(C)cc1C 26380724 UVUVZVGVIABZQO-UHFFFAOYSA-N 358.570 6.688 0 1 FKAF CC(C)c1ccc(/C(=C\C[C@H](N)C(=O)O)c2ccc(C(C)(C)C)cc2)cc1 28769767 SBHYREVKOXXNLS-AMUNLKFJSA-N 365.517 5.341 0 1 FKAF CCCCCC[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 66075067 SOOAIMVOTCSILP-MISYRCLQSA-N 356.550 7.077 0 1 FKAF CC[C@@H](C)Cn1c(C(C)C)nc2c(NCc3cccc(Cl)c3)ncnc21 82181349 DUVGVICDHRVNEV-CQSZACIVSA-N 371.916 5.261 0 1 FKAF CC/C=C\CCSC[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101616706 YDJGESKTURUXSO-LTQAMJLDSA-N 352.540 5.071 0 1 FKAF COc1cccc([C@H](C)Nc2cc(-c3ccc4cc[nH]c4c3)nc(C)n2)c1 205826760 SEKPAVDMIUHPJA-AWEZNQCLSA-N 358.445 5.115 0 1 FKAF C/C1=C/C[C@]2(C)CC[C@@]3(C)CCC(C)(C)[C@@H](O)[C@@H]3[C@H]2CC/C(C)=C/CC1 238737631 ULDBXMRKZUJJOC-JZWAGGMMSA-N 358.610 7.063 0 1 FKAF CCc1ccc(-c2nc3cccc(C(C)(C)C)c3[nH]2)cc1Br 586976161 DOFYWQVOFKTXHA-UHFFFAOYSA-N 357.295 5.852 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(F)cccc4[nH]3)c21 587031528 SJVNNARADACBBO-GFCCVEGCSA-N 351.450 5.661 0 1 FKAF CCc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587040808 RFOBSUHAEOLJQU-UHFFFAOYSA-N 371.509 5.971 0 1 FKAF Clc1ccccc1OCc1ccc(-c2nc3c(Cl)cccc3[nH]2)cc1 587063468 NQTQOXYBFHLDPE-UHFFFAOYSA-N 369.251 6.116 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(C(C)C)cc4)nc13)-c1ccccc1C2=O 587099498 LCXICCCBFGAMJE-UHFFFAOYSA-N 363.460 6.545 0 1 FKAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)C1CCCC1 587226846 VDYMKTYNZHROLQ-INIZCTEOSA-N 372.513 5.011 0 1 FKAF C[C@]1(C2CCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587358379 XQOMPRYOBMIAHO-RBBKRZOGSA-N 354.421 5.229 0 1 FKAF COc1cccc(-c2c(CC3CCCCC3)cnc3c2oc2ccccc23)c1 587367822 XFPVPJXUJZSRTO-UHFFFAOYSA-N 371.480 6.779 0 1 FKAF O=C1C[C@@H](c2ccccc2Oc2cccnc2)Oc2c1ccc1c2CCCC1 587513592 DDWYCENUUVUWGF-QHCPKHFHSA-N 371.436 5.459 0 1 FKAF Cc1cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587818208 GRSKEHHBKFKDFA-ORAYPTAESA-N 362.286 5.137 0 1 FKAF COc1ccc(-c2ccc(-c3nc4c(C)ccc(C)c4[nH]3)cc2)cc1OC 587928533 ITNCXTBAANAAMK-UHFFFAOYSA-N 358.441 5.531 0 1 FKAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(SC)cc3[nH]2)cc1 587938105 SFHRVSSFFCAAGV-NRFANRHFSA-N 360.482 5.474 0 1 FKAF Cc1cccnc1-c1ccc2c(c1)CC[C@H](C)[C@@H]2C(=O)c1ccc(O)cc1O 653633707 PNMORMAFEGBQRP-FPTDNZKUSA-N 373.452 5.017 0 1 FKAF COc1cc(O)cc(CCCCC=CCCCCc2cc(O)cc(O)c2)c1 2356340376 NIJVFUISTZRIEM-UHFFFAOYSA-N 370.489 5.494 0 1 FKAF CCSc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1 2382232084 DRULGFJFVUWFGR-UHFFFAOYSA-N 369.486 5.282 0 1 FKAF c1ccc(-c2cc(-c3cc[nH]n3)c3cccc(-c4cccs4)c3n2)cc1 2382241644 ZYRPAZHKWUOTPV-UHFFFAOYSA-N 353.450 6.020 0 1 FKAF CC(=O)N[C@@H](c1cccc(F)c1)c1nc(-c2cccc(C(C)C)c2)cs1 61927609 IZVQEDSMQVUHMF-FQEVSTJZSA-N 368.477 5.298 0 3 FKAF COc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1 72136608 QDIXZHHSIBKUOQ-UHFFFAOYSA-N 374.465 6.355 0 3 FKAF CC(/C=C/C=C(\C)c1ccc2c(c1)C(C)(C)CC(C)(C)S2)=C\C(=O)O 27436620 AZAVERMNZXAAIZ-ZLLKFVMWSA-N 356.531 6.229 0 1 FKAF Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(C(C)C)cc1 45358725 CBYGAFQCWREHQS-UHFFFAOYSA-N 368.864 5.703 0 1 FKAF COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(SC)cc3)C2)cc1 49785824 ZCKJJYLNUDINKF-QHCPKHFHSA-N 374.509 5.773 0 1 FKAF Cc1cccc2cc(CNc3ccc(Br)cc3)c(Cl)nc12 66076471 AOZGHKKQQMJMRR-UHFFFAOYSA-N 361.670 5.571 0 1 FKAF COc1ccc(-c2csc(Nc3ccc4ccccc4c3)n2)cc1OC 66076906 UNXPLKKKOVRYFB-UHFFFAOYSA-N 362.454 5.724 0 1 FKAF COc1ccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)cc1F 72109788 CTZIWTAWDPFCHN-UHFFFAOYSA-N 374.433 5.256 0 1 FKAF CCOc1ccccc1-c1nc(CN(CC)c2cccc3ccccc23)co1 72185910 LMYUDKAJRWAOQI-UHFFFAOYSA-N 372.468 5.920 0 1 FKAF CC(C)C(=O)OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1 82156030 DOEXVARWZGGZCB-UHFFFAOYSA-N 374.440 5.044 0 1 FKAF Oc1c(Cl)cc(Nc2nc(-c3ccc(F)cc3)cs2)cc1Cl 89469039 QNBROOROBRKPQT-UHFFFAOYSA-N 355.221 5.705 0 1 FKAF Cc1cc2c(cc1-n1cnc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C 95590774 NYMREQCAQSXAJL-UHFFFAOYSA-N 362.473 5.381 0 1 FKAF CO[C@]1(c2ccc(F)cc2)C=CC(C2CCCCC2)(C2CCCCC2)OC1 103215731 WVBYAKBIQIYTJT-HSZRJFAPSA-N 372.524 6.153 0 1 FKAF COC(=O)[C@@]1(C)CC[C@@H]2C3=C1CC[C@@H](C)[C@]3(C)C[C@@H]1c3ccccc3N[C@H]21 103268464 OADDQSCEKVBBAY-GFKLTFRUSA-N 365.517 5.290 0 1 FKAF CC1(C)CC2=Nc3ccc4ncccc4c3[C@H](c3ccc(F)cc3)C2=C(O)C1 104108483 HKWDYEFJKNTVKI-NRFANRHFSA-N 372.443 6.224 0 1 FKAF Clc1ccc2c([C@H](NCC3CC3)c3cccc4ccccc34)c[nH]c2c1 149925861 BNFPNYAGULOZSX-HSZRJFAPSA-N 360.888 6.064 0 1 FKAF Cc1ccc(-c2cc([C@@H]3[C@@H](c4ccc(C)cc4)C[C@@H]4CC[C@H]3N4C)on2)cc1 169340537 IQNHMRJZPKQKFD-KWLZBDKBSA-N 372.512 5.692 0 1 FKAF Cc1ccc2ccccc2c1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586884815 ZEYAMEFRARFLPU-UHFFFAOYSA-N 360.766 6.364 0 1 FKAF Cc1ccc2c(c1)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586989554 BFTRUACKDIUHAF-UHFFFAOYSA-N 363.416 5.226 0 1 FKAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CCCC[C@@H]1CC4)-c1ccccc1C2=O 587100318 GGXBJWKNVHEJBN-HZPDHXFCSA-N 353.465 5.975 0 1 FKAF Cc1oc2c(c1C)-c1nc3c(C)ccc4c3c(c1CC2)-c1ccccc1C4=O 587100713 FMNZOZNZUOBVAL-UHFFFAOYSA-N 365.432 5.730 0 1 FKAF Cc1ccc2c3c(c([C@@H](C)CCCC(C)(C)O)cnc13)-c1ccccc1C2=O 587102382 WRYUOCPJZGWBCS-HNNXBMFYSA-N 373.496 5.799 0 1 FKAF Fc1ccc(/C=C(\c2nc3cc(F)cc(F)c3[nH]2)c2cccs2)cc1 587163904 NLKXSEKXUOTWKU-ZSOIEALJSA-N 356.372 5.631 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(F)c(F)c3[nH]2)c1 587196160 REKQLQDHLONLAY-UHFFFAOYSA-N 373.403 5.188 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@@H]1c1ccc(Cl)cc1)O2 587380246 ROHUQLVGEHKIEL-GCJKJVERSA-N 369.892 5.683 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC(C)(C)[C@@]34CC[C@@H](C3)C(C)(C)[C@@H]14)O2 587410251 ZENKAAPMYZIQPD-LPYGUSEBSA-N 367.533 5.544 0 1 FKAF CCc1cc(CC)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(CC)c1 587524734 MMKFTZZSNQENMG-QHCPKHFHSA-N 362.513 5.959 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]1CCCC[C@H]1C2 587601597 DUNPQHKIXGKOJP-PRLPJYAQSA-N 364.441 5.083 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc(OC(C)C)cc4[nH]3)c2)cc1O 587787178 QXSFPVVUCBUXPJ-UHFFFAOYSA-N 374.440 5.398 0 1 FKAF CC(C)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587809896 BMZASERWFLFFSM-BFUOFWGJSA-N 362.286 5.022 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)CC2)N1 587818656 SABZJLGAOFKGDM-XCLFUZPHSA-N 372.281 5.195 0 1 FKAF CC(C)c1ccc2nc(-n3nc4cc3Oc3ccc(F)cc3-4)sc2c1 587875683 GEWMHRGCDREAHX-UHFFFAOYSA-N 351.406 5.517 0 1 FKAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(C)cc(Br)c2[nH]1 587949978 HOMYJKBCOWFYMF-FFSVYQOJSA-N 365.315 5.680 0 1 FKAF COc1ccc(F)c([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)c1F 962666621 KUQXRFKHGJEUGN-HSZRJFAPSA-N 365.423 5.050 0 1 FKAF CC(C)CC[C@]1(C(C)(C)C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962694872 FFIXQDSAYDYUKC-VGOFRKELSA-N 363.586 5.867 0 1 FKAF O=C(c1ccc(F)cc1)C1CCN(CCCCCc2ccccc2)CC1 1542570 DZQCXEQCJICSOB-UHFFFAOYSA-N 353.481 5.133 0 1 FKAF CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC3(CCC3)C2)cc1 3814537 WSMKPFRGAQKKFX-UHFFFAOYSA-N 356.462 5.104 0 1 FKAF COc1ccc(-c2oc3cc(O)c(CC=C(C)C)cc3c2OC)c(O)c1 13312620 CRFPSPZXZWQQHE-UHFFFAOYSA-N 354.402 5.037 0 1 FKAF biogenic CC(C)c1ccc(O[C@@H](CCCCCc2ccc(Cl)cc2)C(=O)O)cc1 13604756 QTTPYRPTTZZWRC-NRFANRHFSA-N 374.908 6.099 0 1 FKAF Cc1cc(CCCCC[C@H](C)C(=O)O)c(CCCc2ccccc2)s1 13726646 QQHQXMPVQNNKSK-KRWDZBQOSA-N 358.547 6.055 0 1 FKAF CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](Cc1ccccc1)Oc1ccccc1-3 13781696 DVHGADYDUXNLKV-QHCPKHFHSA-N 367.492 6.637 0 1 FKAF CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2C[C@H]1C2(C)C 27554490 PSDQYGKBECOLJX-GWSKAPOCSA-N 362.554 5.593 0 1 FKAF CCCc1c(CC)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 28825615 KUXBAJOCTMNSJW-UHFFFAOYSA-N 352.187 5.108 0 1 FKAF O=C(Nc1ccc(Cl)cc1)c1ccccc1SCc1ccncc1 29046623 VEGDXHXEGCZBEY-UHFFFAOYSA-N 354.862 5.280 0 1 FKAF O=C(c1ccccc1-c1cccc(F)c1)N1CCc2c([nH]c3ccccc23)C1 40379522 YWIJBTOLKJUKSA-UHFFFAOYSA-N 370.427 5.173 0 1 FKAF COc1ccc([C@@H]2Nc3ccc(C(C)(C)C)cc3[C@H]3OCCC[C@H]32)cc1F 49017709 QQEGSNRMQHOAOU-SSKFGXFMSA-N 369.480 5.766 0 1 FKAF Clc1cc(Cl)c(Cl)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1 95586104 OIMUKKZXUMOQAB-SJCJKPOMSA-N 356.680 5.376 0 1 FKAF COc1cc(OC)c2c(NC3CCCCC3)cc(-c3ccccc3)nc2c1 98083126 YPHABYOXTFGEGV-UHFFFAOYSA-N 362.473 5.664 0 1 FKAF CC(C)(C)N[C@H](c1ccc(Cl)cc1)c1ccc(-c2cccnc2)cc1 103265726 ZWPJICWYFDUWEG-NRFANRHFSA-N 350.893 5.880 0 1 FKAF CCCOc1ccc(/C=C/c2cc(OCCC)cc(OCCC)c2)cc1 143709295 NHIIALBMSBOCCQ-BQYQJAHWSA-N 354.490 6.223 0 1 FKAF CC(C)Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1CN 165217478 CUCNQPWZBCNGLQ-UHFFFAOYSA-N 369.306 5.322 0 1 FKAF 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 169294412 ZKTFUNZCYRUILZ-WPGYRXOUSA-N 368.609 5.072 0 1 FKAF CC(/C=C\C=C(C)\C=C\[C@H]1[C@@H](C)CCCC1(C)C)=C/CN1CCOCC1 169300303 JGEUGBGGYLQOTH-XAVKUBNCSA-N 357.582 5.786 0 1 FKAF FC(F)(F)[C@@]1(Cl)[C@](Cl)(c2ccccc2)[C@]1(Cl)c1ccccc1 254114729 JHECBPQLNLDWBJ-FICVDOATSA-N 365.609 5.809 0 1 FKAF FC(F)(F)Oc1cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2cc1Cl 586882750 AZDVFPWXJFMLLO-IJZKUYQOSA-N 370.802 5.583 0 1 FKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(F)c(F)c(F)cc2[nH]1 587066194 IDIXTRIOGKSMLY-UHFFFAOYSA-N 361.754 5.400 0 1 FKAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(O)c2[nH]1 587072779 WVHNKFLVFPVCJM-ZQVQTSOTSA-N 373.283 5.941 0 1 FKAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cccc(Cl)c3[nH]2)c1 587092882 HPSIMPWXQAVHLF-UHFFFAOYSA-N 364.676 5.921 0 1 FKAF Fc1ccc(-c2ccsc2-c2nc3c(Br)cccc3[nH]2)cc1 587164899 YNBHLIQNBGYVCQ-UHFFFAOYSA-N 373.250 5.860 0 1 FKAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 587196705 XQXFVQIMQDIVQU-INIZCTEOSA-N 373.525 5.932 0 1 FKAF COc1cccc(-c2c(CC(C)=O)c(C(C)C)nc3c2oc2ccccc23)c1 587366068 QCZIINQOOYBTNF-UHFFFAOYSA-N 373.452 5.912 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)C[C@@H]3C)c1 587366992 PLUXSFYPKPJAJK-AWEZNQCLSA-N 357.453 6.441 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c(C)cc(C)cc31)CC2=O 587478432 GERFMSXGEMKDIK-HSZRJFAPSA-N 350.458 5.159 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1C1CCCCC1)CC2=O 587481656 NFEJQHLZVQVPBQ-HSZRJFAPSA-N 364.485 6.099 0 1 FKAF O=C1C[C@H](c2ccc(F)c(N3CCCC3)c2)Oc2c1ccc1c2CCCC1 587506921 QVPLOTVEVASVTE-JOCHJYFZSA-N 365.448 5.011 0 1 FKAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC(C)C)c1 587521013 HGSRLWAKOIXVSJ-JOCHJYFZSA-N 366.457 5.068 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccsc3)nc2)Oc2c1ccc1c2CCCC1 587535200 JGCCNWQFWBQIAG-OAQYLSRUSA-N 361.466 5.395 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(F)F)c2)N1 587712593 BIDYVQDYUJWQMF-FVMDXXJSSA-N 370.212 5.149 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(F)cc(F)c1 587854514 GETTXNVBMACFRL-UHFFFAOYSA-N 369.198 5.523 0 1 FKAF Brc1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587959424 RHEKRLKRCWLDFA-UHFFFAOYSA-N 363.258 5.583 0 1 FKAF COc1ccc2c(c1)[C@](CC1CC1)(c1ccc(Cl)cc1)N[C@@H]1CC[C@@H]21 962997690 SANUINUROFFKFS-NNWRFLSQSA-N 353.893 5.242 0 1 FKAF Fc1ccc([C@@]2(C3CCC3)NCCc3c(Cl)cc(Cl)cc32)cc1 963118280 FDUFTTJFDAWNJP-LJQANCHMSA-N 350.264 5.322 0 1 FKAF Clc1cccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)c1Cl 1772615638 PPMFWBQCZADACZ-FQEVSTJZSA-N 367.279 6.349 0 1 FKAF Cc1cc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3C)s2)cc(C)c1O 1857559334 CPOWEJLJDJTWCU-UHFFFAOYSA-N 374.408 5.261 0 1 FKAF CCc1nc2ccc(C)cc2n1CCCCSc1ccc(Cl)cc1 1857646036 KTCFLBXZJIQLQO-UHFFFAOYSA-N 358.938 6.133 0 1 FKAF C[C@@H]([C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4CC(=O)CC[C@@]45C[C@]35CC[C@]12C)N(C)C 2356475011 LXPWEKOLVATYSJ-YJTCDNBRSA-N 357.582 5.309 0 1 FKAF CC1=CCC[C@]2(C)CC[C@H](C(C)C)[C@@H](OC(=O)C=Cc3ccc(O)cc3)[C@@H]12 2356535840 KKYIBEYOWUAQME-MSNJVRRCSA-N 368.517 5.746 0 1 FKAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CCC(C)=CC(=O)O)C(C)=CC[C@@H]2C1(C)C 2356600361 JAOSZJFNMXPMLX-JPAWQOSXSA-N 362.510 5.138 0 1 FKAF CCc1c(C)nc(OC)c2c1[C@H](c1cc(C)cc(C)c1)OC(C(C)(C)C)=N2 5847270 KTWSBNKAFORNHX-FQEVSTJZSA-N 366.505 5.774 0 1 FKAF C[C@H](NC(=S)Nc1nc2ccccc2s1)c1cccc2ccccc12 13477192 JUVYDTIZKRZTLP-ZDUSSCGKSA-N 363.511 5.497 0 1 FKAF CCn1nc(C(=O)O)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1 13534753 YXLFQADORAOUEZ-UHFFFAOYSA-N 361.228 5.242 0 1 FKAF O=C(Cc1ccccc1)Nc1ccc2[nH]nc([C@H]3C[C@@H]3c3ccccc3)c2c1 34997346 CIWJUMXZAYFUEI-UXHICEINSA-N 367.452 5.015 0 1 FKAF Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1O 36477994 DNOUMIIJEFXPEV-UHFFFAOYSA-N 356.531 5.709 0 1 FKAF CC1=C(CC(=O)O)c2cc(Br)ccc2/C1=C\c1ccccc1 43178232 RHKGEVIYSCNFRT-SXGWCWSVSA-N 355.231 5.252 0 1 FKAF CC(=O)O[C@@H]1C=C(C)[C@]2(C)CC[C@@H](C)[C@](C)(CC[C@@H](C)CC(=O)O)[C@H]2C1 85842165 FPDCHHKVQLVTGK-UQVWTVIVSA-N 364.526 5.218 0 1 FKAF Clc1ncccc1Oc1cc2c(c3ncccc13)Oc1ncccc1O2 103295136 ZLKIVCGIMSKCAP-UHFFFAOYSA-N 363.760 5.369 0 1 FKAF CN1CC=C2CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 169211458 WUXVZBVAUIWYOU-XFASLETNSA-N 362.561 5.579 0 1 FKAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 586891595 UJUFJLUURKANCM-UGSOOPFHSA-N 373.294 5.088 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1 586962697 GRYFJPWLSWIODI-JTQLQIEISA-N 363.280 5.025 0 1 FKAF CCCCC[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990074 IQYWELLHWYHNDA-HNNXBMFYSA-N 371.480 5.837 0 1 FKAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587061667 HHYYKNBZYNIDJN-CYBMUJFWSA-N 372.749 5.904 0 1 FKAF O=C(Cc1ccc(Cl)cc1)c1nc2cc(SC(F)(F)F)ccc2[nH]1 587070807 IADWEPKRRPMDMI-UHFFFAOYSA-N 370.783 5.254 0 1 FKAF Cc1ccc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2c1C 587074939 BHZPCSSITXJAEM-UHFFFAOYSA-N 367.836 5.376 0 1 FKAF Cc1ccc2c3c(cc(-c4cc5ccccn5c4)nc13)-c1ccccc1C2=O 587098835 WRFYAVMAMOKXSL-UHFFFAOYSA-N 360.416 5.674 0 1 FKAF Cc1cc(C)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1C 587099550 MGOZAJUMDDFMRV-UHFFFAOYSA-N 363.460 6.347 0 1 FKAF O=C(c1nc2cc3ccccc3cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133631 WWYZLXJTQOAIND-UHFFFAOYSA-N 359.187 5.393 0 1 FKAF Cc1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Cl 587226042 OEJYYPJZBNYFIL-MRXNPFEDSA-N 363.889 5.281 0 1 FKAF COc1cccc(-c2c(C3CCCCCC3)cnc3c2oc2ccccc23)c1 587366868 NSCKGABCTXRHAR-UHFFFAOYSA-N 371.480 7.094 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](CC1CCC1)(c1ccccc1)CC2=O 587490665 TUUMAIYEZJOLMI-HSZRJFAPSA-N 350.458 5.396 0 1 FKAF O=C1C[C@@](c2ccccc2)(c2ccccc2F)Oc2c1ccc1c2CCCC1 587504752 NFMWKFMIIQASJW-RUZDIDTESA-N 372.439 5.614 0 1 FKAF COc1cccc([C@@]2(C(C)(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525558 PWAVWCPNLBRFQG-XMMPIXPASA-N 364.485 5.481 0 1 FKAF Cc1cc(C)c2c(c1)CC(C)(C)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587526042 QATIMXFZRRXXEY-AREMUKBSSA-N 374.524 6.015 0 1 FKAF Cc1ccc(C)c(-c2n[nH]cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527201 TXSLXXIYLWVBJI-JOCHJYFZSA-N 372.468 5.279 0 1 FKAF C[C@]1(c2cc3sccc3s2)CC(=O)c2ccc3c(c2O1)CCCC3 587538051 MMJAXOXIDMAXRZ-HXUWFJFHSA-N 354.496 5.722 0 1 FKAF CC(C)c1[nH]c2c(C(=O)O)cccc2c1-c1ccccc1Br 587636871 NAFHIKKPDMEMMH-UHFFFAOYSA-N 358.235 5.419 0 1 FKAF CC(C)=CC[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587815976 RZEINKPKLDMHPH-KZULUSFZSA-N 352.291 5.084 0 1 FKAF Oc1ccc(-c2cc(-c3cccc(Cl)c3)nc3c2Cc2ccccc2-3)cc1 653739775 PYBPBZMYOLUYDH-UHFFFAOYSA-N 369.851 6.346 0 1 FKAF O=C1c2c(cccc2OCCC2CCCCC2)C[C@H]1Cc1ccc(O)cc1 1857630638 FTPKAYAVNLEDIJ-HXUWFJFHSA-N 364.485 5.339 0 1 FKAF C[C@]12CCC3=C(C=CC4=C(C3)[C@@H]3C[C@H](C4)O3)[C@H]1CC[C@@H]2c1ccc(=O)oc1 1857759985 FQKYABDIYZYQGA-REWGZKINSA-N 362.469 5.048 0 1 FKAF C[C@@H]([C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356622568 IHGKQRLXUYWOQB-ZCHBMYMGSA-N 374.657 5.526 0 1 FKAF CC(C)Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(F)cc1 2382254507 PQCKJCWVPQNKIJ-UHFFFAOYSA-N 374.506 5.139 0 1 FKAF O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]1c1cc(-c3ccccc3)ccc12 102872463 DBPORHOBQZRQDR-URXFXBBRSA-N 369.464 5.925 0 3 FKAF CCCCN(CCCC)C[C@@H](O)c1ccc2cc(Cl)cc(Cl)c2n1 5837818 BXGKQBBUTRQTOV-GOSISDBHSA-N 369.336 5.477 0 1 FKAF Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2cc(-c4ccccc4)no2)N3C)cc1 13532686 SSEYJTZXHQMBJU-IKJKNFHUSA-N 358.485 5.384 0 1 FKAF CCCCCCc1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 13561274 HGYFHYLLIIGZHS-UHFFFAOYSA-N 374.315 6.364 0 1 FKAF CCCc1sc(-c2ccccc2)nc1OC(=O)OCc1ccccc1 13822623 NQEGWFRYXLBHCF-UHFFFAOYSA-N 353.443 5.478 0 1 FKAF CCCCCC[C@@H]1Cc2cc3c(cc2O1)OC[C@H]1c2cc(O)ccc2O[C@@H]31 14439163 RHVATCHRZSZOTC-ICPLQIHGSA-N 366.457 5.276 0 1 FKAF biogenic CCCC[C@@H](C)Oc1c(OC)cc(N[C@@H](C)CCCN)c2ncc(C)cc12 28218510 BZXQSWWSPPMCCV-DLBZAZTESA-N 373.541 5.049 0 1 FKAF Cc1c(OCCCCSc2ccncc2)ccc(C(=O)CC(C)C)c1O 28352678 BBMHENISQZYUSJ-UHFFFAOYSA-N 373.518 5.276 0 1 FKAF CNc1cccc(Nc2c3ccccc3nc3sc(SC)nc23)c1 29131242 VBYVYORGHDUCSQ-UHFFFAOYSA-N 352.488 5.352 0 1 FKAF CCCCCCSc1cc(Cl)c(C(=O)CCN(C)C)cc1Cl 43074869 STBRKDPOEHLRAR-UHFFFAOYSA-N 362.366 5.800 0 1 FKAF CCCCCOc1ccc([C@](C)(O)/C=C/[C@@H]2C(C)=CCCC2(C)C)cc1 49066589 OGMUENNXEHXDIX-XWOZOOQFSA-N 356.550 6.402 0 1 FKAF CCCC[C@]12Cc3c(ccc4ccccc34)[C@@H](O1)c1c(cc(C)oc1=O)O2 102901219 RQNQTJSVAIXCOL-FYYLOGMGSA-N 362.425 5.042 0 1 FKAF CCCC[C@H](CC)[C@@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 169316719 KCOVIXLDRHLDSU-UJNCTYGFSA-N 366.542 5.140 0 1 FKAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccc(F)cc2)c1 218325601 NXJPIUKYIXFKBP-JOCHJYFZSA-N 374.415 5.352 0 1 FKAF COC(=O)C[C@H](C)CCC/C(C)=C/CCc1coc(Cc2ccoc2)c1 238758119 WXLAGSLEOPLNHU-ROTVFRRXSA-N 358.478 5.712 0 1 FKAF CCCCn1c(/C=C/c2ccc(Cl)cc2Cl)nc2ccccc2c1=O 299864708 RYIVBROWLOUSSQ-PKNBQFBNSA-N 373.283 5.674 0 1 FKAF COc1ccc(C=O)c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)oc12 586903782 MZOVIDWKBKHVMN-UHFFFAOYSA-N 361.184 5.104 0 1 FKAF Cc1ccc2c3c(cc(-c4c(F)cccc4F)nc13)-c1ccccc1C2=O 586996940 WSJHQUBCXPWIFV-UHFFFAOYSA-N 357.359 5.700 0 1 FKAF Cc1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1Br 587025914 PHSUGLXBAZHLMD-UHFFFAOYSA-N 369.287 6.029 0 1 FKAF FC(F)(F)c1cccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587051361 WJQPLTQMIPBPAA-UHFFFAOYSA-N 361.754 5.693 0 1 FKAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587069376 IZKIQWZVTUZQJQ-SSDOTTSWSA-N 370.733 5.149 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cncnc2[nH]1 587070481 HKFPJMVMOOAOOH-VWRIWJQFSA-N 359.260 5.026 0 1 FKAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(C)cc(Br)cc3[nH]2)n1 587080947 VQNCJFJIZBPHNS-SECBINFHSA-N 367.678 5.122 0 1 FKAF Cc1ccc2c3c(cc(-c4cc5ccccc5o4)nc13)-c1ccccc1C2=O 587100647 DQEKTZSZTHUFCB-UHFFFAOYSA-N 361.400 6.168 0 1 FKAF CC/C=C\CCCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587101402 SRQWQSJTCMZMDM-PLNGDYQASA-N 369.508 6.824 0 1 FKAF CC1=CC[C@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587349466 CBCMARNFSYMGIQ-JFJYTDJESA-N 366.432 5.395 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CC(C)(C)C)(c1ccccc1)CC2=O 587487595 FSHCDHQSDXMVSY-HSZRJFAPSA-N 352.474 5.642 0 1 FKAF C[C@H](c1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502837 BLCRQBPNCPMKNU-ZUOKHONESA-N 374.402 5.722 0 1 FKAF Clc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2n1 587783566 CMZZRKHKYFTHFB-MDWZMJQESA-N 361.832 5.361 0 1 FKAF CC[C@@H]1CC[C@H](C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587824069 TWFSNDHCFBRHRN-PZOITXESSA-N 354.307 5.164 0 1 FKAF CC[C@@]1(c2ccsc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587846971 VPKMRFGHSXFYFV-BTDLBPIBSA-N 368.315 5.146 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Cl)s2)N1 587849853 WPTJZLQAPNCYLW-VXJOIVPMSA-N 374.706 5.101 0 1 FKAF FC(F)(F)c1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cn1 587956693 UTKZJGSHTPKXEC-MRXNPFEDSA-N 367.374 5.351 0 1 FKAF c1ccc2c(c1)Sc1cccnc1N2CCCCCCN1CCCC1 653704583 DWXHGPSLYBTJRB-UHFFFAOYSA-N 353.535 5.341 0 1 FKAF COc1cc(NC(=N)c2ccccn2)ccc1-c1ccc(-c2ccccc2)o1 653713156 JKQOAIMARGUNIP-UHFFFAOYSA-N 369.424 5.455 0 1 FKAF Cc1ccc(CCC[C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1C 962667890 MOJRKHAEXBNEPT-AREMUKBSSA-N 355.525 6.180 0 1 FKAF CSc1ccccc1[C@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962695831 FVVWFDOGONPCLV-BTYIYWSLSA-N 373.562 5.175 0 1 FKAF CC1=CN2C(=NC(/C=C/c3ccc(C)cc3)=C[C@H]2c2ccc(C)cc2)S1 2382231552 AKAOBYYLHJCLKU-FLSMSTFGSA-N 358.510 6.222 0 1 FKAF CC(C)=CCC[C@H](C)C[C@@H]1Cc2[nH]nc(O)c2[C@@H](c2ccc(F)cc2)O1 95567834 CYNXFOPQKSKYSU-JNAXZKDPSA-N 358.457 5.058 0 3 FKAF OC/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 28466412 AXTNQHRLMSJADG-OWOJBTEDSA-N 360.497 5.533 0 1 FKAF O=C(Nc1ccccc1)c1csc(Cc2c(Cl)cccc2Cl)n1 28530549 VZVICJQXFQVLDH-UHFFFAOYSA-N 363.269 5.293 0 1 FKAF Cc1c(Oc2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)O 29464484 HWJMQFBEFAYRMT-UHFFFAOYSA-N 373.383 5.840 0 1 FKAF CC(=C/C=C/C(C)=C/C(=O)O)/C=C1\CCCC(c2ccccc2)=C1C(C)C 35942372 OGPCAFPMTHWNOM-NUXCVKLASA-N 362.513 6.740 0 1 FKAF CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)NC(C)C 38146750 WBSLDSCOACRTJM-AIBIWWTJSA-N 360.586 6.450 0 1 FKAF CC1(C)C[C@@H](NC(=O)Nc2ccc(Cl)cc2)c2cc(Cl)ccc2O1 38224589 XCNTZWMMYVKZPH-OAHLLOKOSA-N 365.260 5.417 0 1 FKAF CCCC/C=C/C=C/CCCCCCCCOC(=O)/C=C/c1ccccc1 70455454 DNAHWQAKHYPIOQ-WOFLFUJHSA-N 368.561 7.276 0 1 FKAF biogenic,in-vitro Cc1nc(-c2cnc(NCC3CCCCC3)nc2-c2ccco2)oc1C 82165481 JZKAFWXEQVVRKS-UHFFFAOYSA-N 352.438 5.001 0 1 FKAF CNc1nc(-c2cccc(-c3ccccc3)c2)cc2cc(OC)c(OC)cc12 95558182 CHHJPVLTNDBBQG-UHFFFAOYSA-N 370.452 5.628 0 1 FKAF Cc1ccc([S@@](=O)(=Nc2ccccc2)[C@H](C(C)C)C(C)(C)Cl)cc1 102947013 DVFUUDXSWUKQSE-DVECYGJZSA-N 363.954 6.196 0 1 FKAF Cn1ccc2cc(-c3ccc4nc(N5Cc6ccccc6C5)oc4c3)ccc21 169326050 BCVLOOHHYPIHBK-UHFFFAOYSA-N 365.436 5.507 0 1 FKAF CCCCC/C=C\C=C\[C@H](O)C/C=C\C/C=C/C/C=C\CCCCC(=O)O 238785766 WCPFNHAOKQUJEV-VFNQJYNGSA-N 374.565 6.524 0 1 FKAF CCN(c1ccc(OC[C@H](C)CF)c(C(C)C)c1)c1ccc(C(=O)O)cn1 299851593 GZUNYNSCGWSKRA-OAHLLOKOSA-N 374.456 5.046 0 1 FKAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 586894025 XNCXMSQYXGVXSX-GAJHUEQPSA-N 372.468 5.287 0 1 FKAF O[C@H]1C[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)c2ccccc21 586904439 UAWPWTZHLFWKIJ-RXVVDRJESA-N 358.466 5.283 0 1 FKAF CCCC(Br)(CCC)c1nc2c(Cl)c(Cl)cnc2[nH]1 586970157 ATAZHDSOHSXKAZ-UHFFFAOYSA-N 365.102 5.455 0 1 FKAF CC(C)(C)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587075731 JRAGYIAKLCHNRL-HXUWFJFHSA-N 367.924 5.851 0 1 FKAF Cc1ccc2c3c(c(C[C@H]4C[C@H]5CC[C@H]4C5)cnc13)-c1ccccc1C2=O 587100864 PRYADSFISZHCMH-YESZJQIVSA-N 353.465 5.733 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc(-n4cccc4)c3)nc3cccc1c23 587103699 ABVGGEGXSJMOER-UHFFFAOYSA-N 372.427 5.904 0 1 FKAF Oc1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 587158717 KWCBJYRKKKLMBG-IBGZPJMESA-N 368.795 5.229 0 1 FKAF Fc1ccc2[nH]c(-c3nc4cccc(C(F)(F)F)c4[nH]3)c(Cl)c2c1 587175102 PXBRHJISWHGEKT-UHFFFAOYSA-N 353.706 5.523 0 1 FKAF CCc1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587190509 IEVKPYFPUWULSR-LJQANCHMSA-N 365.477 5.082 0 1 FKAF Cc1ccc(NC2(c3nc4cc(Cl)c(Cl)cc4[nH]3)CCCC2)cc1 587237524 RZWIIHDKLKZKFP-UHFFFAOYSA-N 360.288 6.060 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 587250641 OKOJQLWRUJWBQZ-UHFFFAOYSA-N 371.337 5.637 0 1 FKAF C[C@@H]1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587354460 QRRSEIMGOPMLQO-MQWOPBJLSA-N 374.411 5.293 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccn(-c3ccccc3C)c1)CC2=O 587471788 UZNVCUDKCDKSRR-QFIPXVFZSA-N 361.441 5.150 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccccc3)cc1)CC2=O 587475528 AMFNIXNUUBYJJG-HSZRJFAPSA-N 374.436 5.844 0 1 FKAF C[C@]1(c2cnc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587499022 KISXQKNYZDQTJG-LJQANCHMSA-N 362.256 5.148 0 1 FKAF O=C1C[C@@H](c2ccc([C@@H]3CCCCO3)o2)Oc2c1ccc1c2CCCC1 587534626 WVMNSDICRZNYBX-RXVVDRJESA-N 352.430 5.107 0 1 FKAF CCCOc1cccc(Cc2nc3cc(C)cc(Br)c3[nH]2)c1 587570796 YSJPFDRGEZZVEE-UHFFFAOYSA-N 359.267 5.013 0 1 FKAF Cc1ccc(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)nc1 587627677 IARSIQGEQQWGJF-UHFFFAOYSA-N 358.285 5.884 0 1 FKAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(F)cc1Br 587629039 DBHUVKZPQYXCBO-UHFFFAOYSA-N 356.597 5.837 0 1 FKAF Cc1nc2ccccc2c(Cl)c1Cc1c(C)[nH]c2c(C(=O)O)cccc12 587638894 SHSKUVDBJRDGQN-UHFFFAOYSA-N 364.832 5.275 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(F)=C(F)F)N1 587702126 DAJHXIBDCPDLRV-VXJOIVPMSA-N 366.196 5.195 0 1 FKAF C[C@H](Cc1nc(-c2cccc(Cl)c2)cs1)n1ccc(C(F)(F)F)n1 587920056 CBUWHDPNAVMVMU-SNVBAGLBSA-N 371.815 5.483 0 1 FKAF Clc1cccc(-c2csc(COc3ccc(Cl)cc3Cl)n2)c1 587920926 RKAYBQHOSHOAGK-UHFFFAOYSA-N 370.688 6.349 0 1 FKAF Cc1cc2c(cc1F)[C@@](CC(C)(C)C)(c1cc(F)c(F)c(F)c1)NCC2 962093651 QSLYKUCYBKSXNY-OAQYLSRUSA-N 365.414 5.377 0 1 FKAF CCOC(=O)[C@H](CC(C)(C)C)[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962667686 PJSXYINKVDMZBV-FGZHOGPDSA-N 365.517 5.156 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cn(-c2cccc(F)c2)nc1C 963227564 JPKWNGFTFMTEHT-QMHKHESXSA-N 363.480 5.066 0 1 FKAF CN(C/C=C/c1ccc(-c2ccccc2)cc1)Cc1cccc2cc[nH]c12 1772579631 PBLGFKIDWBNJHC-VOTSOKGWSA-N 352.481 5.980 0 1 FKAF Clc1ccc(-c2[nH]ncc2C=C2c3cccnc3-c3ncccc32)cc1 1857552562 OMCAJSUEYMOKLB-UHFFFAOYSA-N 356.816 5.089 0 1 FKAF COc1cc(-c2csc(=S)n2Cc2ccccc2)cc(OC)c1OC 1857563250 QFUGDLLPCJJWEK-UHFFFAOYSA-N 373.499 5.020 0 1 FKAF CC1=CC[C@H](O)[C@]2(C)[C@H](OC(=O)C=Cc3ccccc3)C[C@H](C(C)C)C[C@H]12 2356443215 DNSYTDAEXWUCHW-WKKMNAASSA-N 368.517 5.011 0 1 FKAF COc1cc(C(=O)O[C@H]2C=C(C)CCC=C(C)CC[C@@H]2C(C)C)ccc1O 2356664303 PQAYAZRCPJMQRB-CTNGQTDRSA-N 372.505 5.665 0 1 FKAF CC(=CCCc1ccoc1)CCC=C(C)CC[C@H](O)[C@@]1(C)CCC(=O)O1 2356725294 CQHXGGUREVDGGK-RBBKRZOGSA-N 360.494 5.122 0 1 FKAF Cn1ccc2c(N(c3ccccc3)C3CCCCC3)cc3c(c21)[C@H]1CC[C@H]3O1 102855507 ZDRFIANKQIHINK-DHIUTWEWSA-N 372.512 6.555 0 3 FKAF CC(C)C[C@@H](Sc1ccccc1)c1c(O)cc(-c2ccccc2)oc1=O 9132962 XFVAZZZKQWGAJJ-HXUWFJFHSA-N 366.482 5.892 0 1 FKAF O=C(Nc1cc(Cl)ccc1C(=O)O)Nc1ccccc1-c1ccccc1 13531845 DCLLIIGZJAINFF-UHFFFAOYSA-N 366.804 5.349 0 1 FKAF CCO[C@@H]1C[C@H]2C(C)(C)CCC[C@@]2(C)c2c1cc(C(C)C)c(OC)c2O 14410916 MGAOUXBZMKOBML-IEGUWTFLSA-N 360.538 6.090 0 1 FKAF biogenic c1ccc(OCCCCCCCCCCCCOc2ccccc2)cc1 15146156 MGDFXJZWAHCAMS-UHFFFAOYSA-N 354.534 7.045 0 1 FKAF endogenous,in-man CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1cc(=O)oc2ccccc12 28087082 LKSOWFDDMCSTFC-NKFKFSAASA-N 366.501 6.591 0 1 FKAF CCN1[C@@H](CC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CCC1(C)C 28351316 JMUXXPVTXZBUDS-ATWVFEABSA-N 361.570 5.034 0 1 FKAF CC[C@@H](C)CCCCCCCCCCCCCCCCCCCC(=O)O 33822077 ZFMBTKXCQZOFGH-HSZRJFAPSA-N 368.646 8.529 0 1 FKAF biogenic CC(C)CCCCCCCCCCCCCNc1ccc(C(=O)O)cc1 40817991 CLKYXKICQFXRGB-UHFFFAOYSA-N 361.570 7.134 0 1 FKAF COc1ccccc1C[C@@H](Cc1ccc(-c2ccccc2)cc1)n1ccnc1 40952338 OMHFLHBBISSYIZ-XMMPIXPASA-N 368.480 5.585 0 1 FKAF O=C(c1cn(CC2CCOCC2)c2ccccc12)[C@@H]1CC12CCCCC2 45260225 UFZQKWQOEXXMRC-FQEVSTJZSA-N 351.490 5.221 0 1 FKAF O=C(c1cccs1)N1CCC[C@H]1c1ccc(-c2cccc(Cl)c2)nc1 72176622 ILFNJXKQDRVMOX-SFHVURJKSA-N 368.889 5.441 0 1 FKAF Cc1nc(-c2cnc(NCC3CCCCC3)nc2-c2ccco2)sc1C 82165489 PYNROBRVMSMKLH-UHFFFAOYSA-N 368.506 5.469 0 1 FKAF CCCCOc1cc(NC(=O)N[C@@H](CC)c2ccccc2)ccc1OC 95561692 LGYACOSDRBRDFJ-SFHVURJKSA-N 356.466 5.147 0 1 FKAF O=C(C[C@H](Nc1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O 103170288 JOOQNLLABYGUMX-NRFANRHFSA-N 369.420 5.219 0 1 FKAF O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1F)c1ccsc12 167768059 WPARIKGIUWAENY-UHFFFAOYSA-N 356.353 5.170 0 1 FKAF Oc1ccccc1-c1nc2ccc(Nc3ccnc4ccccc34)cc2[nH]1 299834395 XOOYCHXGVIYBRZ-UHFFFAOYSA-N 352.397 5.227 0 1 FKAF CC(=O)O[C@]1(C)CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O 504550541 UUVHOZKAPKYWRN-ICAIUHKLSA-N 366.542 5.442 0 1 FKAF biogenic CCCC(Br)(CCC)c1nc2cccc(C(C)(C)C)c2[nH]1 586971399 RKSMUJMYNLOAOY-UHFFFAOYSA-N 351.332 6.051 0 1 FKAF Cc1ccc2c3c(cc(-c4ccccc4N(C)C)nc13)-c1ccccc1C2=O 586996858 QDEZBYYLVKMLJU-UHFFFAOYSA-N 364.448 5.488 0 1 FKAF Fc1cc(Br)cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587024149 XALZKLCOYCLWQP-UHFFFAOYSA-N 374.238 5.255 0 1 FKAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)cccc4[nH]3)c21 587032175 ZQRHUZCJUOOMAX-GFCCVEGCSA-N 367.905 6.175 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4c(F)cc(Br)cc4[nH]3)cc2C1 587034862 ZWWILLUNKIRLGJ-MRVPVSSYSA-N 365.271 5.318 0 1 FKAF COc1cc(/C=C/c2nc3cc(C)cnc3[nH]2)cc(Cl)c1OCC(C)C 587046034 COVIOUTXXLIIHX-AATRIKPKSA-N 371.868 5.134 0 1 FKAF CC[C@H](Oc1ccccc1Cl)c1nc2cccc(OC(F)(F)F)c2[nH]1 587062975 YOTJOMDLPZQXHX-LBPRGKRZSA-N 370.758 5.645 0 1 FKAF Clc1cccc(COc2ccc(-c3nc4nc(Cl)ccc4[nH]3)cc2)c1 587070391 IKXMGODRAUFMIB-UHFFFAOYSA-N 370.239 5.511 0 1 FKAF Cc1cc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c(C)n1 587072000 RROATGVBEPHKEB-UHFFFAOYSA-N 369.255 5.611 0 1 FKAF Cc1ccc2c(c1)-c1nc3c(C)ccc4c3c(c1CC2)-c1ccccc1C4=O 587099969 BQHSDULOIPLEIU-UHFFFAOYSA-N 361.444 5.829 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)Cc1cc(Cl)ccc1C3 587104537 SYBABMHTKFBAEK-UHFFFAOYSA-N 367.835 5.595 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 587112962 ISDCBHAJFFFLTF-ZDUSSCGKSA-N 360.423 6.225 0 1 FKAF Cn1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(C(F)(F)F)c1 587114973 BMOCFRNGZLBPAR-UHFFFAOYSA-N 357.335 5.380 0 1 FKAF Fc1cc(F)c2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 587152195 XJTFFRMVYDFELD-IBGZPJMESA-N 372.321 5.288 0 1 FKAF O=C(O)c1ccc(-c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)cc1 587215256 KIBRAOCCTYFLFP-UHFFFAOYSA-N 351.405 5.366 0 1 FKAF COc1cccc(-c2cc(-c3ccc(N)cc3)nc3c2oc2ccccc23)c1 587364057 ZTRXGTXIMDMRFY-UHFFFAOYSA-N 366.420 5.906 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C(C)=O)CCC3)c1 587364815 DBXWPXXURFDKQE-KRWDZBQOSA-N 371.436 5.666 0 1 FKAF Cc1ccc(COc2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587401404 XOFHSJUJZYPWLL-HSZRJFAPSA-N 373.452 5.171 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(c1ccccc1)c1ccccc1)O2 587403630 PEYVOMLPNDOYKI-DEOSSOPVSA-N 357.453 5.133 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(Cc1ccccc1)Cc1ccccc1)O2 587406593 SRFIJPCGDOJVGV-XMMPIXPASA-N 371.480 5.013 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)c(CC)c1)CC2=O 587480791 PJJPIEMCKVQFLQ-NRFANRHFSA-N 354.446 5.012 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1c[nH]c3ccccc13)CC2=O 587482735 KAHPTNHZLZUCNI-QHCPKHFHSA-N 363.457 5.183 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(CSc1ccc(C)cc1)CC2=O 587489596 CTUNMKWUPKSCAO-NRFANRHFSA-N 356.487 5.169 0 1 FKAF CC(C)[C@]1(CCc2cccc(N)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587509610 HWRKLQGTAVWIML-DEOSSOPVSA-N 363.501 5.140 0 1 FKAF O=C1C[C@@H](C2CCC(c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587526243 RVJBFMOMAHGUSQ-IWRZYZMASA-N 360.497 5.873 0 1 FKAF CC(C)[C@@]1(c2ccc3c(c2)CCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587535580 LMYOUBYFYWVIQG-XMMPIXPASA-N 362.469 5.017 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(-c3ccccc3Cl)c2c1 587639611 APBKAZRDEREZLA-NSHDSACASA-N 351.799 7.021 0 1 FKAF Cc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587818204 GRSKEHHBKFKDFA-BFUOFWGJSA-N 362.286 5.137 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C)CC2CCCCC2)N1 587821439 VAUBSBBGRJENDO-VLXJIEOASA-N 368.334 5.770 0 1 FKAF CC[C@@]1(c2ccc(C)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587846189 HBDRDIBQEJCMKQ-DYZYQPBXSA-N 368.315 5.146 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(SC(F)F)cc2)N1 962944809 FPRCMCCLNVNPDT-SZNDQCEHSA-N 372.484 5.670 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]21c2ccccc2COc2ccccc21 963110420 MWBLNBYATSWYHF-NBGIEHNGSA-N 371.455 5.031 0 1 FKAF Clc1ccc2sc(CCCCN3CCc4ccccc4C3)nc2c1 1772604754 BTSMIVQFEUCDAW-UHFFFAOYSA-N 356.922 5.331 0 1 FKAF COc1cccc(-c2ccc(CN[C@H](C)Cc3cn(C)c4ccccc34)o2)c1 1857542207 XNQAYMOFBULCPG-QGZVFWFLSA-N 374.484 5.168 0 1 FKAF CC(=O)O[C@H](CC(C)=CC(=O)O)[C@@]1(C)[C@H]2CCC=C(C)[C@@]2(C)CC[C@H]1C 2356550622 QMNGBVSRMNPSBB-YICCBXQDSA-N 362.510 5.138 0 1 FKAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@H]1CCC2=O 2356674577 NIXXKMPUWREKQR-URCPRUGQSA-N 372.549 5.430 0 1 FKAF Clc1cccc(-c2nc3ccc(Cl)cn3c2Cc2ccccc2)c1 72136664 POAITPQPHDSAHS-UHFFFAOYSA-N 353.252 5.899 0 3 FKAF CCCCCc1cc2c(c(O)c1C(=O)OC)-c1cc(C)ccc1C(C)(C)O2 13383016 WXUIBYPBAKIMIT-UHFFFAOYSA-N 368.473 5.514 0 1 FKAF biogenic O=C(CC1CCN(CCc2ccc(Cl)cc2)CC1)c1ccc(F)cc1 13729943 IHZMBRPMQIFTMC-UHFFFAOYSA-N 359.872 5.007 0 1 FKAF CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)CC[C@@H]3c1ccccc1 26280433 MWMIYAJDAPUMAJ-KOSHJBKYSA-N 361.485 5.779 0 1 FKAF NCCCCCCCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 28957544 VYOIYVHMCXTTJT-UHFFFAOYSA-N 369.597 5.817 0 1 FKAF CCCCCCOc1ccc(C(=O)CCN(C)C)cc1Cc1ccccc1 43010504 RNVLEROEFHPZRN-UHFFFAOYSA-N 367.533 5.371 0 1 FKAF COc1cc2c(cc1Cl)CCN[C@H]2Cc1ccc(Cl)cc1Cl 45259665 KURLGTMWNJTVCR-INIZCTEOSA-N 356.680 5.085 0 1 FKAF COc1ccc2occ(CCN3CC=C(c4c[nH]c5ccccc45)CC3)c2c1 45364625 RXVKGDHVYOJJTH-UHFFFAOYSA-N 372.468 5.255 0 1 FKAF Brc1ccc(-c2nc(CNCCC3=CCCCC3)co2)cc1 72101173 VNHOCUSRNYXZAJ-UHFFFAOYSA-N 361.283 5.084 0 1 FKAF CC(C)(C)c1ccc(-c2cc(NC3CCC(C(C)(C)C)CC3)ncn2)cc1 82162407 BCRILUXODZQTGU-UHFFFAOYSA-N 365.565 6.458 0 1 FKAF Cc1ccc(C2=N[C@@H](c3ccc(C)cc3)c3c(ccc4ccccc34)O2)cc1 84732078 PHRKKHWZWSCXCY-VWLOTQADSA-N 363.460 6.385 0 1 FKAF Cc1csc(-c2nc(C3CCCC3)[nH]c2-c2ccc3ncsc3c2)n1 95562095 ASZJMRGRYXZUCO-UHFFFAOYSA-N 366.515 5.776 0 1 FKAF CC[C@H](COc1cc(Cl)cc(Cl)c1)OC(=O)NCc1ccccc1 103194006 KBBQWDMNUIBGNP-MRXNPFEDSA-N 368.260 5.077 0 1 FKAF O=C(CCCCCOc1cccc(OCc2ccccc2)c1)C(F)(F)F 115388098 BIEWGHLHPFWSBE-UHFFFAOYSA-N 366.379 5.336 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3O)cc(-c3ccccc3O)n2)cc1 299834579 ZDEMCDQSAVCEQD-UHFFFAOYSA-N 355.393 5.199 0 1 FKAF CC(C)(C)[C@H]1CCc2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O 586989603 CJYNCAKQMPXXBS-CQSZACIVSA-N 371.480 5.693 0 1 FKAF COc1cc(/C=C\c2nc3ccc(C)nc3[nH]2)cc(Cl)c1OCC(C)C 587046857 NMRNALISRLATII-VURMDHGXSA-N 371.868 5.134 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc12 587093437 MKTUSRYSFXTBLT-UHFFFAOYSA-N 358.285 5.884 0 1 FKAF Cc1ccc2c3c(cc(C[C@H]4CCCCC4=O)nc13)-c1ccccc1C2=O 587099972 BQZGWALCWOLURI-OAHLLOKOSA-N 355.437 5.056 0 1 FKAF CC1(C)CC(C)(C)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354883 OXHNALBCUGIMNV-WMZHIEFXSA-N 368.448 5.475 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)C[C@@H]2CC3)c1 587367835 XQPRCQYRHYYDST-OWJWWREXSA-N 355.437 5.880 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3ccc(Cl)c(Cl)c3n1)O2 587380877 XRMDSBAIODVIOY-MRXNPFEDSA-N 373.239 5.139 0 1 FKAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O 587446082 SUJOSGBFNZHASX-SQJMNOBHSA-N 370.448 5.003 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn(CC)c3ccccc13)CC2=O 587479114 YQSSZKXYIBSCJF-HSZRJFAPSA-N 363.457 5.200 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@](C)(CC)Oc2ccccc21 587484116 RYCWVVBGOYHPIX-DHIUTWEWSA-N 366.457 5.157 0 1 FKAF Cc1nn(CC(C)C)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497003 DJHYLANFUBBYHE-GOSISDBHSA-N 372.896 5.086 0 1 FKAF O=C1C[C@H](c2ccc(-c3ccncc3)cc2)Oc2c1ccc1c2CCCC1 587516032 TVSQRCZZSPLTJL-HSZRJFAPSA-N 355.437 5.334 0 1 FKAF C[C@]1(c2ccc3cccc4c3c2CC4)CC(=O)c2ccc3c(c2O1)CCCC3 587523319 LENMQIWVLBPNDS-AREMUKBSSA-N 368.476 5.698 0 1 FKAF COc1ccc2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587526936 SYNAZRUQVUAQIX-QFIPXVFZSA-N 358.437 5.434 0 1 FKAF Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587695443 NRCDVXBPDXUSPF-QGHHPUGFSA-N 368.677 5.174 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC2(C)C)N1 587818168 CIHYCNCRENWJLP-ZMZPIMSZSA-N 354.307 5.164 0 1 FKAF O=C(c1cc(C2CC2)nc2ccccc12)n1nc2cc1Oc1ccc(F)cc1-2 587875977 WYWWGXFQIBWZGH-UHFFFAOYSA-N 371.371 4.909 0 1 FKAF CC(C)COc1cc2nc([C@@H]3CC=CC[C@H]3C)[nH]c2cc1Br 587968349 ZLTDOLPOYXQMAF-CHWSQXEVSA-N 363.299 5.430 0 1 FKAF CC(C)Nc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccccc2)c1 1857576674 CENRJWPGBVYYOI-UHFFFAOYSA-N 372.394 5.726 0 1 FKAF Clc1ccc(Nc2cc3oc(-c4ccccc4)nc3c3ccccc23)cc1 1857750269 FEVXNVYXLPMVLZ-UHFFFAOYSA-N 370.839 7.045 0 1 FKAF CC(C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 2356453883 PISAKMAGVQHRRZ-IFXNPRIJSA-N 370.621 6.775 0 1 FKAF CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H](C)C(C)(C)C 2382259873 SZIKLZQOULICIS-JXQNPEIESA-N 363.630 7.351 0 1 FKAF C[C@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)C1(O)c1ccccc1 5551210 HEXUVKQFPIUPML-RSCYBXQCSA-N 371.524 5.574 0 1 FKAF Nc1sc(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 13518316 NHNFSWUZQVJEQE-UHFFFAOYSA-N 355.462 5.895 0 1 FKAF C1=C(c2ccc(CCc3ccccc3)cc2)N2CCCN=C2c2ccccc21 13555258 IDWFDCHPOWAECB-UHFFFAOYSA-N 364.492 5.436 0 1 FKAF CCCN(CC1CC1)C(=O)c1sc(Nc2c(C)cc(C)cc2C)nc1C 13587334 IAWDLGWSEFUVRL-UHFFFAOYSA-N 371.550 5.383 0 1 FKAF CC(C)(C)C(=O)Sc1ccc(F)cc1NC(=O)C1(C)CCCCC1 26575664 SGCROIGAFBMFJO-UHFFFAOYSA-N 351.487 5.399 0 1 FKAF CC1=C(c2ccc(O)cc2)[C@H](CCCCN2CCCC2)c2ccc(O)cc21 26577885 RPTJMEGQRQTAMZ-JOCHJYFZSA-N 363.501 5.392 0 1 FKAF COC1=CC2=N/C1=C\c1ccc([nH]1)CCCC/C=C/CCCc1ccc2o1 34816479 HJMNUBVHAOYKGT-UJVBTLCPSA-N 362.473 5.587 0 1 FKAF c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CNC1CCCCC1 40566863 MGEHNFSMBKQYIC-UHFFFAOYSA-N 362.561 5.762 0 1 FKAF CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2C)c1 43072617 UOCGOPWZUQBYRN-UHFFFAOYSA-N 363.505 5.167 0 1 FKAF c1cc(CN2CCCCC2)cc(-c2csc(-c3nc4ccccc4[nH]3)c2)c1 45229228 VHBRBPFMAGUZBO-UHFFFAOYSA-N 373.525 5.944 0 1 FKAF CC(=O)O[C@H](C/C(C)=C/C(=O)O)[C@]1(C)[C@H]2CCC=C(C)[C@]2(C)CC[C@H]1C 85841491 QMNGBVSRMNPSBB-WHCNRNLASA-N 362.510 5.138 0 1 FKAF CC1CCC(NCc2ccc3c(c2)CC2=C(c4ccccc4N)N=N[C@@H]23)CC1 89469178 KKVQKRNEOAWULZ-MXGUKEDJSA-N 372.516 5.411 0 1 FKAF COc1ccc2c(c1)[C@@]1(C)CCN(C)[C@@H](C2)[C@@]1(C)CCC(=O)CCC(C)C 169321860 GYGCKIALBAORQI-RBZQAINGSA-N 371.565 5.005 0 1 FKAF Cc1ccc(-c2cc([C@@H](O)CN3CCCCC3)c3cc(C)ccc3n2)cc1 169334791 YUKLPKIPEYYYGZ-DEOSSOPVSA-N 360.501 5.038 0 1 FKAF CC(C)=CC/C=C(\C)[C@H]1C/C=C(/CO)CC/C=C(\C)CC/C=C(\C)CC1 238757332 SCIBCHJAENBOSA-TWAJSZMJSA-N 356.594 7.461 0 1 FKAF CC(C)c1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(O)c(C(C)C)c1 586895949 CXVQJNGJRVJGSY-UHFFFAOYSA-N 363.461 5.067 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@@H]3C(F)(F)F 586985385 CNZGWYXULFCVKZ-LBPRGKRZSA-N 369.342 5.134 0 1 FKAF Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(F)c1F 586985834 GOZQRBCPOHXZPX-UHFFFAOYSA-N 373.358 5.405 0 1 FKAF O=C1c2ccccc2-c2cc(CCc3cccc(F)c3)nc3ccc(O)c1c23 586988523 KHBPDZCCZQDKBR-UHFFFAOYSA-N 369.395 5.076 0 1 FKAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cnccc2[nH]1 587070283 GWPZOVPVQRCLJG-XAMKJOQJSA-N 358.272 5.631 0 1 FKAF Fc1cc(C(F)(F)F)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 587084104 GGRXVGMMBKFENO-UHFFFAOYSA-N 350.102 5.090 0 1 FKAF Clc1nc(-c2nc3c4c(ccc3[nH]2)CCCC4)ccc1-c1ccccc1 587084359 ZWEKBHBVLLSDOG-UHFFFAOYSA-N 359.860 5.824 0 1 FKAF Nc1c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc2ccccc12 587254107 LUNWTGZKTUDPFD-UHFFFAOYSA-N 361.754 5.638 0 1 FKAF CC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352891 KEAWBCAAVLLYAV-GMAHTHKFSA-N 362.400 5.196 0 1 FKAF COc1cccc(-c2cc(-c3ccc(C)cn3)nc3c2oc2ccccc23)c1 587363430 NFAAJRLIMANFHI-UHFFFAOYSA-N 366.420 6.027 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2O[C@@]2(C)CC3)c1 587367003 VWXBPAFIXQQWCE-GOTSBHOMSA-N 357.409 5.433 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1CCc1ccccc1)CC2=O 587486010 WOEDXBKRSQTFGX-UUOWRZLLSA-N 364.485 5.482 0 1 FKAF Cc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3cc(Cl)c(F)cc23)cc1 587628834 RHBVYFRXYFUQHB-UHFFFAOYSA-N 370.254 7.256 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(-c3ccc(F)cc3)c2c1 587641853 KJQQXPLHVFJHRH-KRWDZBQOSA-N 357.472 7.463 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C3CCC3)cc2)N1 587824644 YCJAMQMYBWBLNI-MPBGBICISA-N 374.297 5.479 0 1 FKAF COc1ccc(-c2cccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)cc1 587934493 BGOVBWYJZOSBLW-UHFFFAOYSA-N 354.331 5.323 0 1 FKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cccc(I)c3[nH]2)C1 587969595 PVFKIRGQDJAJDM-GHMZBOCLSA-N 368.262 5.097 0 1 FKAF FC(F)(F)C(=C[C@H]1NCCc2cccc(-c3ccccc3)c21)C(F)(F)F 962665054 JOVNOYWTXQUMCQ-OAHLLOKOSA-N 371.324 5.591 0 1 FKAF Cc1ccccc1CC[C@@]1(C2CCCC2)NCCc2c1sc(C)c2C 963020929 IPSOAXVYTGNDAJ-QHCPKHFHSA-N 353.575 5.837 0 1 FKAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1cccn1-c1ccc(Cl)cc1 963101116 JJLMOTYHIZYPIG-SIKLNZKXSA-N 366.867 5.380 0 1 FKAF CCC(CC)[C@]1(Cc2ccccn2)c2c(F)cccc2C[C@H]2CCCN21 963106163 QVNHVUUFGBIEOV-NFBKMPQASA-N 352.497 5.115 0 1 FKAF c1ccc(CC2CCN(CCCOc3ccc4ccccc4c3)CC2)cc1 1857772577 DZIKJPGFMAJKHZ-UHFFFAOYSA-N 359.513 5.563 0 1 FKAF COC(=O)c1cc(CC=C(C)C)c(O)c(CC=C(C)CCC=C(C)C)c1 2356338506 ZDDYPNINFTUGHJ-UHFFFAOYSA-N 356.506 5.923 0 1 FKAF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](C(=O)C[C@@]3(C)O)C(C)=CC[C@H]12 2356359654 PNRUVGYCBDDNBW-JNNKLBEBSA-N 370.577 5.874 0 1 FKAF CC(=CCOc1ccc2c(c1)OCC=C2)CCC1=C(C)CC[C@@H](O)C1(C)C 2356477532 YZRYPZNIUFMRAE-HSZRJFAPSA-N 368.517 5.695 0 1 FKAF CC(C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]2(C)[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H]13 2356481413 PQZMZRVBJLKEFN-WNIRCWHXSA-N 368.517 5.436 0 1 FKAF COc1ccccc1C1=NO[C@](C)(c2sc(-c3ccccc3)nc2C)C1 12726879 JHCXNMDWCFFBLI-NRFANRHFSA-N 364.470 5.167 0 3 FKAF COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccc(O)cc1 6257727 PHKFTVVFCJTISE-XZOQPEGZSA-N 360.453 5.488 0 1 FKAF Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(-c4ccccc4)cc3)cc2n1 13834962 YIXHTOPCARFJTJ-UHFFFAOYSA-N 368.484 5.591 0 1 FKAF C[C@@H]1[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H](C)C1(O)c1ccccc1 17141142 HEXUVKQFPIUPML-BDOXIVDKSA-N 371.524 5.574 0 1 FKAF CCCCCCOc1c(OC)cc(N[C@H](C)CCCN)c2ncc(C)cc12 28219004 NNPMINVFTUETPZ-QGZVFWFLSA-N 373.541 5.050 0 1 FKAF Cc1c(Cl)ccc2c1NC(=O)C2(c1ccc(F)cc1)c1ccc(F)cc1 28883929 DDEBKRYJUTXBLU-UHFFFAOYSA-N 369.798 5.213 0 1 FKAF CCN(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21 49792548 RZKSCIPGCFHGQH-YADARESESA-N 370.496 5.693 0 1 FKAF CC(C)c1cc(C(C)(C)C)cc(-c2ccccc2-c2ccccc2)c1CO 73297523 KOIVZIUIPZEGRY-UHFFFAOYSA-N 358.525 6.934 0 1 FKAF C[C@@H]1C[C@H](Nc2cc(-c3cccc(-c4ccccc4)c3)ncn2)CC(C)(C)C1 82162435 OXQCODDWSQGABT-GCJKJVERSA-N 371.528 6.437 0 1 FKAF Cc1ccc2c(Sc3ccc(C(F)(F)F)cc3)c(C(=O)O)[nH]c2c1 95580739 OPCIYSSDOTVKTK-UHFFFAOYSA-N 351.349 5.345 0 1 FKAF COc1ccc(-c2ccnc(NC3CCCCC3)c2)cc1OC1CCCC1 96937569 WQJZIYJBVJOTAR-UHFFFAOYSA-N 366.505 5.823 0 1 FKAF O=C1/C(=C/c2ccc(Cl)cc2)[C@@H](NC2CCCCC2)c2ccccc21 146626858 FKAPSKXJLAROGM-UKQGIEBLSA-N 351.877 5.583 0 1 FKAF CCCCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O 253686212 OBCLUYQALDBUAD-HYVNUMGLSA-N 360.519 5.228 0 1 FKAF CC(C)(C)c1cc(-c2ccc(O)c(Cl)c2)n(-c2ccc(Cl)cc2)n1 299834776 ZLRFODVXGAQAGF-UHFFFAOYSA-N 361.272 5.849 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cc(Cl)ccc3O)nc3ccc(O)c1c23 586985859 LAYMQPJABGZAKZ-UHFFFAOYSA-N 373.795 5.178 0 1 FKAF COc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587039203 BBIWDKAXCLPODZ-UHFFFAOYSA-N 373.481 5.417 0 1 FKAF Clc1ccccc1OCc1ccc(-c2nc3nccc(Cl)c3[nH]2)cc1 587063185 HGTHBRGXPROFTA-UHFFFAOYSA-N 370.239 5.511 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cccc(Nc5ccc(O)cc5)c4)[nH]c32)n1 587242731 QIZFKRDELUGBMD-UHFFFAOYSA-N 366.424 5.536 0 1 FKAF CC[C@@H]1C[C@@H](C)Cc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587366928 OJRVTGCBYJWTKD-HZPDHXFCSA-N 371.480 6.733 0 1 FKAF Cc1cc(C)cc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587407124 XIGJCEYBYVULRX-QHCPKHFHSA-N 357.453 5.568 0 1 FKAF CCCCOc1ccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587483587 RIPKBDBOKVFVCZ-HSZRJFAPSA-N 368.473 5.404 0 1 FKAF O=C1C[C@@H](c2ccc(-c3ccc(F)cc3)cc2)Oc2c1ccc1c2CCCC1 587508707 QHFJMMVTBIWBKH-DEOSSOPVSA-N 372.439 6.078 0 1 FKAF O=C1C[C@@H](c2cccc(OC3CCCC3)c2)Oc2c1ccc1c2CCCC1 587526642 WBWSFBZFWKFFPB-QHCPKHFHSA-N 362.469 5.593 0 1 FKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1CCCC[C@H]1C 587627572 CZHFRMMCYSZIKG-SECBINFHSA-N 364.333 5.893 0 1 FKAF Fc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2ccc(Cl)cc2)cc1 587631216 XXKPGLKQZWJCHP-UHFFFAOYSA-N 374.217 7.087 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2F)N1 587724171 FEGTWGLGNMWXDW-ZKANADHPSA-N 372.640 5.004 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(F)cc2)N1 587735503 QCPWGZFXLGJVCM-IOKPOUQPSA-N 364.233 5.016 0 1 FKAF CCOc1ccccc1-c1cccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 587780356 QQZVQZCDQVCCNP-NRFANRHFSA-N 372.428 5.019 0 1 FKAF CC(C)c1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587820058 OIUWWWDTQOJKBP-BUXKBTBVSA-N 362.286 5.335 0 1 FKAF O=C(c1ccccc1)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 587967462 NVHNDHUFGWTYOT-UHFFFAOYSA-N 368.480 5.633 0 1 FKAF CC(C)=CCC/C(C)=C\c1nc2cc(Br)cc(Cl)c2[nH]1 587969583 ZWZIDBSCURJSSN-XFFZJAGNSA-N 353.691 6.129 0 1 FKAF COc1ccc2nc(-c3ccc(-n4nnc5ccccc54)c(C)c3)sc2c1 653899271 GVFWALAGANBRQV-UHFFFAOYSA-N 372.453 5.014 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2OC)(C(C)(C)C)N1 962946301 LEDPTWUEYKWQFO-GYCJOSAFSA-N 362.517 5.391 0 1 FKAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1ccc(Cl)cc1C(F)(F)F 963096219 MNKAXGTXAKLLMH-KDOFPFPSSA-N 369.789 5.608 0 1 FKAF CC(C)C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2c3cc4c(cc3CCN21)OCO4 1772622155 NIKSJNPDOOOIEM-LEWJYISDSA-N 374.484 5.139 0 1 FKAF CC(=O)Oc1c(Cl)c(C)c(C)c(O)c1C/C=C(\C)CCC=C(C)C 1857654274 MSHWVSGJAAUYDH-JLHYYAGUSA-N 350.886 5.823 0 1 FKAF CC(=CCc1c(O)cc(C)c(C=O)c1O)CC[C@]1(C)[C@@H](C)CCC(=O)[C@@H]1C 2356561713 JSPPDMSCDGJJOM-HKARXFIJSA-N 372.505 5.129 0 1 FKAF CC/C(=C(/c1ccc(OCC(=O)O)cc1)c1cccc(O)c1)c1ccccc1 538602 CAPHKVMHGPLJRK-ZNTNEXAZSA-N 374.436 5.225 0 1 FKAF CC(C)(CCCCOc1ccc(CCCCc2ccccc2)cc1)C(=O)O 1532984 BVQLXXLVEQNTKB-UHFFFAOYSA-N 368.517 5.912 0 1 FKAF CCCc1cc(C)c(Oc2nc(C)cc(OC(CC)CC)c2C)c(C)c1 1543680 FYQFOGYGYVFCMX-UHFFFAOYSA-N 355.522 6.627 0 1 FKAF CCCCCCN(CCCCCC)C(=O)C(C(F)(F)F)C(F)(F)F 3844323 RZZVNYBTEPGDQW-UHFFFAOYSA-N 363.386 5.716 0 1 FKAF biogenic Cc1cc2c(cc1C(C)(C)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 13742679 PMIFCTYXFYHHCF-UHFFFAOYSA-N 364.529 6.368 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)(C)C(=O)NCCC 13761111 DZZYKVXKTJYUPM-AILJCPQKSA-N 373.625 7.294 0 1 FKAF CCCCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 13835098 WWYYDJOGKUCMMZ-UHFFFAOYSA-N 356.897 5.535 0 1 FKAF CCCCC/C=C\CCCCCCCCCCCCCCCC(=O)O 14770781 FIBGZVSOAZMXHT-SREVYHEPSA-N 352.603 8.059 0 1 FKAF CCCCCN1CCC(COC(c2ccccc2)c2ccccc2)CC1 26000642 DKYSNTNZTRPQGF-UHFFFAOYSA-N 351.534 5.695 0 1 FKAF CC(C)=C(c1cc(Cl)ccc1OCc1ccc(Cl)cc1)n1ccnc1 28764180 SVFDLOZVMAIJMA-UHFFFAOYSA-N 373.283 6.068 0 1 FKAF Cc1ccc2c3c(ccc2c1)OC(=O)C[C@@H]3c1cccc(Br)c1 29151462 RONRUDAQDXRSEN-QGZVFWFLSA-N 367.242 5.352 0 1 FKAF CNCc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)c(Cl)c1 34281160 VXVOMNFSZSXTSE-UHFFFAOYSA-N 350.167 5.524 0 1 FKAF CC(C)C1=C[C@]2(CC[C@@](C)(NC(=O)NCCc3ccccc3)C2)[C@@H](C)CC1 35067170 IRQHDWSBLUHZPI-IEXUWNMDSA-N 368.565 5.470 0 1 FKAF biogenic Cc1ccc2[nH]c3c(c2c1)CC(=O)N(Cc1ccccc1)c1ccccc1-3 45285300 NKZOBXCTVKAVPR-UHFFFAOYSA-N 352.437 5.233 0 1 FKAF Cc1cc(CCC(=O)O)ccc1OCc1cccc(Oc2ccccc2)c1 59714787 PSWWIJPJQUAYCG-UHFFFAOYSA-N 362.425 5.384 0 1 FKAF c1ccc(-c2nnc(-c3cn(-c4ccccc4)nc3-c3ccccc3)o2)cc1 64516411 AGRQYEVBCNOVSV-UHFFFAOYSA-N 364.408 5.256 0 1 FKAF C[C@H](COC(=O)c1cccc2ccccc12)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C 96935063 VYRLIENKDUYGMM-QAPBEQBNSA-N 366.501 5.210 0 1 FKAF CCC[C@@H](C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccco1)CCC3 113122753 KGMPTSVIIVRZGK-CYBMUJFWSA-N 355.459 5.322 0 1 FKAF CCc1oc2ccccc2c1-c1nc2cccc(OCc3ccccc3)c2[nH]1 586903129 HFHQBMNKKYYEMB-UHFFFAOYSA-N 368.436 6.118 0 1 FKAF CC[C@@H]1OCCC[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586910693 JJNKVJVJXULDBE-CABZTGNLSA-N 366.305 5.273 0 1 FKAF Oc1cccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 587015403 ONGVJSWILWEECD-UHFFFAOYSA-N 362.241 5.366 0 1 FKAF FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587089183 ZEHMHSHUUQHLDT-ZDUSSCGKSA-N 355.388 5.105 0 1 FKAF COc1ccc([C@@H](C)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587105809 AJGXFBRCKQLFBT-OAHLLOKOSA-N 365.432 5.607 0 1 FKAF CC(C)(C)c1cccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c12 587109923 XCOZISROBDPZIA-UHFFFAOYSA-N 362.351 5.244 0 1 FKAF FC(F)(F)Sc1ccc(/C=C\c2nc3cc4ccccc4cc3[nH]2)cc1 587125920 VPNXAMGEEFAVRT-YFHOEESVSA-N 370.399 6.498 0 1 FKAF Cc1c(Br)cc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1C 587149587 NJKBVQQVBXISGB-XQRVVYSFSA-N 363.205 5.391 0 1 FKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(F)c(F)cc3[nH]2)cc1 587158935 SYWDWKAZSDRMDW-UHFFFAOYSA-N 352.315 5.127 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](Cc1ccccc1)C3 587207555 NJUFJJUPXSGSMM-KRWDZBQOSA-N 361.444 5.404 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc[nH]c2CC3)c1 587362511 IVIZBUYJTFNOOF-UHFFFAOYSA-N 366.420 5.750 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)c(C)c(C)c(C)c1C)CC2=O 587488726 LPEMDQYULAVSAK-DEOSSOPVSA-N 366.501 5.767 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(CC(C)(C)c1ccccc1)CC2=O 587491752 YWALFQCDOMOVLO-HSZRJFAPSA-N 352.474 5.437 0 1 FKAF CCCCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587520480 CPVVVMQHXJOLOD-QFIPXVFZSA-N 350.458 5.451 0 1 FKAF C[C@]1(c2ccc3c4c(cccc24)CC3)CC(=O)c2ccc3c(c2O1)CCCC3 587525243 RGZQCCDZICOFDJ-AREMUKBSSA-N 368.476 5.698 0 1 FKAF CC[C@@]1(Cc2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603825 RUWVLWVFPNWCSH-QPPBQGQZSA-N 374.436 5.054 0 1 FKAF O=C(O)c1ccccc1-c1[nH]c2cccc(F)c2c1-c1ccc(Cl)cc1 587632900 NBLKPMWFJOHMPR-UHFFFAOYSA-N 365.791 5.993 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C[C@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587822383 KCJUDZLYPAGLTN-PITQQHRWSA-N 368.334 5.410 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C[C@@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587822385 KCJUDZLYPAGLTN-QRDCCXFBSA-N 368.334 5.410 0 1 FKAF CC[C@H](OC(=O)c1ccccc1)c1nc(-c2cc(F)ccc2F)cs1 587921790 ZMKGLDKSDCKPJZ-KRWDZBQOSA-N 359.397 5.396 0 1 FKAF CCOc1cccc2ccc([C@@H]3N[C@@H](CC)Cc4c3[nH]c3ccccc43)nc12 962953236 QMNFTYCOVAIRLQ-FYSMJZIKSA-N 371.484 5.129 0 1 FKAF c1ccc([C@H]2CCCN(c3nc(-c4cccnc4)nc4ccccc34)C2)cc1 1857559814 ODIPALICXDLZFX-FQEVSTJZSA-N 366.468 5.076 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3F)nc3c2Cc2cc(O)ccc2-3)cc1 1857614616 SIMVOXHUOVWCBP-UHFFFAOYSA-N 369.395 5.537 0 1 FKAF CO[P@](=O)(c1ccc2oc(-c3ccc4ccccc4c3)nc2c1)C(C)C 1911583229 LXIGZCSQQSQXGJ-SANMLTNESA-N 365.369 5.606 0 1 FKAF COc1ccc(C(=O)OCc2c(-c3ccccc3)ncc3ccccc23)cc1 61968961 HVNYKTMXEJCNLF-UHFFFAOYSA-N 369.420 5.267 0 3 FKAF CCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 2481155 VWWJVDFPDAIXHK-UHFFFAOYSA-N 360.866 5.253 0 1 FKAF COc1ccc2c(CNCc3ccccc3)cc(-c3ccccc3)nc2c1 13762335 LLLKRNKMPNBPPO-UHFFFAOYSA-N 354.453 5.200 0 1 FKAF C/C=C/CC/C=C/C=C/C=C/C=C/C=C/C=C/c1cc(OC)cc(=O)o1 15269429 OKPDDZOFQVFXCZ-IFKNUABHSA-N 350.458 5.799 0 1 FKAF CC(C)(C)c1ccc(Sc2c(C(N)=O)[nH]c3ccc(Cl)cc23)cc1 26503954 WTVZMJLLQMQJSL-UHFFFAOYSA-N 358.894 5.369 0 1 FKAF Cc1ccc(-c2c(-c3cc(C)no3)c(=O)[nH]c3ccc(Cl)cc23)cc1 29126357 XIUKEHFAYZGOAQ-UHFFFAOYSA-N 350.805 5.120 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@@]21C 33820885 USLKURCLVONKPN-FKOMGKCASA-N 370.533 5.411 0 1 FKAF COc1cc(/C(F)=C\c2cc(O)c3ccsc3c2)cc(OC)c1OC 40879187 JUIMHHKELVWZEV-MKMNVTDBSA-N 360.406 5.100 0 1 FKAF Fc1ccc(C2=C(c3cc(-c4ccccc4)no3)[C@@H]3CC[C@H](C2)S3)cc1 66111692 QYKXDVOUDRSNAP-UTKZUKDTSA-N 363.457 6.059 0 1 FKAF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1ccc2ccccc2c1 82155571 LRMYEEATTUUNJT-DEOSSOPVSA-N 366.420 5.232 0 1 FKAF CC1(C)CC2=Nc3nc(-c4ccccc4)nn3[C@@H](c3ccccc3)C2=C(O)C1 104036575 TVVPSCQDIWZGOK-FQEVSTJZSA-N 370.456 5.253 0 1 FKAF Cc1cc(C(=O)O)c2[nH]c(-c3ccc(-c4ccc(F)cc4F)cc3)nc2c1 113982592 LSYPKFRINHKZLW-UHFFFAOYSA-N 364.351 5.182 0 1 FKAF CC(=O)O/C=C1/CC/C=C(/C)C[C@@H]2OC(=O)[C@H]1[C@H]2[C@@H](C)CCC=C(C)C 141547394 DFKHRBLZEJCJLU-CBYSXIAQSA-N 360.494 5.104 0 1 FKAF COc1ccc(-c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)cc1OC 167178211 GFESYUTVMOYKOE-XYOKQWHBSA-N 356.425 5.418 0 1 FKAF CCCC[C@@H]1CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]1N 253656022 OTPNVPYDTCYPTA-IAQYHMDHSA-N 368.365 5.068 0 1 FKAF O=c1cc(/C=C/c2ccccc2)occ1Oc1cccc(Cl)c1Cl 473112524 FCEDMBVCBVOCNI-MDZDMXLPSA-N 359.208 5.909 0 1 FKAF Cc1oc2c(c1-c1nc3ccc(Oc4ccccc4)cc3[nH]1)C(=O)CCC2 586903823 PHPNMRHKPHIMBR-UHFFFAOYSA-N 358.397 5.443 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(F)c(F)c4[nH]3)c2)c1 587160064 FBAXENTZKXHDTD-UHFFFAOYSA-N 354.331 5.323 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587160757 GEKNBJHSNNWAML-MNOVXSKESA-N 354.734 5.645 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)/C(=C/c1ccccc1)CCC3 587208205 RMPMUGUJNKYCAA-FBMGVBCBSA-N 373.455 6.323 0 1 FKAF Cc1nc2ccccc2c(Cl)c1CCc1cc2c3c(cccc3n1)CC2 587209801 XXZUGGMSZJIZMT-UHFFFAOYSA-N 358.872 5.629 0 1 FKAF FC(F)(F)c1ccc([C@H]2CCCc3c2nc2cccc4c2c3CC4)cc1 587210314 NYHXZYAQZQNTPC-MRXNPFEDSA-N 353.387 5.820 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)cc(C(C)(C)C)cc1C)O2 587406839 WFQOSRRKAHPYLW-QHCPKHFHSA-N 351.490 5.372 0 1 FKAF COc1cc2c3c(c1)O[C@](CCC(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587420016 GGTWCQQHOZARIA-PGRDOPGGSA-N 370.876 5.428 0 1 FKAF CCCc1c(O)ccc2c1O[C@](CCC)([C@H]1CCOC(C)(C)C1)CC2=O 587481952 NVCLMMMFXYWCTG-NYHFZMIOSA-N 360.494 5.054 0 1 FKAF CCOc1ccc([C@]2(CC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526282 SMTRHFFMBBRNNA-QHCPKHFHSA-N 350.458 5.235 0 1 FKAF COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2Cn2ccnc2)cc1 587627348 SSGKIEQDUMLDHW-UHFFFAOYSA-N 351.837 5.050 0 1 FKAF O=C(O)Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(Cl)c(F)cc12 587627742 ACBISZXNLLBOHH-UHFFFAOYSA-N 372.610 5.561 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3OC)c(C(=O)C(F)F)c2c1 587640553 FOMZDQGLFDUHGB-GFCCVEGCSA-N 357.400 5.805 0 1 FKAF Clc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cn1 587783557 CHWGVGKETSVZTL-DHZHZOJOSA-N 361.832 5.361 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)CC2)N1 587818654 SABZJLGAOFKGDM-RBZFPXEDSA-N 372.281 5.195 0 1 FKAF Fc1c(F)c(F)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1F 587955645 KFNRADCHFRWOLW-AWEZNQCLSA-N 370.349 5.494 0 1 FKAF FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C\c3cccc4ccccc34)nc1-2 587967703 ISYJWERPJPTWHS-HJWRWDBZSA-N 374.753 5.300 0 1 FKAF Clc1cc(Cl)c2c(c1)[C@H](c1cc(Cl)sc1Cl)NCC2 963120530 JHFMIKMXLPXSNF-GFCCVEGCSA-N 353.101 5.597 0 1 FKAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1nc(-c2ccc(C)cc2)cs1 963232122 CNJXSLJKKGMTBL-HTAPYJJXSA-N 362.542 5.865 0 1 FKAF Cc1cc(-c2nccc3c(Nc4cc(Cl)ccc4F)c(N)oc23)ccn1 1857655806 WVDPRDGUKJYMGX-UHFFFAOYSA-N 368.799 5.317 0 1 FKAF Fc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 1857772067 YCLFWWKRZXZOEX-SFHVURJKSA-N 365.235 5.287 0 1 FKAF CC(=O)OCC=C(C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)O)[C@H]2CC[C@H]1C 2356616967 MHVXKXKLJNXBPK-XEHJXZTKSA-N 362.510 5.140 0 1 FKAF CC(C)=CCCC(C)=CC=C[C@@]1(C)CCc2c(c3ccccc3oc2=O)O1 2356648609 JNURFPIUZYYCNC-DEOSSOPVSA-N 364.485 6.126 0 1 FKAF CC1=C[C@@H](c2ccc3[nH]ccc3c2)[C@](C)(C=Cc2ccc3[nH]ccc3c2)CC1 2356772510 AGXPNMMYDKKSMT-OZXSUGGESA-N 366.508 7.193 0 1 FKAF COc1ccc(-c2c[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl 2382229782 SRMUBSNMQZHORC-UHFFFAOYSA-N 373.836 5.037 0 1 FKAF CSc1ccc2cc(-c3ccccc3)c(SCCN(C)C)nc2c1 26380334 NOIZDLGVVGKUMA-UHFFFAOYSA-N 354.544 5.277 0 1 FKAF c1ccc2c(c1)[C@@H]1CC(c3ccsc3)(c3ccsc3)[C@H]2c2cccc[n+]21 26648587 HQINWGGQGATOMX-FCHUYYIVSA-N 372.538 5.522 0 1 FKAF C[C@]1(C(=O)OCc2ccccc2)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 28525730 KMEJLXYWBXIHMZ-JRFVFWCSSA-N 364.485 5.146 0 1 FKAF COc1ccnc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)c1 34803659 APJNZPUSSLCYBE-UHFFFAOYSA-N 364.445 5.121 0 1 FKAF CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(-c2ccc(F)cc2)cc1 40430486 PUXHTJNBFYVDAT-UHFFFAOYSA-N 372.443 5.289 0 1 FKAF c1coc(CNc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)c1 82068854 QFYUXYFYFUGCBB-UHFFFAOYSA-N 357.369 5.373 0 1 FKAF O=C(O)CC1=C/C(=C\c2ccc(-c3ccc(F)cc3)cc2)c2ccc(F)cc21 84724470 QKCAUJAWBOEQRM-WOJGMQOQSA-N 374.386 6.044 0 1 FKAF CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccsc2)cc1O 84740129 JGJVSEHGKNESFG-MZYNZGBKSA-N 354.515 6.565 0 1 FKAF CCCOC(=O)[C@]12CC[C@@]3(C)CC[C@@](C)(O)C=C[C@H]3[C@@H]1CC[C@@H]2C(C)C 95560312 FBDWYJRHNLBHRB-DEDMPRLZSA-N 362.554 5.126 0 1 FKAF COC(=O)C1=CN(Cc2ccccc2)C=C[C@H]1c1cccc2ccccc12 95583761 ULJBJTXEMRDMKP-QFIPXVFZSA-N 355.437 5.010 0 1 FKAF COc1ccc2c(c1)oc1c(Nc3cccc(C(F)(F)F)c3)ncnc12 95593486 VGHRUXZYIIIAER-UHFFFAOYSA-N 359.307 5.147 0 1 FKAF CC[C@H](C)C[C@@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197716 MTNMQRCVEVQDPA-WDEREUQCSA-N 373.444 5.292 0 1 FKAF COc1ccc(Nc2nc3cc(-c4ccc5c(ccn5C)c4)ccc3o2)cc1 140452555 WIZPMKGFLYYGKW-UHFFFAOYSA-N 369.424 5.739 0 1 FKAF Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)s2)c1 169349547 URSOBHRUTRGXRS-UHFFFAOYSA-N 366.482 5.628 0 1 FKAF c1ccc2c(CCCN3[C@H]4CC[C@H]3c3c([nH]c5ccccc35)C4)c[nH]c2c1 253633507 HVXBCBFOONESMF-SBUREZEXSA-N 355.485 5.344 0 1 FKAF c1ccc2c(c1)oc1ccc(Cc3cncc4cc5c(cc34)OCO5)cc12 584615127 RMIZINABUSALRD-UHFFFAOYSA-N 353.377 5.454 0 1 FKAF CCc1oc2ccccc2c1-c1nc2ccc(Br)c(O)c2[nH]1 586904339 SGHGLSRJIGRVSX-UHFFFAOYSA-N 357.207 5.007 0 1 FKAF CSc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586993105 DWYIXIOICSCYFT-UHFFFAOYSA-N 369.445 5.541 0 1 FKAF COc1cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2cc1Cl 587075660 KKDPVACQFBGZLQ-UHFFFAOYSA-N 373.243 5.039 0 1 FKAF Oc1ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2c1 587112622 BCHKOCBRFWNBGH-UHFFFAOYSA-N 370.330 5.747 0 1 FKAF Cc1c(F)ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587137309 YVBGCSARMLBOQU-UHFFFAOYSA-N 357.585 5.232 0 1 FKAF CC(=O)c1ccc(-c2cc(-c3nc4cncc(Cl)c4[nH]3)ccc2F)cc1 587139475 KWFMOHCRLLJCKS-UHFFFAOYSA-N 365.795 5.287 0 1 FKAF Cc1c(Br)cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1C 587161713 QAUNUKFKPOXCOK-KBPBESRZSA-N 359.242 5.352 0 1 FKAF Fc1ccc(/C=C(/c2nc3cc(Cl)c(F)cc3[nH]2)c2cccs2)cc1 587164497 SJCKVTOKPNXUMH-MDWZMJQESA-N 372.827 6.145 0 1 FKAF FC(F)(F)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587230704 XUAWZLLCUAFFJS-UHFFFAOYSA-N 368.362 5.256 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccc(C)o3)c1)CC2=O 587483029 QMHZEULMJXOYNN-QFIPXVFZSA-N 362.425 5.620 0 1 FKAF CCCCCOc1cccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c1 587485518 XHOOHHRJXSLJIL-QFIPXVFZSA-N 368.473 5.620 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(CC(C)C)cc1)CC2=O 587491295 WADOKTKZSRCXBL-HSZRJFAPSA-N 352.474 5.424 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C1CCCCC1)CC2=O 587491316 WIMGFMFIWBCDOR-DEOSSOPVSA-N 364.485 5.786 0 1 FKAF CCc1ccc(OC)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524845 NBMKUKFSLIKIGW-QHCPKHFHSA-N 350.458 5.017 0 1 FKAF O=C(c1cccc2ccccc12)c1c(C(F)F)[nH]c2ccc(F)c(Cl)c12 587628869 BGUFHMCCYKGLDA-UHFFFAOYSA-N 373.761 6.282 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)c(Br)c3)c(C)c2c1 587640870 FQFUEVIHQOGCEY-LLVKDONJSA-N 360.270 6.558 0 1 FKAF CCCC1CCC([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587818405 CYQSKLYACCQOHL-WGFJEIQISA-N 368.334 5.770 0 1 FKAF C[C@H](Cc1nc(-c2cc(F)ccc2F)cs1)n1ccc(C(F)(F)F)n1 587921648 NUJIPFJVMMHSIL-SECBINFHSA-N 373.350 5.107 0 1 FKAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(C)(C)C)cc2[nH]1 587927773 UOXXDBBHLSJFMV-INIZCTEOSA-N 352.478 5.420 0 1 FKAF O=Cc1cc2sc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cc2s1 963101089 JESDEYCSISLWOK-DJJJIMSYSA-N 357.475 5.024 0 1 FKAF C[C@@H](c1cccc(Cl)c1)[C@@H]1c2cccc(Br)c2CCN1C 963279679 ISBUFCYGYYZIAD-KPZWWZAWSA-N 364.714 5.435 0 1 FKAF CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(/C=C/C(=O)O)c(C)c1 1857609893 YPWSUKLQSYIZJD-XYOKQWHBSA-N 366.501 5.993 0 1 FKAF CC(=O)Oc1c(Cl)cc(C=O)c(O)c1C/C=C(\C)CCC=C(C)C 1857648717 XBRFAGLBKZKJRK-MDWZMJQESA-N 350.842 5.019 0 1 FKAF C[C@@H]1C[C@@H](C(=O)Nc2nc3cc(Cl)cc(Cl)c3s2)CC(C)(C)C1 1857773154 XLIYZAZOULZHQP-NXEZZACHSA-N 371.333 6.004 0 1 FKAF CC(=CCC[C@H](C)[C@@H]1CC[C@]2(C)CC3=C(C)CC[C@H]3C(C)=CC[C@@H]12)CO 2356483205 FCDTYKFKWUCPPD-CQFZSQIPSA-N 356.594 6.840 0 1 FKAF CC(C)=CCC[C@]1(C)[C@H]2c3c(cc(C)c(C(=O)O)c3O)O[C@@]3(C)CC[C@@H]1[C@@H]23 3933038 VIAZDVYHRVWLBY-YKXVBRIPSA-N 370.489 5.426 0 1 FKAF CCCN(CCC)C(=O)/C=C(\C)c1ccc(O[C@H](C)c2ccccc2)cc1 13782687 OXDMRZSZHNMIHW-LNEUUDGLSA-N 365.517 5.879 0 1 FKAF FC(F)(F)c1cccc(Nc2ccccc2-c2nnc(S)s2)c1 13828118 SSRDENPJPAFZCP-UHFFFAOYSA-N 353.394 5.256 0 1 FKAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC[C@H]1CCCN1 26182622 LAHSBDBGBNBBCE-DDKRZIBASA-N 368.609 5.162 0 1 FKAF Oc1ccc([C@]2(c3ccccc3)[C@@H](c3ccccc3)C2(Cl)Cl)cc1 28106664 BXXFQDJABDJKOP-WOJBJXKFSA-N 355.264 5.650 0 1 FKAF COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1C=C[C@@]2(O)c1ccccc1 29394638 PRCGTYKZJAVITA-VMAPGKTHSA-N 360.497 5.215 0 1 FKAF CCC(=O)C(CCCCCCOc1cccc(C(F)(F)F)c1)C(=O)CC 32138806 SAJBBYVKJGSLSG-UHFFFAOYSA-N 372.427 5.609 0 1 FKAF CCCn1c(C)c(C(=O)c2cccc3ccc(OC)cc23)c2ccccc21 43118327 NRRZXWDIHJREMJ-UHFFFAOYSA-N 357.453 5.753 0 1 FKAF Cc1csc(Nc2ncnc3ccc(Oc4ccccc4F)cc23)n1 45285571 ATZHFQAWHIAMEM-UHFFFAOYSA-N 352.394 5.070 0 1 FKAF c1ccc(-c2cc(Cn3cnc4ccccc43)cc(-c3ccccc3)c2)cc1 66101661 XVCDSCFEQRCGGZ-UHFFFAOYSA-N 360.460 6.419 0 1 FKAF O=C(c1ccc(Cl)cc1)N1c2ccccc2Oc2ccc(Cl)cc21 72107173 YHBBUZXDZRYQQK-UHFFFAOYSA-N 356.208 6.078 0 1 FKAF CCCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccccc2)n1 82219564 DGPGHEJNVDDHHY-UHFFFAOYSA-N 360.486 5.632 0 1 FKAF CCc1cc2ccccc2nc1-c1cc(-c2ccc(C(F)(F)F)cc2)no1 103251897 XJGUYUQRFOSSPW-UHFFFAOYSA-N 368.358 6.138 0 1 FKAF CCCCC[C@@H](CC)OC(=O)CCCOc1ccc(Cl)cc1Cl 169304738 ZAPVNKQEZNTYQV-OAHLLOKOSA-N 361.309 6.055 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cccc(Cl)c3[nH]2)c1 586879389 PTVRXGQUWIZJQZ-UHFFFAOYSA-N 360.844 5.731 0 1 FKAF Clc1cc(Br)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 586887939 VNZOGMKSCMQVKT-ACJLOTCBSA-N 373.681 5.350 0 1 FKAF Cc1nc(C2CC2)sc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587012054 MJGHRDICHKVADQ-UHFFFAOYSA-N 363.511 6.023 0 1 FKAF CCc1cnccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096215 FQWYOMSRGVZOOV-UHFFFAOYSA-N 350.421 5.379 0 1 FKAF CCc1c(-c2ccc(O)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587102553 XNUMLAVWHSPHJL-UHFFFAOYSA-N 365.432 5.690 0 1 FKAF CC(C)Oc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587133972 GSHLKHWKMIYRNV-XQRVVYSFSA-N 368.305 5.216 0 1 FKAF O=C(O)c1cccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587164752 WATQGENWZVFFNZ-RVDMUPIBSA-N 364.401 5.051 0 1 FKAF CSc1ccccc1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587209174 MEERJTQNZJOFPZ-UHFFFAOYSA-N 367.473 5.759 0 1 FKAF O=C(O)c1cc(-c2cccc(-c3cc4c5c(cccc5n3)CC4)c2)ccc1F 587210876 XWXXLTNAKRBILW-UHFFFAOYSA-N 369.395 5.505 0 1 FKAF CCC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353313 OPSZZYIRBVVVCV-ZWZMAAFHSA-N 354.421 5.229 0 1 FKAF C[C@]1([C@@H]2C[C@H]3CC[C@H]2C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357479 UMTBLFHGFCGMSR-PFGRWTDPSA-N 366.432 5.085 0 1 FKAF COc1cccc(-c2cc(-c3scnc3C)nc3c2oc2ccccc23)c1 587367556 YQKNWSLEJDTMCB-UHFFFAOYSA-N 372.449 6.089 0 1 FKAF CCCc1c(O)ccc2c1O[C@](c1ccccc1Cl)(C(C)C)CC2=O 587459695 CVHUFTMGFDFTDK-NRFANRHFSA-N 358.865 5.515 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3)cn1)CC2=O 587478890 ADJNDFAJJBFKBM-JOCHJYFZSA-N 359.425 5.113 0 1 FKAF COc1cc(C)c(C)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526506 SWHVKTPTOJIUMP-HSZRJFAPSA-N 350.458 5.071 0 1 FKAF Cc1ccc(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)o1 587534091 VQLRUKDHGYOJSY-HSZRJFAPSA-N 358.437 5.840 0 1 FKAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2c1OC(C)(C)C2 587535692 NCSONTWLUKVLDE-OAQYLSRUSA-N 362.469 5.294 0 1 FKAF C[C@@]1(c2cc3ccccc3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614874 DHMNZVLOPWVHQU-REWPJTCUSA-N 372.376 5.015 0 1 FKAF CC(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(F)cc1 587622676 RCZUKTMFMVXEAB-UHFFFAOYSA-N 372.241 5.736 0 1 FKAF CC/C=C\CCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587819079 KTUHDJXXXMXREH-WQEAVSRRSA-N 354.307 5.690 0 1 FKAF CCc1ccc2nc(-c3cccc(-c4ccc(OC)cc4OC)c3C)[nH]c2c1 587930267 RYAANGBBOOMDPU-UHFFFAOYSA-N 372.468 5.785 0 1 FKAF CC[C@@]1(Cc2nc3cc(Cl)cc(C)c3[nH]2)CC(=O)c2ccccc2C1 587959760 HQTSILITEJULIL-NRFANRHFSA-N 352.865 5.293 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(C)=O)c1ccccc1Cl 963232315 RJVIYMNYFAYOSA-ZHRRBRCNSA-N 355.909 5.219 0 1 FKAF CC(C)=CCC[C@]1(C)CCC[C@]2(C)[C@@H](CCC(C)=CC(=O)O)C(C)=CC[C@H]12 2356486566 WZOUGXJIBZOMTP-WREZULKGSA-N 372.593 7.323 0 1 FKAF CC1(C)CCC[C@@]2(C)[C@@H]3CCC4=CN(CC(=O)O)CC=C4[C@]3(C)CC[C@H]12 2356854397 ROIGGZDZSZEDCH-PJIZGREPSA-N 357.538 5.240 0 1 FKAF Cc1cc(Cl)ccc1[C@H](O)c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 61929176 CJEHVFDOGIJZJE-INIZCTEOSA-N 366.770 5.139 0 3 FKAF CCCCCNC(=O)c1nc(-c2c(F)cccc2F)oc1-c1ccccc1 95567782 VMQYQVBVFMTVNT-UHFFFAOYSA-N 370.399 5.207 0 3 FKAF C[C@H](ON1[C@](C)(c2ccccc2)CC[C@@]1(C)c1ccccc1)c1ccccc1 6040197 INQXAJZMLNZJKF-MZBJOSPHSA-N 371.524 6.606 0 1 FKAF CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1 13819876 UVQIBKXDOZWHFU-WOJBJXKFSA-N 368.561 7.005 0 1 FKAF CCCCCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 13835099 NYNVHKIVMGVBAB-UHFFFAOYSA-N 370.924 5.925 0 1 FKAF Cc1ccccc1CSc1nnc(Nc2ccccc2-c2ccccc2)[nH]1 14964314 MEGHOPIQKPOUER-UHFFFAOYSA-N 372.497 5.816 0 1 FKAF C[C@@H]1CN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)C[C@@H](C)N1C 22937951 JQBCJANIMSRFBC-SUMGPEMVSA-N 372.915 5.080 0 1 FKAF CCCCCC[C@@H](c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 22941643 PYVYQSFRPHLGSU-VABKMULXSA-N 370.968 6.126 0 1 FKAF COCCC/C=C/Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 27753080 QVMBZYVOASLQMK-VRKMBTERSA-N 356.506 5.528 0 1 FKAF C=C(c1cc(Cl)ccc1O[C@@H](C)c1ccc(Cl)cc1)n1ccnc1 28767132 ATDCAUDMJPLMIB-AWEZNQCLSA-N 359.256 5.849 0 1 FKAF O=C(NO)N(CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 28767890 PLKKWDFDUXFAGZ-UHFFFAOYSA-N 374.362 5.007 0 1 FKAF C[C@@H](c1nc(-c2ccc(Cl)cc2Cl)no1)[C@H](N)C(F)=C1CCCC1 29126170 LUXHGFZUOSWXLD-PSLIRLAXSA-N 370.255 5.272 0 1 FKAF CC(C)=CCC/C(C)=C/CN1C(=O)[C@@]2(OCCC=C[C@H]2C)c2ccccc21 66166212 BBKUPXVFOVUPDN-HTSVRJPYSA-N 365.517 5.534 0 1 FKAF CC1(C)CCC(C)(C)c2cc(C(=O)Nc3cccc4ccccc34)ccc21 84712756 LPUBAKJKWMZLEH-UHFFFAOYSA-N 357.497 6.441 0 1 FKAF Cc1cccc(C2=NN(C(=O)Nc3ccccc3)C[C@H]2Cc2ccccc2)c1 95574091 RAGYWYVHJWEEIO-OAQYLSRUSA-N 369.468 5.106 0 1 FKAF CCOC(=O)C1=CN(Cc2ccccc2)C=C[C@@H]1c1cccc2ccccc12 95580709 DFHKWPRRMVWJOI-HSZRJFAPSA-N 369.464 5.400 0 1 FKAF Cn1c(C(=O)Cc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 96914895 YROWSVSDPRQCNS-UHFFFAOYSA-N 352.437 5.180 0 1 FKAF CCCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21 96938365 NYEDXSGEEHGJAU-UHFFFAOYSA-N 362.517 6.001 0 1 FKAF CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H]2C[C@H]1C2(C)C 101323713 PSDQYGKBECOLJX-XKDLAMOGSA-N 362.554 5.593 0 1 FKAF CO[C@@H]1C[C@H]2[C@@H]3CC=C(n4ccnc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@@]312 141036787 UEVQTGRVYPBALF-FLDLZJNUSA-N 352.522 5.002 0 1 FKAF CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 142595025 XMKGJJDWZVKHBI-BDJLRTHQSA-N 370.251 5.167 0 1 FKAF COc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@H](N1CCCC1)CC2 199682871 FTDOGARXMALEGF-FGZHOGPDSA-N 355.909 5.086 0 1 FKAF Cc1ccc(F)cc1ONc1ccc([C@H]2CC[C@H](N3CCC[C@@H]3C)C2)cc1 221759334 AHMNSAFIBBXPBS-JLMWRMLUSA-N 368.496 5.660 0 1 FKAF CC(=O)n1c2cccc(Cl)c2c2cc(-c3cccc4ccccc34)nnc21 299828379 VAINKWAOEWVSPA-UHFFFAOYSA-N 371.827 5.718 0 1 FKAF Cc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)c3cccnc23)cc1 473167285 HJTSGLMZICWKHZ-UHFFFAOYSA-N 374.465 5.011 0 1 FKAF O=C(O)/C=C\c1ccccc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 586879757 NFGUDDUJDCAFMO-RAXLEYEMSA-N 356.381 5.120 0 1 FKAF CC(C)Oc1ccc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2c1 586896180 JQMPOIRQVABPHX-UHFFFAOYSA-N 352.478 5.970 0 1 FKAF Cc1ccc(-n2ccnc2SCc2nc3cccc(Cl)c3[nH]2)c(C)c1 586967182 ZBDDYSFNQMAKKO-UHFFFAOYSA-N 368.893 5.311 0 1 FKAF c1csc(SCc2c(-c3nc4ccccc4[nH]3)oc3ccccc23)c1 587010526 CFKAQANPWLYINI-UHFFFAOYSA-N 362.479 6.330 0 1 FKAF CSc1ccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 587013193 YRHATGVYBIFSOW-UHFFFAOYSA-N 371.918 6.037 0 1 FKAF Cc1ccc2c(ccc3nc(/C=C\c4cccc(Cl)c4Cl)[nH]c32)n1 587056020 YIPDCZYKKDVFAM-POHAHGRESA-N 354.240 5.897 0 1 FKAF Cc1ccc2c3c(c([C@H](C)CCCC(C)(C)O)cnc13)-c1ccccc1C2=O 587102384 WRYUOCPJZGWBCS-OAHLLOKOSA-N 373.496 5.799 0 1 FKAF Fc1cc(Cc2nc3cc(Cl)cc(F)c3[nH]2)ccc1-c1ccccc1 587145265 JYVOATOXBBYROU-UHFFFAOYSA-N 354.787 5.752 0 1 FKAF C[C@@]1(c2ccccc2)Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587207017 HGYVDXDXSDTJGZ-SANMLTNESA-N 361.444 5.503 0 1 FKAF COc1ccc(C(=O)c2coc3ccc(Cl)cc23)cc1C(F)(F)F 587278433 MYPIZSUSCIGUOU-UHFFFAOYSA-N 354.711 5.345 0 1 FKAF Cc1ccc(C(C)C)c(OCc2ccc(C(=O)c3coc4ccccc34)o2)c1 587280521 IRDLLDBXWLYZBD-UHFFFAOYSA-N 374.436 6.268 0 1 FKAF COc1cccc(-c2cc([C@@H]3CCCNC3)nc3c2oc2ccccc23)c1 587362882 MKPKIKGUZGKXOC-MRXNPFEDSA-N 358.441 5.124 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1c1ccc(Cl)cc1)CC2=O 587463600 WAZMPFOHRIIJLK-PGRDOPGGSA-N 370.876 5.670 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccn3)s1)CC2=O 587492895 CZZWPWIARMYFIL-SFHVURJKSA-N 365.454 5.175 0 1 FKAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C1CCCCC1)C1CC1 587604070 ULUFHJBCHPZBKJ-NFBKMPQASA-N 364.441 5.083 0 1 FKAF O=C(c1c(-c2cccc3ccccc23)[nH]c2cccc(F)c12)C(F)(F)F 587634269 XEKJTDIJKGWQAV-UHFFFAOYSA-N 357.306 5.872 0 1 FKAF CC[C@@]1(CCCC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815279 ZJBIYKHKJTVNCE-UGSOOPFHSA-N 356.323 5.554 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccsc2)N1 587851165 BDICSNUJUFUVDU-GTNSWQLSSA-N 368.315 5.032 0 1 FKAF c1ccc(-c2cccc3c2[C@@H](c2cc(-c4cccs4)cs2)NCC3)cc1 962666595 KTLDHSSKSWVCSL-HSZRJFAPSA-N 373.546 6.379 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cnc(S[C@@H](C)CC)nc1 963231936 BPKASJGJUPOROZ-GUXCAODWSA-N 355.551 5.113 0 1 FKAF CCOC[C@]1(C)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@H]1C3 2356367278 ZTRZDZWICICOGN-SGIWWYSESA-N 362.554 5.527 0 1 FKAF CC(C)=CCCC(C)=CCOc1cc(O)cc(O)c1C(=O)c1ccccc1 2356415312 HAYWIKBDKJMSGN-UHFFFAOYSA-N 366.457 5.400 0 1 FKAF COC(=O)c1ccc(O)c(C[C@]2(C)[C@H](C)CC[C@@H]3C(C)=CCC[C@@]32C)c1 2356743539 KDAMGOAZTHXKIC-XHBDVGQISA-N 356.506 5.520 0 1 FKAF CCCC(=O)CCc1c(C)cc2c(c1COC(=O)CCC)CC(C)(C)C2 2356794382 LDVNTGPWFBPZFX-UHFFFAOYSA-N 358.522 5.265 0 1 FKAF CCC(CC)COC(=O)c1cccc(-c2cc(=O)c3cc(C)ccc3o2)c1 13491200 MMHZDKICFCMTIU-UHFFFAOYSA-N 364.441 5.361 0 1 FKAF C[C@H]1CCC[C@@H](C)N1CCCNC(=O)N(c1ccccc1)c1ccccc1 13733917 RYWMWDPBFDGSHL-BGYRXZFFSA-N 365.521 5.187 0 1 FKAF C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(C(C)(C)C)cc1 13740368 JBXUCKVGAYPPEH-LAMXGVLKSA-N 363.545 5.414 0 1 FKAF O=c1oc(-c2ccccc2)cc(O)c1[C@H](SC1CCCC1)C1CCCC1 13740591 ZLYKUIUJEAYAOR-OAQYLSRUSA-N 370.514 5.920 0 1 FKAF CC(C)(O)CCCCCCCCCCCc1cc(=O)c2ccccc2[nH]1 14492092 MYMYSGUFPZXICQ-UHFFFAOYSA-N 357.538 5.743 0 1 FKAF biogenic,in-vitro Cc1cc(CCCCCCCOc2ccc(C3=NC(C)(C)CO3)cc2)on1 25966984 UZNYBPPIYOHJBB-UHFFFAOYSA-N 370.493 5.110 0 1 FKAF CC[C@]1(c2ccccc2)C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 28086573 GAUNQRNMIWTVIY-ISKFKSNPSA-N 357.453 5.131 0 1 FKAF CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CC1 28711189 MIBXXFOVSMBLME-JFYHIKNKSA-N 366.545 6.781 0 1 FKAF Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2cccnc2c1C(=O)O 29328990 XEJPPEUNGQPOCJ-UHFFFAOYSA-N 358.372 5.110 0 1 FKAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc2cc[nH]c12 73198140 JABAGHPAKORHJJ-UHFFFAOYSA-N 364.452 5.645 0 1 FKAF CC/C=C\CCSC[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 84688335 YDJGESKTURUXSO-PWILOVROSA-N 352.540 5.071 0 1 FKAF CCc1ccc2c(Sc3ccc(Cl)c(Cl)c3)c(C(=O)O)[nH]c2c1 95583483 GFEHQTBISQVZNP-UHFFFAOYSA-N 366.269 5.887 0 1 FKAF O=C(Nc1cc(Cl)ccc1C(=O)O)c1cccc(Oc2ccccc2)c1 96938306 RYUAYRWQSUFJEW-UHFFFAOYSA-N 367.788 5.083 0 1 FKAF CCCN(CCC)c1cccc2nc(Nc3ccc(C)cc3C)n(C)c12 142664406 AOLNQKFWRQHQDM-UHFFFAOYSA-N 350.510 5.560 0 1 FKAF CC1(C)CN(Cc2ccccc2)CC(c2ccccc2)(c2ccccc2)O1 169328593 COPDAXCKZNCGFN-UHFFFAOYSA-N 357.497 5.241 0 1 FKAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 586884776 ARMLLJORMDVSPP-UZUQRXQVSA-N 372.468 5.287 0 1 FKAF CCC[C@H]1CC(C)=Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991732 VYXJMBZPDBFMRY-AWEZNQCLSA-N 355.437 5.843 0 1 FKAF Cc1ccc2c3c(cc(-c4cc(F)c(O)c(F)c4)nc13)-c1ccccc1C2=O 586996757 SERNHPURYQNYIS-UHFFFAOYSA-N 373.358 5.405 0 1 FKAF Brc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)o1 587006453 KNCWXLVJTHUYSW-UHFFFAOYSA-N 371.259 5.737 0 1 FKAF CC(C)CCOc1cc2nc(C(C)(C)Cl)[nH]c2cc1Br 587009239 YEEBPQXOHORYGO-UHFFFAOYSA-N 359.695 5.224 0 1 FKAF FC(F)(F)Sc1ccc2nc(CSCc3ccsc3)[nH]c2c1 587027119 PMNANGRDWGSYAS-UHFFFAOYSA-N 360.451 5.670 0 1 FKAF Cc1cc2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c(C)n1 587048633 XVNJTEKQIYBXDT-UHFFFAOYSA-N 368.267 6.216 0 1 FKAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587113076 JRNREFJBTDGIGV-QMMMGPOBSA-N 374.193 5.630 0 1 FKAF CCOc1cc(/C=C\c2nc3ccc(CC)cc3[nH]2)ccc1OC(F)F 587130729 OYHZVGSCKDPEJI-YFHOEESVSA-N 358.388 5.296 0 1 FKAF Cc1c([C@H]2CCOC(C)(C)C2)nc2cccc3c2c1-c1ccccc1C3=O 587206467 LAPQHKJIEVQRMH-HNNXBMFYSA-N 357.453 5.427 0 1 FKAF C[C@]1(c2ccccc2)Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587207012 HGYVDXDXSDTJGZ-AREMUKBSSA-N 361.444 5.503 0 1 FKAF Cc1c(Cl)ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c12 587241179 WYIYEZMLWSWYNP-UHFFFAOYSA-N 373.840 5.244 0 1 FKAF CCc1ccccc1NC(=O)c1nc2cc(Oc3ccccc3)ccc2[nH]1 587241207 QSKHMJNTIDNMIH-UHFFFAOYSA-N 357.413 5.170 0 1 FKAF COc1cccc(-c2cc(-c3ccncn3)nc3c2oc2ccccc23)c1 587362393 GPTBGKXLCIPBGK-UHFFFAOYSA-N 353.381 5.114 0 1 FKAF COc1cccc(-c2cc(-c3ccnnc3)nc3c2oc2ccccc23)c1 587362516 IXKPGERDQVGOLA-UHFFFAOYSA-N 353.381 5.114 0 1 FKAF COc1cccc(-c2c(CCC[C@@H](C)O)cnc3c2oc2ccccc23)c1 587367142 TZPMIGQBTSYJNB-OAHLLOKOSA-N 361.441 5.360 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c(Cl)c1)(C1CC1)O2 587377653 XJEHYAOCFFPZFU-LJQANCHMSA-N 362.256 5.155 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC(C)(C)C)(c1ccc(Cl)cc1)O2 587379071 RXHYRYOTEXBZEF-NRFANRHFSA-N 357.881 5.528 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c3ccccc13)CC2=O 587480275 ONCZTJBNZXXSOD-QFIPXVFZSA-N 362.425 5.213 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCSc3ccccc31)CC2=O 587494084 HYJSXNZMBCPZRQ-OAQYLSRUSA-N 354.471 5.091 0 1 FKAF O=C1C[C@](c2cccs2)(C2CCCC2)Oc2c1ccc1c2CCCC1 587531950 NVUKRCGZCMVFKQ-JOCHJYFZSA-N 352.499 5.678 0 1 FKAF O=C(c1ccccc1F)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587628085 HIBUWMYOVHZANP-UHFFFAOYSA-N 359.681 5.349 0 1 FKAF Fc1cccc2[nH]c(C(F)(F)Br)c(Cc3ccccc3)c12 587633985 RSNUIUSCDTXLDM-UHFFFAOYSA-N 354.169 5.342 0 1 FKAF CCCc1c(-c2ccc(Br)cc2F)[nH]c2cc(F)ccc12 587634568 KGZMZXDTVIEHRD-UHFFFAOYSA-N 350.206 5.828 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC2CCCC2)N1 587812862 LQWIUZRGPDGMRK-KPZWWZAWSA-N 354.307 5.308 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCCCCCCC2)N1 587819670 WJBBFJHDDDPKTR-CYBMUJFWSA-N 354.307 5.452 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C)CCCCCC2)N1 587821959 YXOKSGASFKTFCR-SJCJKPOMSA-N 354.307 5.524 0 1 FKAF FC(F)(F)c1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)s1 963114960 YJSOYTCIEJXPKU-CYBMUJFWSA-N 352.208 5.309 0 1 FKAF CCCC[C@@]1(c2ccc(Cl)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963119863 ZVEIRBFSOBYUFZ-SIKLNZKXSA-N 357.900 5.933 0 1 FKAF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccc(Cl)cc1F)C(C)(C)C 963234216 VAHXAHWOAPYVDZ-MWTRTKDXSA-N 373.943 6.425 0 1 FKAF COc1cc(OC)c2c(c1O)C=C[C@](C)(CC[C@]1(C)CCC=C(C)[C@H]1C)O2 2356474952 KDDVGLFIPJEMAU-UZFJHSOTSA-N 372.505 5.736 0 1 FKAF CC(=CCC[C@@H](CO)CCCc1ccoc1)CC[C@H]1C(C)=CCCC1(C)C 2356607417 UJVZMYQCMKGVLL-VWNXMTODSA-N 372.593 7.100 0 1 FKAF CC(C)=CCC[C@@](C)(O)[C@@H]1CC=C(CO)CCC=C(C)CCC=C(C)CC1 2356747680 PHHSGMBMOUQBFV-LOSJGSFVSA-N 374.609 6.656 0 1 FKAF O=C1C[C@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32 211059727 NWJOPKNAHFUXGY-VEGWMBEDSA-N 373.540 5.125 0 3 FKAF FC(F)(F)C1(Cl)[C@@](Cl)(c2ccccc2)[C@]1(Cl)c1ccccc1 1613108 JHECBPQLNLDWBJ-ZIAGYGMSSA-N 365.609 5.809 0 1 FKAF Clc1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)cc2)n2ccnc2)cc1 5974188 DBDGQVVQYMKPAS-HXUWFJFHSA-N 368.267 5.823 0 1 FKAF COc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1 13582350 OUSYTGMUXWLOBH-UHFFFAOYSA-N 360.501 5.289 0 1 FKAF Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccccc1 13757495 GSMUWBHZARSZAD-UHFFFAOYSA-N 364.489 5.546 0 1 FKAF O=C(O)C[C@@H]1CCC[C@@H]2c3cc(F)ccc3N(Cc3ccc(Cl)cc3)[C@H]12 14951612 USFMJLOJQLMDAA-AVBTWRTFSA-N 373.855 5.226 0 1 FKAF in-vitro CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc([C@@H](C)[C@H](C)C3CCCC3)cc1OC2(C)C 26674069 USDMFBBEDJJVQK-ZCLUNYJNSA-N 368.561 6.933 0 1 FKAF CC(=O)Nc1ccc(Sc2ccc([C@H]3CC[C@H]4CCCCN43)cc2)cc1 26731013 KNBNOCYUDWNXQS-DENIHFKCSA-N 366.530 5.486 0 1 FKAF CNCCC[C@]1(C)Cc2ccccc2N(c2ccc(C(C)C)cc2)C1=O 28526945 CSIVTULLSFNYFC-HSZRJFAPSA-N 350.506 5.037 0 1 FKAF C=C[C@]1(C)CC=C2[C@H](CC[C@@H]3[C@](C)(COC(=O)CC(=O)O)CCC[C@@]23C)C1 32090391 ADRMEPMWXLEIKU-FFLNWOAESA-N 374.521 5.140 0 1 FKAF biogenic COc1ccc(NC(=O)Nc2cc(Cl)nc3ccccc23)cc1Cl 64437768 BHJHRFLZKGDEHP-UHFFFAOYSA-N 362.216 5.194 0 1 FKAF CC[C@H]1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 96270686 KGUVKPUXAPIJSW-HXUWFJFHSA-N 354.538 5.104 0 1 FKAF c1ccc(-c2ccc(Cn3ccc4nc(-c5ccccc5)nc-4c3)cc2)cc1 100065476 MMVUCDMKDSXBOC-UHFFFAOYSA-N 361.448 5.765 0 1 FKAF Cc1cc(C)cc(-c2cc([C@@H](O)C[C@H]3CCCCN3)c3ccccc3n2)c1 169334843 LESUFCJHGHVDIG-DVECYGJZSA-N 360.501 5.084 0 1 FKAF CC[C@H]1C(=O)N(C2CCN([C@H]3CC[C@@H](C(C)C)CC3)CC2)c2ccccc21 261071729 AFKOBULTASCVMS-SVFBPWRDSA-N 368.565 5.206 0 1 FKAF CC(C)[C@@H]1CCc2nc3ccc(O)c4c3c(c2[C@@H]1C)-c1ccccc1C4=O 586990022 HXFQZRWUJXAGKO-KGLIPLIRSA-N 357.453 5.474 0 1 FKAF Cc1nc(Br)sc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 587010876 IVEIQGPHAHEUAG-UHFFFAOYSA-N 350.285 5.055 0 1 FKAF N=c1[nH]c(-c2cccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)cs1 587022524 YBTXLRBLIJJCDX-UHFFFAOYSA-N 361.257 5.073 0 1 FKAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 587051536 TWLMSWKPPCGOAD-BQBZGAKWSA-N 373.070 5.843 0 1 FKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(Cl)cnc4[nH]3)c2)cc1 587067670 JVTDNWLNQZQKOW-UHFFFAOYSA-N 370.239 5.091 0 1 FKAF Cc1cnc2[nH]c([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 587068566 BBIFHRITOLEEBQ-QFYPQXEXSA-N 372.299 5.939 0 1 FKAF CC(C)(C)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587082727 DBQZPMZAPRVVIA-UHFFFAOYSA-N 370.283 6.382 0 1 FKAF Fc1cc(Cc2nc3cnc4ccccc4c3[nH]2)ccc1-c1ccccc1 587145711 PFMJTOAASVVVIG-UHFFFAOYSA-N 353.400 5.508 0 1 FKAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587149127 DCSGKDVAOYKOQY-ZETCQYMHSA-N 360.257 5.139 0 1 FKAF Fc1ccc2[nH]c(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c(Cl)c2c1 587174684 RFDFATCKXCRODK-UHFFFAOYSA-N 354.599 5.811 0 1 FKAF Cc1ccc(Oc2ncccc2C(=O)c2coc3ccc(Cl)cc23)cc1 587276962 XPXCBVQZYPSZKU-UHFFFAOYSA-N 363.800 5.813 0 1 FKAF COc1cccc(-c2c(C)c([C@H]3CC3(C)C)nc3c2oc2ccccc23)c1 587365565 LXUWVJJQVIJPIY-GOSISDBHSA-N 357.453 6.479 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cc(Cl)ncc3c1)CC2=O 587462360 PUYFOPXLRLFXMS-IBGZPJMESA-N 367.832 5.253 0 1 FKAF CCCn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587514002 CZYMNQUDHCJCBI-OAQYLSRUSA-N 360.457 5.032 0 1 FKAF COc1ccc(C(C)(C)C)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527644 XMTDJYKHFCPKFA-QFIPXVFZSA-N 364.485 5.578 0 1 FKAF O=C1C[C@H](c2c(C3CC3)oc3ccc(O)cc23)Oc2c1ccc1c2CCCC1 587529451 CHIQYDXRROXVHB-OAQYLSRUSA-N 374.436 5.601 0 1 FKAF CC1(C)CCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2O1 587530492 CNKZCMBWMMVYAQ-JOCHJYFZSA-N 362.469 5.376 0 1 FKAF Cc1cc(C)cc(OCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587564925 PYAWNVYBINKRIO-UHFFFAOYSA-N 360.482 5.910 0 1 FKAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 587616682 LYNWKQYCTAIUAA-CVDCTZTESA-N 372.376 5.150 0 1 FKAF Oc1nccc2c(Oc3c(-c4ccccc4)[nH]c4cc(F)ccc34)cccc12 587636637 AKJOASCEOKHPMR-UHFFFAOYSA-N 370.383 6.020 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)c(OC)c3)c(CC(=O)O)c2c1 587641574 MQUFYDRMOPUXCV-LBPRGKRZSA-N 371.864 5.638 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(C(F)F)c(C(=O)c3cnn(CC)c3C)c2c1 587642717 PTQLPXLSKKPGGJ-LLVKDONJSA-N 359.420 5.375 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2CCCCC2)(C2CC2)N1 587816046 SPSRIXBMAUMUPV-HXPMCKFVSA-N 366.318 5.308 0 1 FKAF CC[C@]1(C)C=C[C@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587819248 USUFJBGVSRGJMB-JBBXEZCESA-N 352.291 5.084 0 1 FKAF Cc1cccnc1[C@@H]1CCC[C@@]2(C1)NCCc1cc(-c3ccccc3)ccc12 962668688 QIAFXGFGHFRDQY-BVAGGSTKSA-N 368.524 5.756 0 1 FKAF Cc1c(F)ccc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)c1C(F)(F)F 963117585 XCUMOWYORNOWGX-BFUOFWGJSA-N 367.361 5.402 0 1 FKAF CC(C)C[C@@H](COc1cccc(F)c1Oc1ccc(Cl)cc1)N(C)C 1772593779 FTMPEVHQNMLANG-INIZCTEOSA-N 365.876 5.627 0 1 FKAF CCCC[C@@H]1[C@@H](C(=O)CC)[C@H](c2ccccc2)CCN1C(=O)OC(C)(C)C 1857616498 NFEFTKKLHVHLBP-ZVDOUQERSA-N 373.537 5.565 0 1 FKAF C[C@@H]1c2ccccc2N2C[C@H](Cc3ccc(C(=O)c4ccccc4)cc3)C[C@@H]12 61921056 HURHJZGWMGPJEY-BSWQBHCVSA-N 367.492 5.472 0 3 FKAF CCC[C@@]1(c2ccccc2)CC(=O)[C@H]([C@@H](CC)c2ccccc2)C(=O)O1 18067271 NVJXNSJZXFPQQY-RRPUWOKSSA-N 350.458 5.008 0 1 FKAF CC[C@@H]1CCCCCCc2c1oc(=O)c([C@H](c1ccccc1)C1CC1)c2O 27519762 LUYUQDXMYQYICI-OXQOHEQNSA-N 366.501 5.888 0 1 FKAF CCCCCn1c(C)c(C(=O)Cc2ccccc2Cl)c2ccccc21 28457103 JUWWNZZHFZTXED-UHFFFAOYSA-N 353.893 6.219 0 1 FKAF in-vivo CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N[C@@H](C)C(=O)O)C(C)(C)CCC1 29570113 JSNAKIATBRGNKG-CTDYKXGUSA-N 371.521 5.107 0 1 FKAF O=C(CCCCCCc1ccccc1)c1ncc(-c2ccccc2F)o1 35259917 VNIXKUPUOKDAMU-UHFFFAOYSA-N 351.421 5.857 0 1 FKAF CSc1nc2c(Nc3cccc(C(C)=O)c3)c3ccccc3nc2s1 40395817 SXMMFDDFEKXKQN-UHFFFAOYSA-N 365.483 5.513 0 1 FKAF CC(C)Oc1ccc(-c2nc(CN[C@@H]3C[C@@H](C)CC(C)(C)C3)co2)cc1 72101496 NMFBSIKHNGDFKG-SJLPKXTDSA-N 356.510 5.433 0 1 FKAF Cc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2ccccc2)sc1C 82163071 ZHWQEQDLUZVGKB-UHFFFAOYSA-N 364.518 5.120 0 1 FKAF C[C@@H]1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21 96270677 OOLFHBYKMZMHBX-GOSISDBHSA-N 354.538 5.104 0 1 FKAF O=c1ccn(Cc2ccc(Cl)cc2Cl)c2cc(C(F)(F)F)ccc12 100992036 AGPNFHTXHVFGAE-UHFFFAOYSA-N 372.173 5.375 0 1 FKAF CCCCc1ccc(/N=c2\nc(-c3ccc(Cl)cc3)n(C)s2)cc1 103185277 LSAQXGKWPIAKSA-XUTLUUPISA-N 357.910 5.377 0 1 FKAF C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OCc1ccccc1 118929899 ZSXQKJCUWHUJJR-DAEGYCLPSA-N 364.573 6.781 0 1 FKAF biogenic Cn1ccc2cc(-c3ccc4oc(Nc5ccc(F)cc5)nc4c3)ccc21 149219572 GBEKMJOSZOOGON-UHFFFAOYSA-N 357.388 5.869 0 1 FKAF C[C@@]12C[C@](C)(C=C1/C=C\CCc1ccco1)C(=O)C[C@@H]2CCc1ccco1 169352793 HSYVZZKTEPXIFY-SYEPUPFJSA-N 364.485 5.926 0 1 FKAF CC(C)=CCc1c(O)cc2c(c1/C=C\c1ccc(O)cc1)CCC(C)(C)O2 215872403 UJKMURXEFQNMQG-WQLSENKSSA-N 364.485 5.881 0 1 FKAF Cc1ccccc1[C@](O)(CCCN1[C@H](C)CCC[C@H]1C)c1ccccc1 253632654 CSEFBNLLZLOJNN-LGVFNWMJSA-N 351.534 5.274 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586884228 OVSMSDIWULJXAH-RVOMIOKESA-N 354.803 5.703 0 1 FKAF Cc1ccc2c3c(cc(-c4ccc(O)cc4Cl)nc13)-c1ccccc1C2=O 586992449 GAUIJDVAUGKVLT-UHFFFAOYSA-N 371.823 5.781 0 1 FKAF Brc1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)o1 587006336 GQGMVVGOTUFNRJ-UHFFFAOYSA-N 369.218 5.164 0 1 FKAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1F 587104018 PVCZDAYNGDGDED-UHFFFAOYSA-N 355.368 5.261 0 1 FKAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2cccc(Cl)c2[nH]1 587128821 RKJMYSKWJJMCFP-UHFFFAOYSA-N 361.804 5.944 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(Cl)nc4[nH]3)c2)c1 587160244 NUNWIUFBMUUTJY-UHFFFAOYSA-N 353.784 5.093 0 1 FKAF Nc1ccccc1-c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 587251143 ZGCMKWQORKGQMN-UHFFFAOYSA-N 355.228 5.181 0 1 FKAF C[C@]1([C@@H]2C[C@H]3CC[C@@H]2C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357476 UMTBLFHGFCGMSR-GVVATVGCSA-N 366.432 5.085 0 1 FKAF COc1cccc(-c2cc(-c3csc(C)n3)nc3c2oc2ccccc23)c1 587365837 HTDHIAAOFUKEES-UHFFFAOYSA-N 372.449 6.089 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3ccc(F)cc3)c1)O2 587385495 SVXGGMYMDIFYLR-NRFANRHFSA-N 363.388 5.215 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c(C)c(Cl)cc(C)c1O)CC2=O 587462112 WHTLIUZNUNOJBF-KRWDZBQOSA-N 360.837 5.027 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCCNc3cc(Cl)ccc31)CC2=O 587463693 WUOFNSFIOVVOIY-OAQYLSRUSA-N 371.864 5.065 0 1 FKAF Cc1ccc(Cl)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587503341 GNJTVOBFDPMXHR-OAQYLSRUSA-N 358.840 5.547 0 1 FKAF O=C1C[C@]2(CS[C@H](c3cccs3)C2)Oc2c1ccc1c2CCCC1 587532999 SUWVJBLWQDGCRG-ICSRJNTNSA-N 356.512 5.209 0 1 FKAF O=C1C[C@@]2(CCSc3c(Cl)cccc32)Oc2c1ccc1c2CCCC1 587537749 JXJIDJZSWWNRIA-OAQYLSRUSA-N 370.901 5.575 0 1 FKAF CSc1nccc(-c2c(-c3ccc(F)cc3)[nH]c3cc(F)ccc23)n1 587634824 SNHZHJKFNOUCOC-UHFFFAOYSA-N 353.397 5.292 0 1 FKAF CC1=C(C)C[C@](C)([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587821773 XOTCENPHHOUBBU-FASAQXTFSA-N 366.318 5.690 0 1 FKAF CC(C)[C@@H]1CC[C@@H](C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587831347 XBHVTBWTJPSLLJ-BFDPJXHCSA-N 368.334 5.410 0 1 FKAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(F)c(F)cc3[nH]2)cc1 587934375 CUFVCTPSRQLTCF-HXUWFJFHSA-N 350.368 5.030 0 1 FKAF CC(C)(C)c1ccc([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)o1 962694728 DZCZJNZTHOELDJ-QRQCRPRQSA-N 373.537 5.343 0 1 FKAF C[C@@]1(c2ccccc2)C[C@H](c2c[nH]c3ccccc23)N(c2ccccc2)O1 1857774416 BXLXJJYFWCKMKI-RPWUZVMVSA-N 354.453 5.966 0 1 FKAF CC(C)=CCC=C(C)[C@@H]1CC=C(C)CCC=C(C(=O)O)CCC=C(C)CC1 2356388632 LXXOWRXRMRYPKN-QHCPKHFHSA-N 370.577 7.553 0 1 FKAF Cc1cc(Oc2cccnc2)ccc1NC(=O)CCc1c[nH]c2ccccc12 199264441 LQIOUNZOQCBDIZ-UHFFFAOYSA-N 371.440 5.235 0 3 FKAF O=C(NC1CCCCC1)c1c(-c2ccccc2F)noc1-c1ccccc1 774924 DJPKGBDWXJXVID-UHFFFAOYSA-N 364.420 5.210 0 1 FKAF CCO[C@@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)c2c1cc(C(C)C)c(OC)c2O 14410911 MGAOUXBZMKOBML-PMAPCBKXSA-N 360.538 6.090 0 1 FKAF biogenic CCCCCc1cc2c(c(O)c1C(=O)OC)[C@H]1CC(C)=CC[C@H]1C(C)(C)O2 14722863 GHQWHEOOZNZPEX-DLBZAZTESA-N 372.505 5.522 0 1 FKAF biogenic c1ccc(N[C@@]23CCC[C@@H]2CC(C2CCCCC2)=C3c2ccccc2)cc1 14978555 NRKBJKAAJKZJBH-GJZUVCINSA-N 357.541 7.075 0 1 FKAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@H]1C[C@@H](C)CCC=C(C)C 26816638 DUQKWXIFKLCNNB-IKXRYLQMSA-N 363.498 5.103 0 1 FKAF CCCC[C@@H]1CCc2ccc(OCc3ccc4ccccc4n3)cc2[C@@H]1O 28770252 HAAKJHPJDSOUSI-NTKDMRAZSA-N 361.485 5.600 0 1 FKAF CCC/C=C(\CCC)[C@@H](NC(=O)c1ccco1)c1ccc(C(=O)OC)cc1 34148350 VCRLEIBLXCVAPW-RIMDVYMRSA-N 369.461 5.064 0 1 FKAF CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@@H]1C[C@H](c2ccccc2)CCC1=O 35996081 CBLGISWYJDCLIC-VNHVOUQCSA-N 371.521 5.079 0 1 FKAF biogenic c1cc(-c2ccc(CN3CCCCC3)cc2)ccc1CCN1CCCCC1 40861461 IPENPJGNQLBYMT-UHFFFAOYSA-N 362.561 5.368 0 1 FKAF Cc1ccc(-c2nc(NC(=O)c3ccccc3)c3cc(Cl)ccc3n2)cc1 64516451 JVEZTNDLQKDBNC-UHFFFAOYSA-N 373.843 5.511 0 1 FKAF C[C@H](CCc1ccccc1)Nc1cc(Oc2cccc3ccccc23)ncn1 82067688 CWUFZYVBUJMLCM-GOSISDBHSA-N 369.468 5.855 0 1 FKAF Fc1ccc(C(F)(F)F)cc1-c1csc(Nc2cccc(Cl)c2)n1 103229190 OMQWMPPBPJBXDG-UHFFFAOYSA-N 372.774 6.365 0 1 FKAF CC/C=C\CCSC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169728563 YDJGESKTURUXSO-VMCNIVSTSA-N 352.540 5.071 0 1 FKAF NC1(c2ccc(-c3nc4c(Cl)cccn4c3-c3ccccc3)cc2)CCC1 199433380 MXWXDYUJBMSKPA-UHFFFAOYSA-N 373.887 5.660 0 1 FKAF Cc1ccc(-c2nc3ccc(Nc4ncnc5ccccc45)cc3[nH]2)cc1 299833704 VYDSZWUNTBLTPG-UHFFFAOYSA-N 351.413 5.225 0 1 FKAF CCCCC1CCC(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CC1 586888449 JKBIWSFCWTYRPV-UHFFFAOYSA-N 358.835 6.699 0 1 FKAF CC(C)(C)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 587075829 KNAFEGCNTUCNLO-QGZVFWFLSA-N 368.912 5.246 0 1 FKAF CSc1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587083663 FIRHKZUFZZUUAH-UHFFFAOYSA-N 351.862 5.667 0 1 FKAF Cc1ccc2c3c(cc(CCc4ccc(O)cc4)nc13)-c1ccccc1C2=O 587100731 GENXUYRMTRNJDE-UHFFFAOYSA-N 365.432 5.245 0 1 FKAF FC(F)(F)Sc1ccc(/C=C/c2nc3cnc4ccccc4c3[nH]2)cc1 587124084 IEMIWEDXSCCRCZ-JXMROGBWSA-N 371.387 5.893 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3cc(Cl)c(Br)cc3F)nc12 587137129 VCINXCVQZXUGIN-UHFFFAOYSA-N 353.622 5.402 0 1 FKAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587148802 AAPINIKZPHAJHI-SSDOTTSWSA-N 360.257 5.139 0 1 FKAF C[C@@H](CSc1ccc(F)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587170277 MWPKSMAYIXQAAX-QMMMGPOBSA-N 356.253 5.300 0 1 FKAF CC(C)(C)C1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356735 RLMPTOOSUJTRBX-LJQANCHMSA-N 370.464 5.721 0 1 FKAF COc1cccc(-c2cc(-c3ncccc3O)nc3c2oc2ccccc23)c1 587362912 JMDWIAKJOVGDPN-UHFFFAOYSA-N 368.392 5.424 0 1 FKAF COc1cccc(-c2c([C@H](C)CC(C)C)c(C)nc3c2oc2ccccc23)c1 587365102 HSJVQEPWTGQFHH-MRXNPFEDSA-N 373.496 7.115 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2[C@@H](C3)C2(C)C)c1 587367877 ZJXHWGCPVTWMTG-XLIONFOSSA-N 355.437 5.952 0 1 FKAF CC[C@]1(c2ccc(F)c(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587383661 ZKXLZOLQSHNQFM-GOSISDBHSA-N 367.342 5.006 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3ccccc13)(C1CC1)CC2=O 587487833 XDMWPCICZDEWGM-HSZRJFAPSA-N 361.441 5.097 0 1 FKAF O=C1C[C@H](c2cccc(-c3ccsc3)n2)Oc2c1ccc1c2CCCC1 587534607 CSIDVPFPGCEVRK-OAQYLSRUSA-N 361.466 5.395 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(-c3ccncn3)c2c1 587643353 DJPJYIKAARFNFO-HNNXBMFYSA-N 357.457 5.814 0 1 FKAF CC[C@@H]1CC[C@H](C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587824064 TWFSNDHCFBRHRN-LFPKGMGHSA-N 354.307 5.164 0 1 FKAF Brc1cc2[nH]c(C=C3CCC3)nc2cc1OCc1ccccc1 587965489 UMANZIBPPCGUAK-UHFFFAOYSA-N 369.262 5.472 0 1 FKAF O=C(O)c1cc(Cl)cc2c1Nc1ccc(Cl)cc1C21CCCCC1 621477840 OMZRSMPRMDSHEZ-UHFFFAOYSA-N 362.256 5.999 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccsc2Br)N1 962944935 GHBUTRGMRVDCEI-BONVTDFDSA-N 361.308 5.006 0 1 FKAF COc1ccccc1-c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1 1857652495 XBTHTKZTSAECKS-UHFFFAOYSA-N 355.393 5.276 0 1 FKAF CC(=O)OCC=C(C)CCC1=C(C)CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O 2356684745 VYHQRVHVJIOYAH-KSEOMHKRSA-N 362.510 5.284 0 1 FKAF CC(C)=CCCC(C)=CCc1c(O)cc(O)cc1CCc1ccc(O)cc1 2356788596 XKEODMGIQXPZMT-UHFFFAOYSA-N 366.501 5.824 0 1 FKAF COc1ccccc1CCn1cnc(-c2ccc(F)cc2F)c1CC(C)C 198628349 YPZKHWWKVYRPSK-UHFFFAOYSA-N 370.443 5.278 0 3 FKAF CCN(CC)CCOc1ccc(/C(=C/C(C)C)c2ccc(O)cc2)cc1 13605656 OLEOZDOZISINBP-HAVVHWLPSA-N 353.506 5.201 0 1 FKAF CC[C@H]1Cn2nc(-c3ccc(C)cc3C)c3nc(C)cc(c32)N1CC1CC1 13672747 AQCNQDUUWHDSKL-SFHVURJKSA-N 360.505 5.032 0 1 FKAF O=C(O)CCCCCCCn1cnc(-c2ccccc2)c1-c1ccccc1 13727478 HKGZMSGUYSKDNI-UHFFFAOYSA-N 362.473 5.642 0 1 FKAF COc1ccc2c(Cc3ccc(Cl)cc3)ccc([C@H](C)C(=O)O)c2c1 26647445 FRJVNDLSJVURGX-ZDUSSCGKSA-N 354.833 5.281 0 1 FKAF CC[C@@H]1CCCCCCc2c1oc(=O)c([C@@H](c1ccccc1)C1CC1)c2O 27519766 LUYUQDXMYQYICI-UZLBHIALSA-N 366.501 5.888 0 1 FKAF Cc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 28817081 WOOXDHAITFKPDQ-UHFFFAOYSA-N 357.497 5.068 0 1 FKAF in-vivo C(CCCCCCCCN1CCCC1)CCCCCCCN1CCCC1 28865210 MSTLFCKJFFYDMF-UHFFFAOYSA-N 364.662 6.639 0 1 FKAF CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(OCCC=C[C@H]2C)c2ccccc21 36381886 BBKUPXVFOVUPDN-NWESRICMSA-N 365.517 5.534 0 1 FKAF CCCCCCc1ccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)cc1 40401666 BIALUGHALLOUJO-FQEVSTJZSA-N 360.881 5.538 0 1 FKAF Fc1ccc([C@H]2C[C@H]3CC[C@H](S3)[C@H]2c2cc(-c3ccccc3)no2)cc1 66100967 LSHLQBBAJNMIOH-RPHTVSPISA-N 365.473 6.016 0 1 FKAF CCCCC[C@H](C)NCc1coc(-c2ccccc2OC(F)(F)F)n1 72181688 BILZQLMLMIOAJL-ZDUSSCGKSA-N 356.388 5.299 0 1 FKAF Cc1ccccc1Oc1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1 95585234 HXCCXBPCKDPFLQ-UHFFFAOYSA-N 370.456 5.347 0 1 FKAF CCC(=O)C(CC[C@@H](CC)CCCc1ccc2c(c1)OCO2)C(=O)CC 138202726 JCUPMALTSIPPIU-INIZCTEOSA-N 360.494 5.119 0 1 FKAF C[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1 141105422 MFZFIPYAPCDNNJ-IFCRGVKQSA-N 365.561 5.869 0 1 FKAF C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](c3ccc(=O)oc3)CC[C@H]12 263638934 YBPMPRDOWHIVNA-CVTCDPMASA-N 354.534 6.156 0 1 FKAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(OC)cncc4[nH]3)cc2)CC1 586879811 IJFOHFNVFYTVFO-QAQDUYKDSA-N 363.505 6.098 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1CCCC[C@@H]1CC3 586989719 CXXXKHXOERAVBV-KGLIPLIRSA-N 355.437 5.372 0 1 FKAF c1ccc(Oc2ccc3nc([C@H]4SCCc5sccc54)[nH]c3c2)cc1 587036765 MSGDBHRBUWDOLG-IBGZPJMESA-N 364.495 5.795 0 1 FKAF Oc1ncnc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc12 587049659 DFDUEXFBVQHAHR-UHFFFAOYSA-N 372.815 5.199 0 1 FKAF FC(F)(F)c1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cn1 587051068 RUBVMPFKYYOLCG-JGVFFNPUSA-N 372.177 5.555 0 1 FKAF Cc1ccc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2c1C 587063566 PEHAZEGXFKIQHE-UHFFFAOYSA-N 367.836 5.376 0 1 FKAF Clc1cccc(COc2ccc(/C=C\c3nc4cccnc4[nH]3)cc2)c1 587068899 BKJHVYNNGYEDAE-FLIBITNWSA-N 361.832 5.361 0 1 FKAF Nc1ccnc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc12 587074400 WVHRVPCWHWWDNT-VKAVYKQESA-N 374.875 5.367 0 1 FKAF Cc1ccc2c3c(c(CCOc4ccccc4)cnc13)-c1ccccc1C2=O 587098410 XQWKWQUVYKDDBA-UHFFFAOYSA-N 365.432 5.376 0 1 FKAF Cc1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1C 587129666 ZEFQYCIZHSLHEG-UHFFFAOYSA-N 355.413 5.908 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](C1CCC(C(F)(F)F)CC1)CC2=O 587463898 DHMHLOPYLAOJOX-MFGLSYLJSA-N 356.384 5.047 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](C(c1ccccc1)c1ccccc1)CC2=O 587490674 TWEAFBUTSOQGRB-HSZRJFAPSA-N 372.464 5.511 0 1 FKAF COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(C)C 587520485 CTQPQZFEXOTNPH-NRFANRHFSA-N 366.457 5.068 0 1 FKAF C[C@@H]1C[C@@H](c2ccccc2)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587526835 TXPAOEZGMKVQHQ-FLPMJASOSA-N 360.497 5.873 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2c1ccccc1 587602568 IPDJJFQLUQNSDR-XZOYJPPVSA-N 372.420 5.060 0 1 FKAF Fc1ccc2[nH]c(-c3c[nH]c4ccccc34)c(C(F)(F)F)c2c1Cl 587629503 AEDAZDZTEQEUAY-UHFFFAOYSA-N 352.718 6.128 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(Cc3ccc(Cl)cc3Cl)c(C(C)C)c2c1 587640183 FWVYTXRTXFAHBJ-AWEZNQCLSA-N 374.355 7.702 0 1 FKAF COC(=O)Cc1ccccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587782922 AJBKRCLFMPWORV-UHFFFAOYSA-N 374.465 5.097 0 1 FKAF Cc1ccc(-c2csc(COc3cccc(C(F)(F)F)c3)n2)cc1C 587921040 PVLLBFPLTIHMGF-UHFFFAOYSA-N 363.404 6.025 0 1 FKAF COc1ccc(C2(c3nc4cc(OC)c(C)cc4[nH]3)CC3(CCC3)C2)cc1 587934434 ADHGZADDYWZQSP-UHFFFAOYSA-N 362.473 5.139 0 1 FKAF Cc1nc(-c2ccc(F)cc2)oc1-c1csc(Cc2ccc(F)cc2)n1 1772582202 UXJRXFCCMWSUBU-UHFFFAOYSA-N 368.408 5.643 0 1 FKAF Oc1ccc(-c2cc(-c3ccccc3)nc3c2Cc2cc(O)ccc2-3)cc1 1857576346 XVXHLJRZGJORQD-UHFFFAOYSA-N 351.405 5.398 0 1 FKAF O=C(Nc1ccc2ccccc2n1)/C(=C/c1ccccc1)c1ccccc1 1857594199 GCFJPOXLDNBHLH-HEHNFIMWSA-N 350.421 5.414 0 1 FKAF CC(=O)O[C@H](CC(C)=CC(=O)O)[C@]1(C)[C@H](C)CC=C2[C@H]1CCCC2(C)C 2356378635 RPDYJAJHHFYDMP-CIVUBGFFSA-N 362.510 5.138 0 1 FKAF COC(=O)[C@H](O)CC(C)=CCC[C@H](C)C=CC=C(C)CCCc1ccoc1 2356439235 JHGCSAXOTKATLR-XMSQKQJNSA-N 374.521 5.391 0 1 FKAF C[C@@H]1CC[C@@H]2[C@H](C1)c1c(O)cc(C=Cc3ccccc3O)cc1OC2(C)C 2356669399 ADICELGPGMRQFN-AYOQOUSVSA-N 364.485 5.959 0 1 FKAF CN1Cc2ccccc2[C@H](c2ccccc2)N=C1CCc1ccc(Cl)cc1 1534100 ZMGJMFUZMUYSJM-DEOSSOPVSA-N 374.915 5.906 0 1 FKAF CSc1ccc(-n2cnc(-c3ccc(F)cc3)c2-c2ccncc2)cc1 13759003 LKVCIGKNYDMCEB-UHFFFAOYSA-N 361.445 5.462 0 1 FKAF CCCCCC[C@H](O)CCCCCCCCCCCOS(=O)(=O)O 14616256 SRNZFQJWLFVECZ-SFHVURJKSA-N 366.564 5.038 0 1 FKAF biogenic O=C(Nc1n[nH]cc1-c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 20320395 ORQKPSJOHXHGGG-UHFFFAOYSA-N 365.742 5.001 0 1 FKAF CN(C)C1(c2ccc(Cl)cc2)CCC(O)(CC[C@@H]2CC=CCC2)CC1 27327803 CBNNVZGRXZKZQE-OSFYOIPJSA-N 361.957 5.539 0 1 FKAF Cc1cc(-c2cccc(O)c2)c2ncc(CSCCc3ccccc3)n2c1 28877383 KLHKTDQFZILPEQ-UHFFFAOYSA-N 374.509 5.491 0 1 FKAF Fc1ccc(F)c([C@@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)c1F 43196194 ZGTRBSABWYYFNJ-LJQANCHMSA-N 351.331 5.162 0 1 FKAF COc1cccc(-c2nc(CN[C@@H](C)c3cccc4ccccc34)co2)c1 72185533 CAYUSMFYDXFHKO-INIZCTEOSA-N 358.441 5.354 0 1 FKAF c1ccc2c(c1)oc1ccc(Oc3cncc(NC4CCCCCC4)n3)cc12 82068643 MZBFRVMYFDPZNY-UHFFFAOYSA-N 373.456 6.303 0 1 FKAF CCCCCCc1cc2cc(Cl)ccc2n1C(=O)C[C@H](C)CC(=O)O 103270855 LDXKYWAZGKIBOG-AWEZNQCLSA-N 363.885 5.559 0 1 FKAF O=C(O)CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccccc1 141281074 AUAJBMKTFZWPHW-UHFFFAOYSA-N 369.464 5.433 0 1 FKAF CCCc1cc(=O)oc2cc(OC3CCCCC3)c3c(c12)OC(C)(C)C=C3 169342060 ZEKLJEJOURDOAN-UHFFFAOYSA-N 368.473 5.641 0 1 FKAF CC1(C)OC[C@]2(C[C@]34CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]3CC[C@H]2C4)O1 238733847 CUMXMFWUFRFNQK-OWNZSMNJSA-N 360.538 5.120 0 1 FKAF C/C1=C\CC/C(C(=O)O)=C\[C@@H](OC(=O)c2ccccc2)C(C)(C)CCC1 238763628 DFMUJBWKZFLLCY-WIXOYLSMSA-N 356.462 5.160 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)cc3)nc3ccc(O)c1c23 586985026 DPNVFJDEJHHGNR-UHFFFAOYSA-N 357.796 5.472 0 1 FKAF C[C@H](c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990741 GHJPHLSICGATEL-CQSZACIVSA-N 351.405 5.304 0 1 FKAF Fc1cc2[nH]c(Cc3csc(-c4ccco4)n3)nc2cc1C(F)(F)F 587017428 LSFJTNYEHNJWDS-UHFFFAOYSA-N 367.327 5.028 0 1 FKAF COc1cc(Cl)ccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587067020 YKLNRKMKVSSZKA-UHFFFAOYSA-N 358.772 5.504 0 1 FKAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(ccc3ncccc32)[nH]1 587076786 OIKRJTZFPASKKI-UHFFFAOYSA-N 372.815 5.199 0 1 FKAF COc1cc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1Cl 587096893 DLTXHQISFOOTIQ-SECBINFHSA-N 354.759 5.396 0 1 FKAF CC[C@H](C)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587365281 JAOHEKKPCCFBJQ-HNNXBMFYSA-N 359.469 6.554 0 1 FKAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1C)(C1CC1)CC2=O 587488288 IUQJBMBXLSIVTO-QHCPKHFHSA-N 350.458 5.010 0 1 FKAF C[C@@]1(c2c(F)ccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587503449 GWYOQTRDMGEHAE-FQEVSTJZSA-N 362.803 5.378 0 1 FKAF C[C@]1(Cc2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587505580 HXHYZYXQJSRXQF-NRFANRHFSA-N 374.402 5.551 0 1 FKAF COc1cc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1C 587521173 BCBSWBGPSOLASQ-NRFANRHFSA-N 350.458 5.206 0 1 FKAF Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587540592 BBNXDUFZLIIREZ-UWJYYQICSA-N 366.800 5.057 0 1 FKAF Cc1c(Cc2ccccc2Br)[nH]c2cc(Cl)c(F)cc12 587627761 AMJWNWDAVXQHEH-UHFFFAOYSA-N 352.634 5.622 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C)c(-n3nc(C)c(Br)c3C)c2c1 587639563 ZTNBJCXYTRBWML-JTQLQIEISA-N 360.299 5.555 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2Cl)N1 587716060 DFWDHSDHVJYGKR-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF CC/C=C\CC/C=C\[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587820032 NWJCGHLIYLDQQG-ZCHQWOMRSA-N 352.291 5.466 0 1 FKAF CC(C)c1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587820059 OIUWWWDTQOJKBP-CWTRNNRKSA-N 362.286 5.335 0 1 FKAF CC(C)[C@H]1CC[C@]2(C[C@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587822380 KCJUDZLYPAGLTN-DZDCQFRTSA-N 368.334 5.410 0 1 FKAF FC(F)(F)c1cccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587950439 LRJJZTVCSMWOLV-UHFFFAOYSA-N 350.384 5.067 0 1 FKAF CC/C(=C\c1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(C)cc1 587968448 SUAPETWHNSLSHR-CAPFRKAQSA-N 368.480 6.401 0 1 FKAF CCCCC[C@]1(c2ccnc(Cl)c2)c2ccccc2C[C@H](C)N1CCC 963241213 MQACLYRDDCTBGQ-MBSDFSHPSA-N 370.968 6.216 0 1 FKAF Fc1cc(Cl)cc(-c2ccc([C@@H]3NCCc4cc(Cl)ccc43)cc2)c1 963390614 LMSUCTCUBNDVSU-NRFANRHFSA-N 372.270 6.035 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(Cl)c3)cc(-c3cccs3)n2)c1 1857564819 UJSWHKUIRSZPKW-UHFFFAOYSA-N 363.869 6.503 0 1 FKAF COc1cc(O)ccc1-c1cc2c(OC)c(CC=C(C)C)c(O)cc2o1 1911574945 IKAKCXYPOMCITO-UHFFFAOYSA-N 354.402 5.037 0 1 FKAF CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c2ccccc2oc1=O 2356519102 NJJDBBUWWOAOLD-UHFFFAOYSA-N 366.501 6.460 0 1 FKAF CCCCCC=CCC=CCCCCCc1cc(=O)c2ccccc2[nH]1 2356606002 YUVGUUFSLOQITK-UHFFFAOYSA-N 351.534 6.714 0 1 FKAF Cc1noc(C)c1-c1ccc(C(=O)Nc2ccc(C(C)C)cc2)c2occc12 61896210 VZNMIPKFRONCFB-UHFFFAOYSA-N 374.440 6.080 0 3 FKAF COC(=O)C[C@H](CCCCCCCCCCCCC(C)C)OC(C)=O 5662813 ZKWLTUFZOPIFMI-FQEVSTJZSA-N 356.547 5.818 0 1 FKAF biogenic CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(Cl)cc1 13441086 MRAJXEJREVLHNF-UHFFFAOYSA-N 373.968 6.874 0 1 FKAF Clc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)cc1 27655946 XHEZUEUUXQZLJM-UHFFFAOYSA-N 357.284 6.115 0 1 FKAF CCCCCn1cc(NC(=O)OC(C)(C)C)c(=O)cc1-c1ccccc1 66260143 UFDYDJZMNDNHGH-UHFFFAOYSA-N 356.466 5.053 0 1 FKAF CC(C)C[C@]1(c2ccccc2)CC(O)=C(SCc2ccccc2)C(=O)O1 100363945 MPYJOFOAQGVYAJ-JOCHJYFZSA-N 368.498 5.578 0 1 FKAF CCCCSCSC[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 101174556 WQIBDBVSAJGYND-SVRQAYRMSA-N 372.596 5.205 0 1 FKAF 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 169294414 ZKTFUNZCYRUILZ-UKUAEHENSA-N 368.609 5.072 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCNC(=O)NCCO 169715930 UTJXDMXYAUJWRW-AVHBIOJASA-N 362.558 5.034 0 1 FKAF O=c1c2ccccc2nc(-c2ccccc2/C=C/c2ccccc2)n1C1CC1 299862531 NHDFBKDDROXSEL-CCEZHUSRSA-N 364.448 5.569 0 1 FKAF Brc1ccc(-c2ncncc2-c2csc3ccccc23)s1 299866688 WEPDPPVJAYGHPS-UHFFFAOYSA-N 373.300 5.849 0 1 FKAF CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N1CCCCC1 299869363 UNEAHNQYVSQCCD-HVMDOBLNSA-N 365.602 6.007 0 1 FKAF Cc1cc(Cl)cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074019 OXYDSNMUAACBTI-QGZVFWFLSA-N 360.288 5.515 0 1 FKAF C[C@@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1C(F)(F)F 587096448 BKGKQBPRTLRIAN-SECBINFHSA-N 374.284 5.632 0 1 FKAF O=C1c2ccccc2-c2c(CCCOc3ccccc3)cnc3cccc1c23 587105645 CKAGFHKEWJUPJY-UHFFFAOYSA-N 365.432 5.458 0 1 FKAF Cc1ccc(C)c2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc12 587128065 FDTRLPGDNMWXSB-UHFFFAOYSA-N 355.413 5.908 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1F 587151490 IDABSWLRKQEWEW-BDAKNGLRSA-N 372.724 5.784 0 1 FKAF N[C@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(F)cc1F 587151727 VDTKOBQPXKVELG-IBGZPJMESA-N 367.424 5.040 0 1 FKAF COc1ccc(-c2ccc(-c3nc4ccc(C)cc4[nH]3)c(F)c2)c(F)c1 587153367 ZDQJTICVWPKCSY-UHFFFAOYSA-N 350.368 5.492 0 1 FKAF CC[C@@H](Oc1ccccc1F)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587154252 AQJYBZLQKGEZDO-CYBMUJFWSA-N 372.749 5.904 0 1 FKAF COc1cc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2cc1Cl 587169831 BGZBGYGABQDMRX-SNVBAGLBSA-N 350.846 5.260 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)c1 587235333 NRBZIKJNXUUUDV-UHFFFAOYSA-N 351.812 5.731 0 1 FKAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccc(Cl)c1Cl)[C@@H](C2)C3=O 587420371 IGZAHASKJHUJCN-HUTHGQBESA-N 369.631 5.144 0 1 FKAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3cc(CC)ccc3o1)CC2=O 587486331 XIQMEDJEPOMWTF-QHCPKHFHSA-N 364.441 5.534 0 1 FKAF O=C1C[C@H](c2sccc2Br)Oc2c1ccc1c2CCCC1 587532301 PHFAOGXWVOXPCJ-OAHLLOKOSA-N 363.276 5.096 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C)s3)c2c1 587642376 RKKFRSVPDNYFBA-JTQLQIEISA-N 365.420 6.301 0 1 FKAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccnc1Cl 587853678 AUCBKLOIVOQPMZ-UHFFFAOYSA-N 368.651 5.293 0 1 FKAF FC(F)(F)Oc1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587966244 ATTYACOYCQWMMT-DHZHZOJOSA-N 354.331 5.785 0 1 FKAF Cc1nc(-c2cc3cc(Oc4ccccc4)ccc3[nH]2)sc1C(=O)O 653690522 QAYZZPRKTRRNSV-UHFFFAOYSA-N 350.399 5.090 0 1 FKAF CCCN1[C@H](c2ccsc2Br)c2ccccc2C[C@H]1C 963225720 FVIDEWIISOARCZ-WBMJQRKESA-N 350.325 5.257 0 1 FKAF Cc1noc(C)c1-c1cc(O)cc([C@@H](O)c2ccc(Cl)c(Cl)c2)c1 1857638141 USIBYJHINQDAJV-SFHVURJKSA-N 364.228 5.053 0 1 FKAF CCCCCc1cc(OC(C)=O)c2c(c1)O[C@@H]1C[C@@H](C)CC=C1C2(C)C 2356454702 UMXVDHZQRJOECL-HNAYVOBHSA-N 356.506 5.740 0 1 FKAF CCCC1CCC2(CC1)CC[C@@H]2OC(=S)NCc1cccc(OC)c1 205705033 OISXUMNSHIMLSH-BSLVTKGXSA-N 361.551 5.225 0 3 FKAF CCCC[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 7991715 XBWNUARXPPYDQT-GPXNEJASSA-N 373.496 6.244 0 1 FKAF aggregator CCCC/C=C\CCCCCCCCCCCc1cccc(O)c1C(=O)O 15270265 KFSFAHOBWUACJO-WAYWQWQTSA-N 374.565 7.280 0 1 FKAF C/C=C(/c1ccccc1OCc1ccc(Cl)cc1Cl)n1ccnc1 28765153 IFZMLCWQHUAOIW-VKNLYSTLSA-N 359.256 5.678 0 1 FKAF Nc1ccc(/C=C/c2ccc(-c3nc4ccc(OCCF)cc4o3)cc2)cc1 29129010 XGFXEFFLCCASGV-OWOJBTEDSA-N 374.415 5.596 0 1 FKAF Oc1ccc(/N=c2\cc(-c3ccc4ccccc4c3)[nH]c3ccccc23)cc1 29487326 WPRSYWMNVDOMLM-UHFFFAOYSA-N 362.432 5.926 0 1 FKAF CC(C)=CCC/C(C)=C/CC[C@]1(C)CC(=O)c2cc(C(=O)O)ccc2O1 40379614 WGCDLRCGHUQPCD-KYIYGJGQSA-N 356.462 5.582 0 1 FKAF Cc1ccc(-c2ccc(C(=O)N(C)CCc3c[nH]c4ccccc34)cc2)cc1 40974188 OTCJMZXMPRAJEN-UHFFFAOYSA-N 368.480 5.458 0 1 FKAF O=C(CCc1nnc(-c2ccccc2)o1)c1ccc(-c2ccccc2)cc1 43024058 HHFUGHMAMCWSRG-UHFFFAOYSA-N 354.409 5.219 0 1 FKAF c1cc(CN2CCCCC2)cc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 45192293 CABJHEPHSOLBMI-UHFFFAOYSA-N 367.496 5.883 0 1 FKAF CCCCOc1ccc([C@@H](CC)NC(=O)Oc2ccc(F)cc2F)cc1 45357130 OUGGRSQJZDSDPU-GOSISDBHSA-N 363.404 5.383 0 1 FKAF Clc1ccccc1CN[C@H]1CCCC[C@H]1NCc1ccccc1Cl 66099966 XDBJAXHEOYTFTA-BGYRXZFFSA-N 363.332 5.184 0 1 FKAF CCCO[C@](C)(Nc1ccccc1C(=O)CC)c1onc2ccccc12 68588228 XAWHWJXVMDOXFB-NRFANRHFSA-N 352.434 5.132 0 1 FKAF biogenic Fc1cccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc23)c1 72116389 RQULLELDGWGORQ-UHFFFAOYSA-N 351.331 5.458 0 1 FKAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(F)c2)C2=C(O)CCCC2=N1 103521123 ZNKHGJYOYUBSOK-HXUWFJFHSA-N 369.436 5.120 0 1 FKAF CC1=C(C(=O)OC2CCCC2)[C@H](c2cccs2)C2=C(O)CCCC2=N1 103869118 TWSISYFKKXTRLV-IBGZPJMESA-N 357.475 5.042 0 1 FKAF c1cncc(CN2CCNc3ccc(-c4csc5ccccc45)cc3C2)c1 473131885 PURMYQYVAANUIJ-UHFFFAOYSA-N 371.509 5.391 0 1 FKAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(F)c(F)cc3[nH]2)c1 586878181 DJXUZBXXNDNBOF-UHFFFAOYSA-N 362.379 5.356 0 1 FKAF CCC(C)(C)c1ccc(-c2nc3c(Cl)cc(C(=O)OC)cc3[nH]2)cc1 586882257 YBADCEJUMYGMBO-UHFFFAOYSA-N 356.853 5.358 0 1 FKAF CC(C)c1cc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c(O)c(C(C)C)c1 586897162 ZJCOMSSZBVDNND-UHFFFAOYSA-N 350.506 6.480 0 1 FKAF Cc1c(Br)ccc2nc(CCc3cc4ccccc4o3)[nH]c12 586903176 GKLYRNZFRUZKPE-UHFFFAOYSA-N 355.235 5.165 0 1 FKAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586912422 OMUZJEXRCZCYHT-KDOFPFPSSA-N 363.486 5.512 0 1 FKAF Cc1ccc(-c2nc(-c3nc4ccc5nc(C)ccc5c4[nH]3)c(C)s2)cc1 587013300 STQSYTLULZKJRH-UHFFFAOYSA-N 370.481 5.827 0 1 FKAF CCc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2c1 587031519 SIBNQQFZHULERF-CQSZACIVSA-N 361.514 6.084 0 1 FKAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(C)c(Cl)ccc2[nH]1 587067014 YEJGBWIMEAAPKW-UHFFFAOYSA-N 356.256 5.944 0 1 FKAF Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1C 587095065 OUWLUDSXAZHWLO-UHFFFAOYSA-N 358.285 5.884 0 1 FKAF Fc1cccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1C(F)(F)F 587097251 HQDPUUQOBYWOIK-UHFFFAOYSA-N 350.102 5.090 0 1 FKAF Cc1cccnc1-c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587097983 RIWPVMZBEUEBJG-UHFFFAOYSA-N 350.421 5.433 0 1 FKAF Cc1c(Br)cc2nc(-c3cc(S)ccc3F)[nH]c2c1C 587141789 WTZZBSYDNHJVSG-UHFFFAOYSA-N 351.244 5.037 0 1 FKAF Cc1cc(Cl)cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 587146012 ZRXSHDNHIQGYRX-UHFFFAOYSA-N 350.824 5.922 0 1 FKAF CCCCC[C@H]1CC[C@H]([C@@H]2CCc3nc4cccc5c4c(c3C2)CC5)CC1 587214704 DJSMSGKMLZDFMD-SFHLNBCPSA-N 361.573 6.825 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cc([C@H](C)CC)ccc1OC)CC2=O 587478836 KMSQXAHUMHCEBF-JLCFBVMHSA-N 368.473 5.573 0 1 FKAF O=C1C[C@@H](c2cccc(-c3ccccc3F)c2)Oc2c1ccc1c2CCCC1 587500817 DFCSBBMBYWRPAG-DEOSSOPVSA-N 372.439 6.078 0 1 FKAF CSc1ccc2c(c1)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587532782 OLMJTUDQHWYQEH-QHCPKHFHSA-N 364.510 5.484 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2C(C(C)(C)C)(C(C)(C)C)N1 587812512 QZYMGJPZDRTSND-LLVKDONJSA-N 356.323 5.410 0 1 FKAF CC(C)[C@@H]1CC[C@]2(C[C@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587824803 YTXMIYAQMSWPEP-PITQQHRWSA-N 368.334 5.410 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C)(C)[C@H]1CC[C@]2(C)C1 587829686 SEQOBEOBZDGNJR-JUPFADAESA-N 366.318 5.164 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2csc(Cl)c2)N1 587849158 QZUCYAXFTGZQOE-AYVTZFPOSA-N 374.706 5.101 0 1 FKAF CC(C)Oc1ccc(OC(C)C)n1-c1cc(Cl)cc(Br)c1 587939332 BAEHZCVYSSHUGV-UHFFFAOYSA-N 372.690 5.468 0 1 FKAF Cc1cc2c(cc1F)[C@](c1ccccc1)([C@H](c1ccccc1)C(C)C)NCC2 962294157 ARTPCAMHWXEGQE-IZZNHLLZSA-N 373.515 5.963 0 1 FKAF O=C(c1ccco1)N(Cc1nccs1)c1ccc(-c2ccccc2)cc1 1857606354 YLUMBWSRTBQXSD-UHFFFAOYSA-N 360.438 5.250 0 1 FKAF CC(C)=CCCC(C)=CCC[C@]1(C)C=Cc2c(c3ccccc3oc2=O)O1 2356472798 JQLNFODDCYXPCO-XMMPIXPASA-N 364.485 6.430 0 1 FKAF C[C@@]1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2c(Cl)cccc21 61896661 HKGDGADDOPKUHK-INIZCTEOSA-N 374.189 5.465 0 3 FKAF CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2ccoc12 13303769 MXJNLOCPZJNQMY-IBGZPJMESA-N 364.397 5.059 0 1 FKAF biogenic,in-vivo Cc1c(C)c(O)c([C@H](CCCCCC(=O)O)c2ccc(F)cc2)c(C)c1O 13456443 QBZKMUITKDUXRQ-GOSISDBHSA-N 374.452 5.329 0 1 FKAF Cc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1C 13704360 JTABVHWBBCBYGG-UHFFFAOYSA-N 367.452 5.408 0 1 FKAF CO[C@@]1(c2cccc(OCc3ccc4ccccc4c3)c2)CCCOCC1 13725374 CFFDUDQFUWAZDZ-DEOSSOPVSA-N 362.469 5.461 0 1 FKAF CSc1ccc(/C=C2\C=C(CCN3CCOCC3)c3ccccc32)cc1 27302949 SAMABCWVJVVWMU-CAPFRKAQSA-N 363.526 5.068 0 1 FKAF C[C@H]1OC(=O)[C@@H]2C=C3CCCC[C@H]3[C@H](/C=C/c3cnc4ccccc4c3)[C@H]12 28823091 NNADNWVBTRXRCU-KHXZVZMLSA-N 359.469 5.172 0 1 FKAF Cc1cc(C(=O)O)oc1Cc1cc(Cl)ccc1OCc1ccccc1 29128674 ZZMPOZQRJMRFJK-UHFFFAOYSA-N 356.805 5.109 0 1 FKAF O=C(O)c1ccc(NCCCCCCCCCCc2ccccc2)cc1 29205873 GXIFBRAFSGFCRS-UHFFFAOYSA-N 353.506 6.160 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 40556554 KIQFUORWRVZTHT-QWRAQGELSA-N 374.565 5.715 0 1 FKAF Cc1ccccc1NC(=O)O[C@@H](Cn1nc(C(C)C)cc1C(C)C)C(C)C 40892447 SUAIBQMEKKPJPQ-NRFANRHFSA-N 371.525 5.712 0 1 FKAF CN1CCCc2ccc(NC(=O)Nc3ccc(-c4ccccc4)cc3)cc2C1 45302182 VXYQUEFNKIXUDJ-UHFFFAOYSA-N 371.484 5.376 0 1 FKAF Fc1cc(F)c(Cl)c(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1Cl 95588357 IJNSXDVGJQEXPC-ZBEGNZNMSA-N 358.215 5.001 0 1 FKAF ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3[C@@]1(Cl)C2(Cl)Cl 137881729 QBYJBZPUGVGKQQ-BKWWOGQESA-N 364.914 5.270 0 1 FKAF CC(C)/C=C\[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257387097 BKWBRNDZAJHCMT-YAQLLKQXSA-N 370.621 6.775 0 1 FKAF endogenous,in-man O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@H]3C(F)(F)F 586985375 CNZGWYXULFCVKZ-GFCCVEGCSA-N 369.342 5.134 0 1 FKAF Fc1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 587001833 QZNMZFFATPBRIM-UHFFFAOYSA-N 371.209 5.197 0 1 FKAF Cc1ccc(-c2nc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)cs2)o1 587017180 SMMMEGLZMCVODX-UHFFFAOYSA-N 373.437 6.047 0 1 FKAF Fc1cc(C(F)(F)F)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 587018019 TXWFQRKIJZXXQW-UHFFFAOYSA-N 367.327 5.028 0 1 FKAF c1cnc2ccc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3c2c1 587033542 WYIFOAGIIHQSCB-UHFFFAOYSA-N 356.454 5.119 0 1 FKAF c1ccc(COc2cccc3nc([C@@H]4Cc5ccccc5S4)[nH]c23)cc1 587043156 POEMKDWEACGHLZ-FQEVSTJZSA-N 358.466 5.531 0 1 FKAF COc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1F 587050670 QPNZPIGFYSJFEL-BDAKNGLRSA-N 351.208 5.289 0 1 FKAF FC(F)(F)c1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cn1 587053342 CWXDAYYAXOIQCO-SNAWJCMRSA-N 358.150 5.454 0 1 FKAF Cc1cc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c(C)n1 587063485 OEXKKLLYDXTGFE-UHFFFAOYSA-N 363.848 5.474 0 1 FKAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(C)cc3[nH]2)n1 587079111 GFPSJWDEZFZKIV-VIFPVBQESA-N 367.678 5.122 0 1 FKAF Cc1c(F)ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587151883 VDTDYXXSIBNJFG-HXUWFJFHSA-N 368.358 5.457 0 1 FKAF Fc1ccccc1-c1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587153691 YVQFIBRDSOSJJT-UHFFFAOYSA-N 357.215 6.343 0 1 FKAF CC1(C)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354150 NDFQMSISITZDSR-DENIHFKCSA-N 354.421 5.229 0 1 FKAF COc1cccc(-c2cc(-c3oc(C)cc3C)nc3c2oc2ccccc23)c1 587364961 BGVGPKDWWIBZDJ-UHFFFAOYSA-N 369.420 6.533 0 1 FKAF CCC(=O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587365237 ITHRWTZPMJABAB-UHFFFAOYSA-N 359.425 5.487 0 1 FKAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](Cc3ccccc3)C1)CC2=O 587479796 JEEUISSJOUTQBU-HOYKHHGWSA-N 364.485 5.482 0 1 FKAF CCCc1ccc([C@]2(CC)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587490140 RULXZALGJNACGE-QHCPKHFHSA-N 352.474 5.568 0 1 FKAF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1O 587496799 FSTVVQNLCOJWJR-SFHVURJKSA-N 372.848 5.030 0 1 FKAF CCCCCCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587530254 DKXNYUILVJKGBY-OAQYLSRUSA-N 368.542 6.456 0 1 FKAF CCOC(=O)c1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)c1ccccc1F 587639937 AVPJQSZNRMLOCG-CYBMUJFWSA-N 367.420 5.228 0 1 FKAF Clc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783556 CFTSALCITADXKJ-MDWZMJQESA-N 360.844 5.966 0 1 FKAF CC(C)C[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587819623 VYTYBGIUARGIKG-TYILLQQXSA-N 368.334 5.554 0 1 FKAF O=C(O)c1cc(O)cc(-n2c(-c3cccs3)ccc2-c2cccs2)c1 587926836 QKODESVEXBIVRL-UHFFFAOYSA-N 367.451 5.338 0 1 FKAF Fc1ccc(-c2cn3nc(-c4c[nH]c5ccc(Cl)cc45)sc3n2)cc1 1857548815 BWSQFSCWLULAMZ-UHFFFAOYSA-N 368.824 5.399 0 1 FKAF CCCOc1c(-c2csc3ccccc23)oc2ccc(OC)cc2c1=O 1857607088 JZRWKMGFSKEWLC-UHFFFAOYSA-N 366.438 5.472 0 1 FKAF CC(C)(CCC(C)(C)[N@]1O[C@@H]1c1ccccc1)[N@@]1O[C@H]1c1ccccc1 1857623528 ZVYPDPQJQPXXNB-GKIBHXGMSA-N 352.478 5.216 0 1 FKAF CC(C)=C[C@@H](CC(C)=CCc1ccc2cc[nH]c2c1)c1ccc2cc[nH]c2c1 2356777640 ALEZJGJWOKXYLK-DEOSSOPVSA-N 368.524 7.278 0 1 FKAF COc1cc([C@@H](C)c2ccc3c(c2)Nc2ccccc2S3)ccc1Cl 2382230625 RULHNXORRZGGSO-ZDUSSCGKSA-N 367.901 6.709 0 1 FKAF FC(F)(F)Oc1cccc(-c2cc3c(cn2)ncn3Cc2ccccc2)c1 205224589 USWKGZOOFRRLOO-UHFFFAOYSA-N 369.346 5.045 0 3 FKAF CCOc1cc(/C=C\c2ccc(OC)c(F)c2)cc(OCC)c1OCC 13607885 RJQUGRQWWZIMER-HJWRWDBZSA-N 360.425 5.201 0 1 FKAF CCCC[C@@H](O)c1cc2cc(C)c(C(=O)O)cc2n1CCc1ccccc1 28949289 WAFNQUKRGZSXOS-JOCHJYFZSA-N 365.473 5.114 0 1 FKAF C[C@@H]1N=C(S)N(Nc2cc(Cl)ccc2Cl)[C@@H]1c1ccccc1 29330149 QWHAZJTXPSTYRY-BONVTDFDSA-N 352.290 5.052 0 1 FKAF c1ccc([C@H]2CN(CCCc3cccnc3)Cc3c2[nH]c2ccccc32)cc1 29489246 JULFDEFXVAZHOF-JOCHJYFZSA-N 367.496 5.143 0 1 FKAF OC[C@H](OCc1ccccc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 40429809 VYDVCXABRAUPPX-FCHUYYIVSA-N 367.876 5.071 0 1 FKAF CCN(CC)C[C@H](O)c1cc(-c2ccc(C)cc2)nc2c(C)cc(C)cc12 45302854 OUVRMVVWPYKHHU-QHCPKHFHSA-N 362.517 5.202 0 1 FKAF CCOc1ccccc1-c1nc(CN(C)Cc2cccc3ccccc23)co1 72183775 SIJVFWVUXLKVBA-UHFFFAOYSA-N 372.468 5.526 0 1 FKAF O=C(O)c1[nH]nc(-c2ccccc2)c1Cc1cccc(-c2ccc(F)cc2)c1 95552329 NDBCGPVHYFANDW-UHFFFAOYSA-N 372.399 5.172 0 1 FKAF Cc1cc(/C=C2\SC(=O)NC2=O)ccc1OCCCC1CCCCC1 139421961 XQGPPYFBVOHDNJ-AQTBWJFISA-N 359.491 5.058 0 1 FKAF CC/C=C\CCSC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169728561 YDJGESKTURUXSO-YXVURXIDSA-N 352.540 5.071 0 1 FKAF Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccnc1 224278240 POCKVGBBOSNETH-UHFFFAOYSA-N 372.346 5.208 0 1 FKAF CC(C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 257512288 PISAKMAGVQHRRZ-BGBYELAESA-N 370.621 6.775 0 1 FKAF endogenous,in-man CCC(C)(C)c1ccc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)cc1 586881078 SAAOXQPBOGAERG-UHFFFAOYSA-N 371.322 6.297 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc(F)c4O)nc13)-c1ccccc1C2=O 586995951 NZVXGSCJDREVQO-UHFFFAOYSA-N 355.368 5.266 0 1 FKAF Cc1c(Cl)ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587050481 PCHCOQHGQHCDTI-NXEZZACHSA-N 351.664 6.103 0 1 FKAF CC(C)(C)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 587075811 KNAFEGCNTUCNLO-KRWDZBQOSA-N 368.912 5.246 0 1 FKAF CC(C)c1c(-c2ccccn2)nc2cccc3c2c1-c1ccccc1C3=O 587105743 GXIMZNLGUWFBLA-UHFFFAOYSA-N 350.421 5.632 0 1 FKAF C[C@@H](Oc1ccccc1O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105891 GPRISJOLDOKATE-CQSZACIVSA-N 367.404 5.292 0 1 FKAF CC[C@@H](C)[C@H]1CC(=O)Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587208717 YQIVHZIVJNNVEO-FZKQIMNGSA-N 355.437 5.091 0 1 FKAF Cc1ccc(-c2ccc(O[C@H](C)c3cc4c5c(cccc5n3)CC4)cc2)cc1 587211907 MNNILVUWHPFZFC-GOSISDBHSA-N 365.476 6.449 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)cc1 587242924 ZGUWMMLSNHAROA-UHFFFAOYSA-N 353.784 5.472 0 1 FKAF Cc1cccc2c1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355099 SOFULDFTFVHSDU-ISKFKSNPSA-N 374.411 5.040 0 1 FKAF COc1cccc(-c2cc([C@H](N=O)C(C)=O)nc3c2oc2ccccc23)c1 587359008 CGWNKUUCUUFNBZ-LJQANCHMSA-N 360.369 5.053 0 1 FKAF Cc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1C(F)(F)F 587504855 GRSRQAXFMQYONZ-NRFANRHFSA-N 374.402 5.773 0 1 FKAF CC(C)(C)[C@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525831 RWTXGLNTLFQBAV-VWLOTQADSA-N 362.513 5.948 0 1 FKAF CCCC[C@@H]1Cc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587528147 YMDQSGADDCUGKA-CLOONOSVSA-N 360.497 5.789 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3cn(C)nc3C)c(C(=O)C(F)(F)F)c2c1 587640728 IYCGRAGQCVBCIU-JTQLQIEISA-N 363.383 5.135 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2Cl)N1 587720258 NCWDRNYXIYSALR-VPTHRUTESA-N 372.640 5.004 0 1 FKAF CC(C)[C@@]1(C)CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587819169 GYNGHYMVXWJTBT-UUWFMWQGSA-N 354.307 5.164 0 1 FKAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(Cl)cc(Cl)c2[nH]1 587934655 LYVBPYOBVFJWPH-UHFFFAOYSA-N 359.256 5.451 0 1 FKAF Cc1ccccc1-c1ccc(Cc2nc3cc(Cl)c(F)cc3[nH]2)cc1 587960307 YYMNTUMVGCCHJW-UHFFFAOYSA-N 350.824 5.922 0 1 FKAF Fc1c(Cl)cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1F 587962755 XNFYQQIVZBPTKI-UHFFFAOYSA-N 354.787 5.752 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(F)cc2)(C(C)(C)CC)N1 962951639 UKGWGMLNSDWABI-MHECFPHRSA-N 364.508 5.911 0 1 FKAF CCN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1cccc2cc[nH]c12 1772641712 MQCPLAJBRCKXEK-SNAWJCMRSA-N 358.407 5.722 0 1 FKAF CCn1c2ccccc2c2cc(N(C)c3cc(C)nc4ccccc34)ccc21 1857553214 UIZKHJJHNGETCM-UHFFFAOYSA-N 365.480 6.439 0 1 FKAF C[C@H](CCC(=O)O)[C@@H]1CCC2=C3CC[C@@H]4C=CCC[C@]4(C)[C@H]3C=C[C@]21C 2356621847 SDCFNOCWBVAGES-WSJXNRRVSA-N 354.534 6.153 0 1 FKAF COc1ccc([C@@](C)(O)c2nc(-c3ccc4ccccc4c3)cs2)cc1 61928965 WZYSVWMYBHXOCI-JOCHJYFZSA-N 361.466 5.228 0 3 FKAF COc1cc(C)ccc1Oc1ccc2c(-c3ccccc3F)noc2n1 205226526 VBMYAOXBRPLOFJ-UHFFFAOYSA-N 350.349 5.138 0 3 FKAF C[C@H]1CC=C[C@@H]2[C@@H](c3ccc4ccccc4c3)N(Cc3ccccc3)C(=O)[C@H]12 13829860 RBOGTOKHHDCLPU-URPHZZJISA-N 367.492 5.752 0 1 FKAF CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1N(C)C 14974970 FKKBPZNHBQHYDP-UHFFFAOYSA-N 356.510 5.741 0 1 FKAF CC(C)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)c2ccc(O)c(C(C)C)c2O1 15195128 DQQSNOMAPLESJP-MSYCTHLASA-N 360.538 6.133 0 1 FKAF biogenic C1CC[C@H]2C[C@H](N3CCCN([C@@H]4CC[C@@H]5CCCC[C@@H]5C4)CC3)CC[C@@H]2C1 23247648 UGLVJORGECAOIY-MAKNZWJESA-N 372.641 5.712 0 1 FKAF CCCCCc1cc2c(c3c1CCCO3)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 26983706 ZSWRBXLXOXOSOJ-WOJBJXKFSA-N 354.534 6.355 0 1 FKAF Fc1ccc(CCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1F 28123470 NXRZXKYDWFYKTL-ZRZAMGCNSA-N 362.423 5.382 0 1 FKAF C[C@H]1CCC[C@H](C)N1C[C@@H](O)CSC(c1ccccc1)c1ccccc1 28221580 OCNUIQXAVRCMGG-CNNODRBYSA-N 369.574 5.133 0 1 FKAF Cc1c(OCCCCSc2cccnc2)ccc(C(=O)CC(C)C)c1O 28366064 HRGOFLINZMTKIK-UHFFFAOYSA-N 373.518 5.276 0 1 FKAF N=C(N)c1ccc2cc([C@H]3C[C@H]3c3ccccc3)cc(-c3ccoc3)c2c1 34717864 YWICPAXCVQQOLK-XZOQPEGZSA-N 352.437 5.655 0 1 FKAF CC(C)c1ccccc1Sc1c(O)cc(-c2cccc(Cl)c2)oc1=O 36124546 SKZIETYYFMFBNM-UHFFFAOYSA-N 372.873 5.940 0 1 FKAF CC(=O)OCC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CC[C@@H](C)CC(=O)O 43510278 QSEIUMVWJJWZJP-YCPVIHDHSA-N 364.526 5.219 0 1 FKAF Clc1ccc2c(c1)C[C@H](c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2 49032938 UZCCTVAKBCSSGF-ZDUSSCGKSA-N 367.861 5.059 0 1 FKAF CC1(C)C[C@H](c2nc(-c3cc4ccccc4oc3=O)cs2)CCS1 68588848 QNLPGUXHLTVCHZ-CYBMUJFWSA-N 357.500 5.306 0 1 FKAF biogenic O[C@@H]1c2ccccc2C[C@]1(Cc1ccccc1)C1=Cc2ccccc2CC1 71340479 VLHRUWJMZKYRCS-CLJLJLNGSA-N 352.477 5.535 0 1 FKAF COc1ccc(CC(=O)N2c3ccccc3Oc3ccc(Cl)cc32)cc1 72110213 KEFBPWNGFHWDMA-UHFFFAOYSA-N 365.816 5.362 0 1 FKAF Cc1cc(N2[C@@H](C)CC[C@@H]2C)nc(CCCCCCCCCCO)c1O 95553747 AURFUKHLZFVZBD-OALUTQOASA-N 362.558 5.128 0 1 FKAF CC(C)C[C@@]1(c2ccccc2)CC(O)=C(SCc2ccccc2)C(=O)O1 100363949 MPYJOFOAQGVYAJ-QFIPXVFZSA-N 368.498 5.578 0 1 FKAF Nc1c2c(nc3nc(-c4ccccc4)cc(C(F)(F)F)c13)CCCCCC2 103168221 FSRJERZUZMLIQD-UHFFFAOYSA-N 371.406 5.557 0 1 FKAF CC/C(=C(\c1ccccc1)c1ccc(/C=C\C(N)=O)cc1)c1ccccc1 149716151 QIWNCEGBUJPBSM-RAOUGZJESA-N 353.465 5.554 0 1 FKAF CCCCN(CCCC)C(=O)c1cccc(-c2ccc3c(c2)OCO3)c1 169349620 ZBZAIYLMMBIWSD-UHFFFAOYSA-N 353.462 5.125 0 1 FKAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc([C@H]4CCCCO4)cc3)cc12 205355149 GKPYSXKYDOSNMQ-LJQANCHMSA-N 355.821 5.428 0 1 FKAF CC[C@H](C)CCCCCCCCCCCCCCCCC[C@@H](O)C(=O)O 238775871 ALYIKYZHKASNGR-FCHUYYIVSA-N 370.618 7.110 0 1 FKAF Cc1ccc(C)c2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc12 586961193 SQADDIHFDWFCIR-MHZLTWQESA-N 374.509 5.218 0 1 FKAF Cc1cc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c(C)n1 586975636 OPKAOHNFJZBMCN-UHFFFAOYSA-N 371.065 5.311 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(Cl)cc(F)c2[nH]1 587012181 PPFQJUOZPUEDLW-UHFFFAOYSA-N 357.841 5.378 0 1 FKAF C[C@@H]1CCc2sc(-c3nc4cc(F)c(Br)cc4[nH]3)cc2C1 587034644 WQBAIZXHEIVBDE-MRVPVSSYSA-N 365.271 5.318 0 1 FKAF O=C(Nc1ccccc1Cl)c1nc2cc(SC(F)(F)F)ccc2[nH]1 587060487 NRNMVTDPOCDCFK-UHFFFAOYSA-N 371.771 5.081 0 1 FKAF Fc1cc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2cc1C(F)(F)F 587084662 PKFJISWSEYDQKL-UHFFFAOYSA-N 350.102 5.090 0 1 FKAF FC(F)(F)c1cccnc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587109119 SNUIBEJKBAMOJH-UHFFFAOYSA-N 355.319 5.436 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccoc2CC3)c1 587364906 ANYQHFFLKADYBJ-UHFFFAOYSA-N 367.404 6.015 0 1 FKAF CCC[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587383440 XCILPIZQKQFGKG-IBGZPJMESA-N 363.379 5.257 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)(C)C)cc1)(C(C)C)O2 587404076 UPQBNABJPMCCMU-HSZRJFAPSA-N 351.490 5.391 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](C)Cc1ccc(C(C)(C)C)cc1)O2 587406690 UDWDTZQVIIUHIN-QVKFZJNVSA-N 351.490 5.087 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3cccc(F)c3o1)CC2=O 587473270 ZFNSRQXENGLDLV-OAQYLSRUSA-N 354.377 5.111 0 1 FKAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](Cc3ccccc3)C1)CC2=O 587479814 JEEUISSJOUTQBU-KOSHJBKYSA-N 364.485 5.482 0 1 FKAF CCCOc1ccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587485379 VZRCZJFEPHXPFH-QFIPXVFZSA-N 354.446 5.014 0 1 FKAF Cc1ccc([C@]2(c3ccccn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514760 JTVBLMHCTYGWCM-VWLOTQADSA-N 369.464 5.178 0 1 FKAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]1CCCC[C@@H]12 587601678 FIMPKSFVDKCJSB-OCZPFTLSSA-N 364.441 5.083 0 1 FKAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](c3ccccc3)C2)N1 587819652 WFVVCRBXSQNXIR-XBHMSOGKSA-N 374.297 5.285 0 1 FKAF Cc1ccc(-c2csc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1C 587921483 YLULSTKUBBGYPI-KRWDZBQOSA-N 372.534 5.541 0 1 FKAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(Br)nc2[nH]1 587952090 XXGQIWVQZPBNBB-NSHDSACASA-N 368.234 5.014 0 1 FKAF COc1ccc(C[C@@H](C)[C@@H]2NCCc3cccc(-c4ccccc4)c32)cc1 962666905 UARLKDZHONFUGO-CJAUYULYSA-N 357.497 5.428 0 1 FKAF Cc1cc(C)cc([C@@]2(CCc3ccccc3)NCCc3c(C)ccnc32)c1 963070197 FNEMYJOIRGWQNS-RUZDIDTESA-N 356.513 5.029 0 1 FKAF COc1c(Cl)cccc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772585259 PIGAAYUJTATMQL-OAHLLOKOSA-N 373.861 5.079 0 1 FKAF Cc1cc2[nH]c(C(=O)CC(C)C)c(CCc3ccccc3)c2cc1C(=O)O 1772613802 WSQUWGHHWUZWIY-UHFFFAOYSA-N 363.457 5.189 0 1 FKAF c1cncc(-c2nc(N[C@H]3CCCc4ccccc43)c3ccccc3n2)c1 1772640129 XGFDEYBZTPSJCH-FQEVSTJZSA-N 352.441 5.181 0 1 FKAF Oc1cccc(-c2cc(-c3cccc(Cl)c3)c3oc4ccccc4c3n2)c1 1772652060 ZEAJSWXDQJCPLO-UHFFFAOYSA-N 371.823 6.674 0 1 FKAF COc1cccc(-c2oc3ccc(F)cc3c2-c2ccc3c(c2)OCO3)c1 1857631311 SDBUJSMPRDKNED-UHFFFAOYSA-N 362.356 5.643 0 1 FKAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccnc(N(C)C)n1 1857759655 IXTHESQWJISUJS-UHFFFAOYSA-N 372.497 5.309 0 1 FKAF O=C(O)C=Cc1ccc(-c2cccc(C3C4CC5CC(C4)CC3C5)c2)cc1 2356421508 MMVYOMQUHIMMAV-UHFFFAOYSA-N 358.481 5.991 0 1 FKAF COC(=O)c1cc(O)c2c(c1)C[C@]1(O2)[C@H](C)CC[C@H]2C(C)(C)CCC[C@]21C 2356714625 DEEMHJXPOBTJEP-SGUSRJAOSA-N 372.505 5.115 0 1 FKAF Cc1cc(Nc2ccc(OCC3CCCCC3)cc2)c2cc(N)ccc2n1 606259 JJYHNJSMUJKPFQ-UHFFFAOYSA-N 361.489 5.828 0 1 FKAF CCCCCC[C@@H]1Cc2cc3c(cc2O1)OC[C@H]1c2cc(O)ccc2O[C@H]31 14439167 RHVATCHRZSZOTC-BVZALQNUSA-N 366.457 5.276 0 1 FKAF biogenic CN(CC(=O)N(C)[C@@H](c1ccccc1)C1CCCCC1)C1CCCCC1 26391272 YKWFFOSGPBJYAA-QHCPKHFHSA-N 356.554 5.031 0 1 FKAF CCc1ccccc1[C@@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708195 KGIQHUIJGWLRHH-RUZDIDTESA-N 371.524 5.322 0 1 FKAF CCCCc1ccc(-c2nnc(-c3ccccc3C(F)(F)F)n2C)c(C)c1 29043337 IPRSSIZOIHUKML-UHFFFAOYSA-N 373.422 5.819 0 1 FKAF Cc1ccc([C@@H](CCn2ccnc2)Oc2cc(Cl)cc(Cl)c2)cc1 40892996 NPASPCHISNRFLG-LJQANCHMSA-N 361.272 5.709 0 1 FKAF CC1=C(c2ccc(OCCCN3CCCC3)cc2)Oc2ccccc2S1 43075962 DREYZGCIOLBBDK-UHFFFAOYSA-N 367.514 5.425 0 1 FKAF Clc1ccc([C@]2(CC3CCOCC3)c3ccccc3-c3nccn32)cc1 72109327 FJLYFOIFDICQSM-JOCHJYFZSA-N 364.876 5.126 0 1 FKAF CCCCc1ccc(-c2nc(CNCc3ccc(Cl)cc3)co2)cc1 72181677 MHHMXVLHSCBUCO-UHFFFAOYSA-N 354.881 5.627 0 1 FKAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(C(C)(C)C)cc3)C2)cc1 96172824 CQBIZGAQQGSYRP-QGZVFWFLSA-N 365.517 5.334 0 1 FKAF C[C@@]1(O)C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 103247470 CQJGCQVQOOMFHY-RWDCKZERSA-N 351.465 5.478 0 1 FKAF CCC(=O)N1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1cccs1 104004952 ABEXNITWKIJUJT-FQEVSTJZSA-N 352.459 5.315 0 1 FKAF Cc1nc(NCc2ccccc2Cl)cc(-c2ccc3ncsc3c2)n1 141806430 MIMSPJMUMJBWNU-UHFFFAOYSA-N 366.877 5.327 0 1 FKAF CC1(C)CC(=O)[C@H]2C(=NC(c3ccccc3)=C[C@@H]2c2ccc(Cl)cc2)C1 169723759 FCDCXWUZDFYLGR-XMSQKQJNSA-N 363.888 5.925 0 1 FKAF Cc1nc(C2CC2)sc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587011215 DYHCSFQEDCEDSB-UHFFFAOYSA-N 359.454 5.103 0 1 FKAF CC(C)(C)c1cccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12 587068364 SVCNXWNTYYWBJH-UHFFFAOYSA-N 350.853 5.571 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc5cnccc45)nc13)-c1ccccc1C2=O 587096214 HYDVQYQMRZLVLL-UHFFFAOYSA-N 372.427 5.970 0 1 FKAF Cc1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587110559 ACSDSQPYIBSBTF-UHFFFAOYSA-N 372.312 5.694 0 1 FKAF Fc1cc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)ccc1-c1ccccc1 587145637 MPXSNCOFOXIHEH-UHFFFAOYSA-N 371.337 5.374 0 1 FKAF Fc1ccc(/C=C/c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(F)c1 587151221 XJPNBUKEBFOWAA-DUXPYHPUSA-N 358.697 5.684 0 1 FKAF CSc1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587157540 AZFJHQVTVHKBPX-UHFFFAOYSA-N 362.429 5.570 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C1C[C@@H]2CC3C[C@H](C1)C2 587208487 XCFSDCYDUSSBJL-PJPHBNEVSA-N 351.449 5.837 0 1 FKAF Cc1nc2ccccc2c(Cl)c1Cc1c(C)nc2cccc3c2c1CC3 587209256 LVNAOLZQEKEUPZ-UHFFFAOYSA-N 358.872 5.743 0 1 FKAF COc1ccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2c1 587241613 ZEGIYABPCJUUSW-UHFFFAOYSA-N 358.445 5.181 0 1 FKAF Oc1ccc(Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)cc1 587241672 FVBQRMQOEWAEAE-UHFFFAOYSA-N 370.239 5.986 0 1 FKAF CCCc1c(C(C)=O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587366079 QRGTWHOEJWJUMN-UHFFFAOYSA-N 359.425 5.812 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(Cl)cc(C)c1O)CC2=O 587462115 WHTLIUZNUNOJBF-QGZVFWFLSA-N 360.837 5.027 0 1 FKAF O=C1C[C@@H](c2ccccc2OC(F)(F)F)Oc2c1ccc1c2CCCC1 587501516 CDSPCVCMSJOLDZ-SFHVURJKSA-N 362.347 5.171 0 1 FKAF O=C1C[C@H](c2cccc(-c3cc(O)ccn3)c2)Oc2c1ccc1c2CCCC1 587515746 QORJRIMLIFCWLA-HSZRJFAPSA-N 371.436 5.040 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(=O)C(=O)OC)c2c1 587641590 NBJRDABZCNTAFG-LBPRGKRZSA-N 369.848 5.358 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3cccc(F)c3)c2c1 587642485 NZOLRIQJQUVHDD-HNNXBMFYSA-N 361.435 7.294 0 1 FKAF Cc1ccc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 587800135 AHROPKVINHUTLA-NSPYISDASA-N 373.269 5.002 0 1 FKAF CC(C)CC[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587809660 ASWBTEGOQVBKAL-YJYMSZOUSA-N 370.350 5.800 0 1 FKAF Cc1ccc(-c2ccc(-c3nc(-c4cc(F)ccc4F)cs3)cc2)cc1 587922425 QADDZVINHXBXKC-UHFFFAOYSA-N 363.432 6.731 0 1 FKAF COc1ccccc1-c1ccc(-c2nc3c(C(C)(C)C)cccc3[nH]2)cc1 587932841 RLVYNDQWQDQIEC-UHFFFAOYSA-N 356.469 6.203 0 1 FKAF CC[C@@]1(Cc2nc3cc(C)c(Cl)cc3[nH]2)CC(=O)c2ccccc2C1 587958917 ADXPAVKPCUDEEX-NRFANRHFSA-N 352.865 5.293 0 1 FKAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(Cc2cc(Cl)cnc2Cl)N1 962946826 AZPVADKFABJYEY-VLIAUNLRSA-N 374.315 5.252 0 1 FKAF C[C@]1(C2CCC(C(F)(F)F)CC2)c2ccc(F)cc2C[C@H]2CCCN21 963102364 JZCZIYAMRBYOJA-XVDPQKCLSA-N 355.419 5.430 0 1 FKAF C[C@@]1(CSc2ccc(Cl)cc2)c2c(F)cccc2C[C@H]2CCCN21 963103963 GNMXUZICCYHVBX-OXQOHEQNSA-N 361.913 5.507 0 1 FKAF CC1=C[C@H](O)[C@@]2(C)[C@@H](CC1)[C@]1(C)CC=C3[C@@H](C(C)C)CC[C@@]3(C)[C@H]1C[C@H]2O 2356323278 ARODMLJYCSKEHM-QKXWBCEFSA-N 372.593 5.499 0 1 FKAF C[C@H](O)CCCCCCC=CCCCCCCCc1cc(O)cc(O)c1 2356804989 ZNDCVGFPLZIRER-FQEVSTJZSA-N 362.554 6.259 0 1 FKAF COc1cccc([C@@H]2CCCN2Cc2nc(-c3sccc3C)oc2C)c1 13593905 RTUWXPJUIDPBCJ-IBGZPJMESA-N 368.502 5.366 0 3 FKAF FC(F)(F)c1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)c1 8536629 OXYMFDZMUCACBM-UHFFFAOYSA-N 365.358 5.825 0 1 FKAF O=C(O)c1c(Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 13588884 NNPQIUTXUNUYCF-UHFFFAOYSA-N 354.620 5.348 0 1 FKAF C[C@H](CO)[C@H]1CC[C@@H]2/C(=C/C=C3CCC4(CC3)OCCO4)CCC[C@@]21C 26653048 CYPXZNOVNNOREM-IHDASUJXSA-N 360.538 5.001 0 1 FKAF CCCCOc1ccc(-c2cc(O)c3c(C)c(C(=O)OCC)oc3c2)cc1 28381836 DPHABCHIIDUEFR-UHFFFAOYSA-N 368.429 5.469 0 1 FKAF O=c1ccc2c(-c3ccccc3)cccc2n1-c1c(Cl)cccc1Cl 29125617 HAOHPDSDSLNLMB-UHFFFAOYSA-N 366.247 5.965 0 1 FKAF c1ccc([C@H]2c3ccccc3[C@@H]3CCN(CCCN4CCCCC4)C[C@H]23)cc1 39223530 BVOWTSXZGLAREC-RNXOBYDBSA-N 374.572 5.114 0 1 FKAF c1cc(-c2ccc(Cc3ccc(OC[C@@H]4CCCCN4)cc3)cc2)cs1 49112398 VKJPMFKJLHNVQX-QFIPXVFZSA-N 363.526 5.527 0 1 FKAF Cc1cccc(C)c1-c1cccc(CN(C)c2ccc(CCC(=O)O)cc2)c1 59861783 SUKYFRQIUSAPDC-UHFFFAOYSA-N 373.496 5.624 0 1 FKAF CC1(C)CC(=O)c2c(SCc3ccccc3)sc(-c3cc[nH]n3)c2C1 79601195 AWMMEMLUWGKDDE-UHFFFAOYSA-N 368.527 5.586 0 1 FKAF CC[C@H](C)Cn1c(CC(C)(C)C)nc2c(NCc3ccccc3)ncnc21 82178729 CPKSNAGFSJLMEL-INIZCTEOSA-N 365.525 5.073 0 1 FKAF CCCCCNc1ncnc2c1nc(-c1ccccc1)n2C[C@H](C)CC 82186143 WBSWCJMTHOVEBK-MRXNPFEDSA-N 351.498 5.142 0 1 FKAF COCCCCCC[C@@H]1C[C@@H]2[C@H](CC[C@@H]3[C@@H](O)CC[C@H]32)c2ccc(O)cc21 114564108 JVHGOQSVKBEOFZ-NEUWEJLWSA-N 372.549 5.357 0 1 FKAF CCc1oc2ccccc2c1-c1nc2c(C)c(Br)cnc2[nH]1 586903928 OHOKEUZSKDXDTF-UHFFFAOYSA-N 356.223 5.004 0 1 FKAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)s3)nc3ccc(O)c1c23 586994558 WGKIUSXBIRKRQD-UHFFFAOYSA-N 363.825 5.534 0 1 FKAF Cc1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2n1 587072284 QHKJERICPZOZDV-SILSCELHSA-N 372.299 5.939 0 1 FKAF CO[C@@H](c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107212 QSXJWEOBFKNTAY-DEOSSOPVSA-N 351.405 5.182 0 1 FKAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(F)c(F)c(F)c2[nH]1 587163399 PDERNKMCLQIPPY-UHFFFAOYSA-N 370.305 5.017 0 1 FKAF CCCc1c(-c2ccc(Br)c(C)c2)nc2cccc3c2c1CC3 587208347 QMJKKYJVNUBMJI-UHFFFAOYSA-N 366.302 6.024 0 1 FKAF CNc1cccc(-c2cccc(-c3nc4ccc5nc(C)ccc5c4[nH]3)c2)c1 587233452 PSDWFBWTJZVQKL-UHFFFAOYSA-N 364.452 5.795 0 1 FKAF CCCCCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354588 NUNHLGHSRJDEQG-UNMCSNQZSA-N 356.437 5.619 0 1 FKAF COc1cccc(-c2c(C)c(-c3cn[nH]c3)nc3c2oc2ccccc23)c1 587361931 AQYPTCWSPLDCCZ-UHFFFAOYSA-N 355.397 5.355 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccsc1)O2 587412073 GUCDYLFZCSVCGF-HXUWFJFHSA-N 369.873 5.201 0 1 FKAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1cc(F)ccc12 587504141 FZNUXZFBFGWMNJ-VWLOTQADSA-N 370.423 5.594 0 1 FKAF CCCC[C@@H](CC)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658567 OYUYAWWPPCYLSO-OAHLLOKOSA-N 366.436 5.059 0 1 FKAF CCCCC[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812803 KTGBQIMDLNWZPU-YJYMSZOUSA-N 370.350 5.944 0 1 FKAF C[C@H]1[C@H](c2ccccc2)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587818212 CRJWQJRLEGAJJE-XBMZAUBUSA-N 374.297 5.141 0 1 FKAF FC(F)(F)c1cccc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587958759 JJKNEVXXRKQFNO-UHFFFAOYSA-N 352.359 5.840 0 1 FKAF CC/C(=C\c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)c1ccc(C)cc1 587966006 FYRXIUFAXZFKHE-FBMGVBCBSA-N 366.464 6.053 0 1 FKAF CC/C(=C/c1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc(C)cc1 587967186 MCJYHILUDNVMRA-SDXDJHTJSA-N 354.453 6.614 0 1 FKAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(C3CCCCC3)cc2)N1 962962399 VIPUDLZFVDXYAL-HFZDXXHNSA-N 372.556 6.403 0 1 FKAF O=c1oc2ccccc2c(-c2ccc(O)cc2)c1Oc1ccc(Cl)cc1 1861376 YPGNQFNOZULWTR-UHFFFAOYSA-N 364.784 5.611 0 1 FKAF CC(C)c1ccc2oc(N[C@@H](CC3CCCCC3)c3ccccc3)nc2c1 13901590 LSJCKUNUTBUTBX-NRFANRHFSA-N 362.517 7.075 0 1 FKAF O=C(O)CCCCCCc1sccc1CCCCCc1ccccc1 26935909 UBFBWPBOXKTBSF-UHFFFAOYSA-N 358.547 6.281 0 1 FKAF Clc1ccc([C@H]2C[C@@H](NCc3ccccc3)c3ccccc32)cc1Cl 29485302 FVVRXOHRSYEMTM-DENIHFKCSA-N 368.307 6.360 0 1 FKAF CCCC(=O)OC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1 36463622 AWMUEPRBJHHPLK-YIEJCQFMSA-N 358.522 5.579 0 1 FKAF CC[C@@H]1C[C@@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@]4(C)[C@@H]3CC[C@@]2(C)[C@H]1/C(C)=N/O 43766974 GIIPSNRPRUJDDZ-DLWPBYCTSA-N 372.553 5.882 0 1 FKAF c1cnc2nc(Oc3ccc4cc(CN5CCCCC5)oc4c3)sc2c1 95596746 SHQARKWHJUQQBE-UHFFFAOYSA-N 365.458 5.216 0 1 FKAF COc1ccc(-c2oc3cccc(OC)c3c2C(=O)c2ccccc2)cc1 96922074 STVFDSJPUBCWOY-UHFFFAOYSA-N 358.393 5.348 0 1 FKAF CCCCC[C@@H](C)SC[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCC(=O)O 100999280 JPUVEYMMQIVSGF-SGBHNKSASA-N 368.583 5.683 0 1 FKAF Cc1ccc2c([C@H](NCc3ccccc3)c3ccccc3Cl)c(C)[nH]c2c1 103244880 AQLSREXSXCXYPP-XMMPIXPASA-N 374.915 6.317 0 1 FKAF COc1ccc(-c2nc3c4c(c5ccccc5c3[nH]2)OC(C)(C)CC4)cc1 141983332 MZLDASXWSCAWLN-UHFFFAOYSA-N 358.441 5.495 0 1 FKAF C[C@@H]1[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CC=C(c4cccnc4)[C@@]3(C)CC[C@@H]12 203686157 JSOBPDOKYJKCFC-JUZBCAHPSA-N 365.561 5.725 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Cl)cccc4[nH]3)c21 587032177 ZQRHUZCJUOOMAX-LBPRGKRZSA-N 367.905 6.175 0 1 FKAF COc1cc(/C=C/c2nc3ccc(O)cc3[nH]2)cc(Cl)c1OCC(C)C 587046028 CJUCHHLIVAKCCX-QPJJXVBHSA-N 372.852 5.136 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 587080717 OUZLDHSYESVUKY-CYBMUJFWSA-N 373.161 5.565 0 1 FKAF FC(F)(F)c1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 587084389 LIXVAHBWXOCHGU-UHFFFAOYSA-N 366.557 5.604 0 1 FKAF Cc1ccc2c(ccc3nc(-c4cc(F)c(C)cc4Br)[nH]c32)n1 587138201 ZYFBOYURALHMNF-UHFFFAOYSA-N 370.225 5.297 0 1 FKAF CC(C)(C)c1cccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 587159341 YZRUCNMABIHBHL-UHFFFAOYSA-N 372.443 6.146 0 1 FKAF O=C1c2ccccc2-c2cc(-c3cccc4ccsc34)nc3cccc1c23 587208309 PCYLPLFYCWPEFZ-UHFFFAOYSA-N 363.441 6.328 0 1 FKAF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2CC2)[C@H]1c1ccc(F)cc1 587358393 XSTCMXKMBLXHBG-LADGPHEKSA-N 374.411 5.196 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cc(Cl)ccc13)CC2=O 587462069 NCHQVQMTUOOBHK-IBGZPJMESA-N 355.821 5.186 0 1 FKAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1oc1ccccc13)CC2=O 587485267 UUWPYRYYPRULMK-JOCHJYFZSA-N 372.420 5.951 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC3CCCC3)c1)CC2=O 587488723 LOERNLBOEKZLDW-QFIPXVFZSA-N 366.457 5.373 0 1 FKAF Cc1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513411 SDDTXEHXBWZDCT-HSZRJFAPSA-N 357.453 5.371 0 1 FKAF CCCOc1ccc(C)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525885 VVZXNEIGDGYLKF-JOCHJYFZSA-N 350.458 5.369 0 1 FKAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl 587544133 LWPQUBFUDSLKKU-WIYYLYMNSA-N 366.800 5.057 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(C(C)C)c2c1 587643921 YQTUVCUXVHDOIQ-CQSZACIVSA-N 359.435 7.491 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(F)c2)N1 587726562 XQYDVHGHWBIIAV-BCTVWOGZSA-N 372.640 5.004 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C3CCCC3)C2)N1 587819674 WMFCIKHMSPDABI-KPAZRMRSSA-N 366.318 5.308 0 1 FKAF C[C@H]1[C@@H](c2ccccc2)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587822119 IROJHRWOYIBZPK-AFTNEDFKSA-N 374.297 5.141 0 1 FKAF COc1ccc(-c2cccc(-c3nc4c(C)ccc(C)c4[nH]3)c2C)c(OC)c1 587930287 SIBKWBLSJCEHRQ-UHFFFAOYSA-N 372.468 5.839 0 1 FKAF CC(C)COc1cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2cc1Br 587967768 RVLPVOQVILWYIL-YNEHKIRRSA-N 361.283 5.040 0 1 FKAF FC(F)(F)Oc1ccc(-c2cn([C@H]3CCCCc4ccccc43)nn2)cc1 1857599564 XRSHDFAWKYFMMY-IBGZPJMESA-N 373.378 5.160 0 1 FKAF O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1F 1857617497 OQNGHEVWUBCJMX-QHCPKHFHSA-N 370.427 5.095 0 1 FKAF CCCCn1c2ccccc2c2cc(C=O)nc(-c3ccc(Cl)cc3)c21 1857641756 ZQLLLKFHHZIHDZ-UHFFFAOYSA-N 362.860 6.123 0 1 FKAF Fc1ccc(Nc2nc(NCc3cccs3)nc3ccsc23)cc1 61895833 XIRLRTFCKVPWKL-UHFFFAOYSA-N 356.451 5.248 0 3 FKAF Cc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2sccc2n1 584758 FTZCQVACADOUBP-UHFFFAOYSA-N 364.449 5.650 0 1 FKAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCCC 4213796 QLTXZZHSWNEIAT-NHCUHLMSSA-N 374.525 5.016 0 1 FKAF Cc1nc2cc(C(C)C)c(-c3ccc(Cl)c(OC(C)C)c3)cc2c(=O)[nH]1 13679458 RVJKMGDFPIJABO-UHFFFAOYSA-N 370.880 5.463 0 1 FKAF CCCC[C@@H](Cc1ccc(OC)c(OCCc2ccccc2)c1)NCCC 13801119 LHWOHGLWUXQYSV-QFIPXVFZSA-N 369.549 5.418 0 1 FKAF Cc1cccc(-c2cnc(Nc3ccc4c(-c5cnco5)c[nH]c4c3)o2)c1 13819533 FGYBMPDTIWWNNI-UHFFFAOYSA-N 356.385 5.530 0 1 FKAF O=C(Nc1cccc(-c2nc(-c3cccc(Cl)c3)cs2)c1)C1CC1 16941128 BYXXTDFOJYEKQJ-UHFFFAOYSA-N 354.862 5.479 0 1 FKAF C/C(=C\c1ccc(C(=O)O)s1)c1ccc2c(c1)C(C)(C)CCC2(C)C 26653776 DDMSNOUDIPYYBN-WYMLVPIESA-N 354.515 6.356 0 1 FKAF c1ccc(Cc2nc(-c3ccccc3)cn3cc(-c4ccccc4)nc23)cc1 27855190 GRAAEWCAOYIXQX-UHFFFAOYSA-N 361.448 5.654 0 1 FKAF O=C(Cc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21 28826857 IIBSAKGKZGFYNB-UHFFFAOYSA-N 367.473 6.212 0 1 FKAF c1ccc(CNCCCCCCCCCCNCc2ccccc2)cc1 34091676 HMJJCVZBDBFFGW-UHFFFAOYSA-N 352.566 5.687 0 1 FKAF Fc1ccc2[nH]c3c(c2c1)CCN(CCCCc1ccnc2ccccc12)C3 36093032 AEBCLIZNJBUUSQ-UHFFFAOYSA-N 373.475 5.236 0 1 FKAF CCO[C@@H](c1ccc(Cl)cc1)[C@@H](SC(C)(C)C)n1ccnc1C 45366173 CGMPVPXRJZJNIB-DLBZAZTESA-N 352.931 5.653 0 1 FKAF CCCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C(C)C 45371880 XJVMUDHCGJXMHI-UHFFFAOYSA-N 364.489 5.557 0 1 FKAF Cc1cc(/C=C/c2ccc(C(=O)Sc3ccccc3)cc2)cc(C)c1O 58563700 DCHJILKLHYMSEL-CMDGGOBGSA-N 360.478 6.112 0 1 FKAF CCN(CC)c1ccc(-c2cn3c(n2)sc2cc(OC)ccc23)cc1 66099287 AYZWJKLKXXTOJO-UHFFFAOYSA-N 351.475 5.071 0 1 FKAF CCCCCn1c(CCC)nc2c(NCc3cccc(Cl)c3)ncnc21 82181360 PNUXLQAVELGGMD-UHFFFAOYSA-N 371.916 5.235 0 1 FKAF Oc1cccc(-c2cc(-c3ccncc3)nc(-c3cccc(Cl)c3)c2)c1 95555173 IXRADMQDIWFWSQ-UHFFFAOYSA-N 358.828 5.837 0 1 FKAF CCn1cc/c(=N\c2ccc(Oc3ccccc3)cc2)c2ccc(Cl)cc21 96909071 DMXKBYJYOUUBBV-YYDJUVGSSA-N 374.871 6.339 0 1 FKAF C[C@H]1[C@H]2Cc3ccc(N(C)Cc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 100844501 OHQXZYAOUKKRAK-YZYNAAERSA-N 374.572 5.257 0 1 FKAF c1ccc(Oc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 103290117 KJMLHOFTJOIKHI-UHFFFAOYSA-N 374.548 7.060 0 1 FKAF CC(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 136042534 BKWBRNDZAJHCMT-LMLIWZCBSA-N 370.621 6.775 0 1 FKAF c1ccc(CNc2nccnc2Oc2ccc(Nc3ccccn3)cc2)cc1 139164093 CYWURXTWYFEFPK-UHFFFAOYSA-N 369.428 5.020 0 1 FKAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1C=C[C@@]2(O)c1ccccc1 253634543 PRCGTYKZJAVITA-UUFXTFJOSA-N 360.497 5.215 0 1 FKAF CCOC(=O)c1sc(Nc2ccc(C)c(C)c2)nc1-c1ccccc1 299871599 YULBNUVCGBOOJJ-UHFFFAOYSA-N 352.459 5.347 0 1 FKAF Cc1ccc(SCc2nc3cc(Br)c(F)cc3[nH]2)c(C)c1 586963325 HNZAAZCTCSKWAM-UHFFFAOYSA-N 365.271 5.374 0 1 FKAF Cc1ccnc2[nH]c([C@H](Cc3cccc(Br)c3)CC(C)C)nc12 586981397 BFAUYYPSPMSMGH-HNNXBMFYSA-N 372.310 5.401 0 1 FKAF Cc1ccc2c3c(cc(-c4cccc(F)c4Cl)nc13)-c1ccccc1C2=O 586996755 SEGHAHRUXFIROF-UHFFFAOYSA-N 373.814 6.214 0 1 FKAF CC(=O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064201 DZNWAPOZVKZTLE-UHFFFAOYSA-N 366.804 5.258 0 1 FKAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccnc(Cl)c4[nH]3)c2)cc1 587067803 PZDHUJNFVAIBKO-UHFFFAOYSA-N 370.239 5.091 0 1 FKAF Fc1ccc(-c2ccccc2-c2nc3cc(Cl)cc(F)c3[nH]2)cc1F 587145556 MKXDCDCBBWCWQQ-UHFFFAOYSA-N 358.750 5.968 0 1 FKAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 587157524 ASYDYJLMLKOSSB-UHFFFAOYSA-N 369.758 5.036 0 1 FKAF CCc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1O 587207851 XPAJUYSWFFXOAK-UHFFFAOYSA-N 351.405 5.381 0 1 FKAF CC(C)=CCC/C(C)=C/CC/C(C)=C\CCc1cc2c3c(cccc3n1)CC2 587212483 AYORMXQIVNZSBA-MPDWDJFRSA-N 373.584 7.685 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1F)([C@@H]1C[C@H]3CC[C@H]1C3)O2 587385440 OBZMHXMJJDFKPU-GRDTXPOLSA-N 365.448 5.013 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](Cc1ccc(F)cc1)(C(C)C)CC2=O 587469206 XZTCNEBUUIRMKK-JOCHJYFZSA-N 356.437 5.087 0 1 FKAF Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587497005 DJHYLANFUBBYHE-SFHVURJKSA-N 372.896 5.086 0 1 FKAF CN(C)c1ccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 587513821 ULZXGNIOIDATSH-DEOSSOPVSA-N 371.480 5.491 0 1 FKAF CC(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1cccnc1 587628100 OAAKNDJUOVPKPH-UHFFFAOYSA-N 372.312 6.391 0 1 FKAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CN1CCCCC1 587628736 YXAHDNHIORRWFP-UHFFFAOYSA-N 364.333 5.500 0 1 FKAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)cc1 587629938 OHLNGKLMSOWMCI-UHFFFAOYSA-N 355.718 5.519 0 1 FKAF O=C(O)c1cccc2c(C(F)(F)F)c(-c3ccc(Cl)c(Cl)c3)[nH]c12 587637202 DLSWDVCZASIBAB-UHFFFAOYSA-N 374.145 5.859 0 1 FKAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c([C@](C)(O)C(F)(F)F)c2c1 587641285 MECPMQVURQPXQT-RTHLEPHNSA-N 353.306 5.470 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2CCCCC2)(C2CC2)N1 587814297 GSXSCNLQMKUKJA-HXPMCKFVSA-N 366.318 5.308 0 1 FKAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc2ccccc12 587862560 CDLIPIKCRQHFRR-UHFFFAOYSA-N 369.346 5.115 0 1 FKAF CCCC/C=C\c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 587964634 ANQOURBYMBTUNN-XFXZXTDPSA-N 367.424 5.436 0 1 FKAF Cc1c(F)ccc2c1[C@@H](c1sc(-c3ccccc3)nc1Cl)NCC2 962375720 PCHMDZKCVRATEI-INIZCTEOSA-N 358.869 5.146 0 1 FKAF CCCC[C@]1(c2ccc(Cl)cc2)c2c(F)cccc2C[C@H]2CCCN21 963119862 ZVEIRBFSOBYUFZ-KNQAVFIVSA-N 357.900 5.933 0 1 FKAF CCCN1[C@H](c2cccc(OC)c2O[C@H](C)CC)c2ccccc2C[C@H]1C 963226818 HYCJODRSDZBAAT-PNCHPQGNSA-N 367.533 5.619 0 1 FKAF Cc1c(-c2ccc(N3CCC[C@H](C)C3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772578478 RNMJDESKYCFJRV-ZDUSSCGKSA-N 368.427 5.018 0 1 FKAF CCCC[C@@H]1[C@H](C(=O)CC)[C@H](c2ccccc2)CCN1C(=O)OC(C)(C)C 1857616495 NFEFTKKLHVHLBP-QKNQBKEWSA-N 373.537 5.565 0 1 FKAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]3C=CN(CC(=O)O)C=C3CC[C@@H]12 2356784678 PQUGGJDNPWLFES-GWWNCLRWSA-N 357.538 5.443 0 1 FKAF Fc1ccc(Nc2ncnc3ccc(NC4CCCCC4)cc23)cc1Cl 2382223859 JTTGUPZLZZFQMB-UHFFFAOYSA-N 370.859 5.911 0 1 FKAF CCCC(=O)c1cnc2c(C(=O)OC)cccc2c1Nc1ccccc1C 603943 WABJVWVNEPAILL-UHFFFAOYSA-N 362.429 5.056 0 1 FKAF COc1ccc2nc3oc(C(=O)Nc4ccc(F)cc4Cl)cc3cc2c1 6744760 NZULIBKVJNVILQ-UHFFFAOYSA-N 370.767 5.034 0 1 FKAF CCCc1cc2c(cc1O)C(C)(C)[C@@H](CCc1ccc(SC)cc1)O2 13453242 KLWDLCJHGGIUGF-OAQYLSRUSA-N 356.531 5.738 0 1 FKAF CC(C)c1ccc(O[C@](C)(Cc2ccc(C(C)(C)C)cc2)C(=O)O)cc1 13604814 MADXCKGWQPBQBL-HSZRJFAPSA-N 354.490 5.572 0 1 FKAF CC(C)=CCc1c(O)c(C(=O)c2ccccc2)c(O)c2c1OC(C)(C)C=C2 14883284 SPMYLENUNIKPSS-UHFFFAOYSA-N 364.441 5.022 0 1 FKAF biogenic COc1ccc2c(c1)[C@@]13CC[C@H](C)[C@H](C)[C@H]1[C@@H](C2)N(CC1CCC1)CC3 26670422 URDKDABBNGKIDR-LDEQJEGGSA-N 353.550 5.046 0 1 FKAF CCCCCC(CCCCC)c1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1 27106399 FAJKZAIMTCYING-UHFFFAOYSA-N 374.572 7.988 0 1 FKAF in-vivo CN(C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(C)(C)C 28826664 SGIYWTLEJMUMKQ-UHFFFAOYSA-N 368.355 5.122 0 1 FKAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@@]21C 33820835 MBRXVOBWAQSXOY-HGZXIFPPSA-N 358.566 6.456 0 1 FKAF in-vitro CCCc1cc2c(s1)CN(C)C[C@H]2c1ccc(Br)cc1 38157571 MEBGJFJGTRYFQQ-INIZCTEOSA-N 350.325 5.040 0 1 FKAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2cc[nH]c12 38410988 GXTDSKILHSBKND-UHFFFAOYSA-N 353.731 5.484 0 1 FKAF CCC[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1 72118604 XIPRZUFFOPXCNV-HNNXBMFYSA-N 365.374 5.042 0 1 FKAF O=C(C[C@H](Sc1ccccc1)c1ccccc1)c1cccc(Cl)c1 72139886 WKPDSRKWEVUYIR-NRFANRHFSA-N 352.886 6.446 0 1 FKAF Fc1cccc(COc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1 73169025 QWAHCSOEUYGXDS-UHFFFAOYSA-N 368.799 5.073 0 1 FKAF COc1ccc2c(c1)C(CC(=O)O)=C/C2=C\c1ccc(-c2ccccc2)cc1 84652724 ISNIXDHESIIOBL-DEDYPNTBSA-N 368.432 5.775 0 1 FKAF COc1cc(C)c(O)c2c1C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O2 95588639 MYIDCWYCVAPNOL-XMQQHFNTSA-N 356.506 6.346 0 1 FKAF Clc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2)CC1 96910036 BXJORGABSLLRAD-UHFFFAOYSA-N 362.904 5.329 0 1 FKAF O=c1c2ccccc2oc2c(Cc3ccc(O)cc3)[nH]c(-c3cccs3)c12 98208089 GPIHPADNHDARBD-UHFFFAOYSA-N 373.433 5.299 0 1 FKAF in-vitro CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)c1 103247892 BSUVWPUSJVKBDS-UHFFFAOYSA-N 367.880 6.072 0 1 FKAF CCC[C@H](Nc1cncc(-c2ccc(CN(C)C)cc2)n1)c1ccccc1 137270597 DJUACURCMSSRHL-NRFANRHFSA-N 360.505 5.159 0 1 FKAF CCc1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1Br 586977294 KKWHLIHVBOUZAY-UHFFFAOYSA-N 371.065 5.257 0 1 FKAF Cc1nc(-c2ccccc2)sc1Cc1nc2cccc(C(C)(C)C)c2[nH]1 587010693 AGGHQAPQFZDEHS-UHFFFAOYSA-N 361.514 5.883 0 1 FKAF CCc1cc(OCc2nc3cccc(C(F)(F)F)c3[nH]2)ccc1Cl 587052476 BVMCBEDGKJPWHQ-UHFFFAOYSA-N 354.759 5.377 0 1 FKAF Clc1cccc(/C=C/c2nc3cc4c(cc3[nH]2)OCCCO4)c1Cl 587054249 NNJDOFFJZMMGJM-AATRIKPKSA-N 361.228 5.201 0 1 FKAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587069377 IZKIQWZVTUZQJQ-ZETCQYMHSA-N 370.733 5.149 0 1 FKAF COc1cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2cc1F 587145787 QRQYQHNKHMIBDT-UHFFFAOYSA-N 354.331 5.323 0 1 FKAF Oc1cccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587159023 LBMIBZDQLDETHR-LJQANCHMSA-N 368.795 5.229 0 1 FKAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(F)cc(F)c3[nH]2)c1 587195174 CKWGHAHNSKBPMZ-UHFFFAOYSA-N 373.403 5.188 0 1 FKAF c1coc(CNCc2ccc(-c3nc4cc5ccccc5cc4[nH]3)cc2)c1 587232694 ZUJKCNAFYGCIDB-UHFFFAOYSA-N 353.425 5.266 0 1 FKAF COc1cccc(-c2c(CC(F)(F)F)cnc3c2oc2ccccc23)c1 587359988 JTPQKAAYGMZJSR-UHFFFAOYSA-N 357.331 5.761 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(Cl)c3)s1)O2 587411718 UWUSQKWIOCVPBK-QGZVFWFLSA-N 369.873 5.666 0 1 FKAF O=C1C[C@@H](c2ccc(Cl)c3cccnc23)Oc2c1ccc1c2CCCC1 587499184 LNQPWLYFWAGKLO-FQEVSTJZSA-N 363.844 5.474 0 1 FKAF Cc1ccccc1-c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587526110 QXYWTBPIUBOCNF-VWLOTQADSA-N 368.476 6.247 0 1 FKAF CCc1[nH]c2ccc(F)c(Cl)c2c1-c1ccccc1Br 587628076 HGHQLXYVCVWTSJ-UHFFFAOYSA-N 352.634 5.952 0 1 FKAF CC[C@@H](C)c1ccc2[nH]c(-c3c[nH]c4ccccc34)c(C(F)(F)F)c2c1 587640760 JCOYBCQRZYYNFQ-GFCCVEGCSA-N 356.391 6.849 0 1 FKAF Cc1ccc(-c2csc(COc3ccc(C(C)(C)C)cc3)n2)cc1C 587921404 XWYZNVFLPBTZQW-UHFFFAOYSA-N 351.515 6.303 0 1 FKAF COc1ccc(-c2cccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2)cc1 587934971 JPRXOWXWBFJIBP-UHFFFAOYSA-N 354.453 5.784 0 1 FKAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C1 587969612 QWVVGZUVQHSKHO-NXEZZACHSA-N 361.358 5.542 0 1 FKAF Cc1nc(N[C@H](C)c2ccccc2F)cc(-c2ccc3occ(C)c3c2)n1 653749327 DMBWSCXMNLHQOD-CQSZACIVSA-N 361.420 5.819 0 1 FKAF CCC(C)(C)[C@@]1(c2ccc(C)cc2C)c2c(F)cccc2C[C@H]2CCCN21 963097911 OBNCTKHZPQGMBX-CJFMBICVSA-N 365.536 6.143 0 1 FKAF O=C(Nc1ccc2sc(-c3ccccc3F)nc2c1)N1CCCCC1 1772607771 INVOKYZOXSMCJI-UHFFFAOYSA-N 355.438 5.120 0 1 FKAF C/C(=C\c1ccc(-c2ccccc2)cc1)CN(C)Cc1coc2ccccc12 1772635531 CTGSENRCNWPXBV-CAPFRKAQSA-N 367.492 6.635 0 1 FKAF Clc1ccc2[nH]cc(-c3nn4cc(-c5ccccc5)nc4s3)c2c1 1857602305 XXNLCNADCZVRIS-UHFFFAOYSA-N 350.834 5.260 0 1 FKAF CC(=CCc1cc(C(=O)O)ccc1O)CC[C@]1(C)[C@@H](C)CCC(=O)[C@H]1C 2356462579 XTHUWDOULQJWNT-WJONJSRFSA-N 358.478 5.001 0 1 FKAF O=C(O)CCCCCCCCCCC=CC[C@@H](O)C=C=CBr 2356477303 RBYYPRIJRZKHRI-RGUGMKFQSA-N 373.331 5.343 0 1 FKAF CC(=O)O[C@H](C=C(C)CC=CC(C)=CCCc1ccoc1)Cc1ccoc1 2356552514 SQBWRPUXDPULSZ-HSZRJFAPSA-N 368.473 5.819 0 1 FKAF Fc1ccc(-c2[nH]cc(C3=C[C@H]4CCCN4CC3)c2-c2ccncc2)cc1 1493739 KVBWUPVGVUIAIX-HXUWFJFHSA-N 359.448 5.134 0 1 FKAF O=P(Oc1ccccc1)(Oc1ccccc1)Oc1c[nH]c2ccccc12 1662801 JXMDQSPEXGIMNW-UHFFFAOYSA-N 365.325 5.813 0 1 FKAF CCCCCc1c(C(=O)O)c(O)cc2oc3cc(OC)cc(CCC)c3c12 13453923 IDZVZCQOFFSQMO-UHFFFAOYSA-N 370.445 5.684 0 1 FKAF biogenic Oc1ccc(-c2nn(Cc3ccccc3)c3cc(Cl)c(F)cc23)cc1 13586332 ZNKJDTVCVULPNH-UHFFFAOYSA-N 352.796 5.250 0 1 FKAF C/C(=C/c1ccc2ccc(Cl)cc2n1)c1cccc(O[C@H](C)C(=O)O)c1 13727993 OBKYYCSRBOOXHT-QLKUMGTLSA-N 367.832 5.301 0 1 FKAF CC(=O)OC1=C(c2ccc3ccccc3c2)Oc2ccccc2-n2cccc21 13757576 HKUFTSVTBYJGHT-UHFFFAOYSA-N 367.404 5.412 0 1 FKAF COc1ccc([C@@H]2CCc3c(cc(OC)c(CC=C(C)C)c3OC)O2)cc1 14819224 KWFJDXBDAVAWJZ-FQEVSTJZSA-N 368.473 5.287 0 1 FKAF biogenic CC(/C=C/[C@H]1C[C@@]1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C\C(=O)O 26279480 HMDVFKHLXNHBGR-MGNFOHRSSA-N 366.545 6.209 0 1 FKAF COc1ccc([C@@H]2[C@H](CCc3ccccc3)OC(=O)N2c2ccccc2)cc1 26739194 CWYXPRJLCVJZFD-XZOQPEGZSA-N 373.452 5.395 0 1 FKAF CCN(CC)CCS[C@@H]1Cc2ccccc2Oc2ccc(Cl)cc21 27556028 FLQUPVMFDKZWRY-HXUWFJFHSA-N 361.938 5.805 0 1 FKAF COc1cccc2c1-c1ccc3c(c1[C@@H]([C@@H]1C=CCC1)O2)C(C)=CC(C)(C)N3 29409626 BDZQBRNZPXXVRN-VOIUYBSRSA-N 373.496 6.369 0 1 FKAF Cc1ccc(OCc2nnc(-c3cc(F)c(Cl)cc3Cl)o2)cc1 40866184 VPNCCEWQHOEKBK-UHFFFAOYSA-N 353.180 5.070 0 1 FKAF CC(C)(C)OC(=O)Nc1ccc(-c2ccc(Cc3ccncc3)cc2)cc1 58568460 AEUAONZGDPXIKM-UHFFFAOYSA-N 360.457 5.686 0 1 FKAF Clc1ccc(Nc2nccc(Nc3ccc4c(c3)CCC4)n2)cc1Cl 64504152 IQAIOVQPSBHRDO-UHFFFAOYSA-N 371.271 5.759 0 1 FKAF CC(=O)Oc1cccc2ccc(/C=C/c3cccc(Br)c3)cc12 72181637 PARWIEMDAUEPMH-CMDGGOBGSA-N 367.242 5.698 0 1 FKAF CCCCCn1c(-c2ccoc2)nc2c(NC3CCCCCC3)ncnc21 82190644 UERJNKQBHKJWHW-UHFFFAOYSA-N 367.497 5.411 0 1 FKAF O=C(Nc1ccccc1)N1CCc2sccc2[C@H]1c1ccc(F)cc1 84759431 COZAUGRKNQCDCG-LJQANCHMSA-N 352.434 5.067 0 1 FKAF CC[C@@H](COc1cc(Cl)ccc1Cl)OC(=O)NCc1ccccc1 103192440 JHJVWDQYBAPXAQ-HNNXBMFYSA-N 368.260 5.077 0 1 FKAF CC(=O)OCC[C@@H](C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)C(C(=O)O)=CCC[C@@H]21 136889520 HKAHDRQYQYSVMM-ZSWJKXSBSA-N 364.526 5.219 0 1 FKAF O[C@H](CCCN1[C@@H]2CC[C@@H]1CC(c1ccccc1)C2)c1ccc(F)cc1 139420997 MMDFRNFDFSNOJN-DNVJHFABSA-N 353.481 5.050 0 1 FKAF Cc1cccc2c1/N=C\c1ccccc1/C=N/c1c(C)cccc1OCCO2 169299824 HONVXEQPFLWISU-WFOJNGAISA-N 370.452 5.576 0 1 FKAF CCCCC[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@H]1CCCC(=O)O 253634882 VOEQWJRVRYMVGK-XVDXISBDSA-N 360.582 6.536 0 1 FKAF Brc1ccc2oc(-c3cc[n+](Cc4ccccc4)cc3)cc2c1 299844531 DEGIOVRNCQKKDN-UHFFFAOYSA-N 365.250 5.198 0 1 FKAF FC(F)(F)c1cc(Cl)c2[nH]c(-c3csc4c3CCOC4)nc2c1 587031248 CJHVJKISXPJCDJ-UHFFFAOYSA-N 358.772 5.036 0 1 FKAF Cc1ccc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2c1C 587047295 FHZFMHRPCXLOSY-UHFFFAOYSA-N 367.279 6.821 0 1 FKAF FC(F)(F)c1cccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587052216 YPQCVWQCQPZKAF-RKDXNWHRSA-N 371.189 6.160 0 1 FKAF CC(C)Oc1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068260 NVNYUZIEHZTSNI-UHFFFAOYSA-N 352.825 5.061 0 1 FKAF Cc1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(F)c1 587146486 NJYNXUFOVPWMGB-UHFFFAOYSA-N 359.429 5.954 0 1 FKAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2CCCF)[C@H]1c1ccc(F)cc1 587328282 BMXQEJZYHKOFCI-PDXHDDNESA-N 372.411 5.179 0 1 FKAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]3CC(C)C)c1 587365138 FFANPYMWDJILFP-QGZVFWFLSA-N 371.480 6.733 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(/C=C/c4ccccc4)cc1)[C@@H](C2)C3=O 587445748 OAZKYLMEBDCJCR-OSUDOFKYSA-N 368.432 5.354 0 1 FKAF CCCCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 587482271 NHKVUYUTKCUHEZ-NRFANRHFSA-N 354.446 5.230 0 1 FKAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)ccc1OCC1CC1)CC2=O 587484277 ZPLFYQDOGCXTRY-QFIPXVFZSA-N 366.457 5.148 0 1 FKAF O=C1C[C@@H](c2cc(-c3cccnc3)ccc2O)Oc2c1ccc1c2CCCC1 587516362 WKQQKURSJWQBHD-QHCPKHFHSA-N 371.436 5.040 0 1 FKAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 587616684 LYNWKQYCTAIUAA-XXBNENTESA-N 372.376 5.150 0 1 FKAF CCOC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cc(F)ccc12 587633857 LZHQPXZGFKGQRA-UHFFFAOYSA-N 351.299 5.170 0 1 FKAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2Cl)N1 587731421 LVEXAECHMUVYRL-VPTHRUTESA-N 372.640 5.004 0 1 FKAF Cc1cc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2[nH]1 587801962 IZYVJDRQQFVLGJ-WYRIXSBYSA-N 373.269 5.002 0 1 FKAF CC[C@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814622 UZZPRIVUWADWHV-ORAYPTAESA-N 362.286 5.084 0 1 FKAF C[C@H]1C[C@H](C)CN(CCCCC(=O)n2c3ccccc3c3ccccc32)C1 653687475 RECOEEREFSFUIN-OALUTQOASA-N 362.517 5.583 0 1 FKAF Clc1ccc(Oc2nc3ccccc3nc2C(Cl)(Cl)Cl)cc1 1772612609 KGHJEWSUQUJRTQ-UHFFFAOYSA-N 374.054 5.902 0 1 FKAF COc1c2occc2c(OCC=C(C)CCC=C(C)C)c2ccc(=O)oc12 2356398257 OQHQALGVQDTJDN-UHFFFAOYSA-N 368.429 5.619 0 1 FKAF CC1=C2C[C@]3(C(=O)O)CC[C@H](C(C)C)[C@@H]3C[C@@H]2[C@]23CC[C@H](C)[C@@H]2CC[C@]13C 2356704558 XXBPHKHKRDOYCF-WXIDMMJOSA-N 370.577 6.312 0 1 FKAF CC(C)Cc1ccc([C@H](C)C(=O)NCc2ccc(Cl)c(Cl)c2)cc1 2382239328 IPIXYYNFWIBWRE-AWEZNQCLSA-N 364.316 5.612 0 1 FKAF Cc1cc2nc(C(C)(C)C)c(Cc3ccccc3)n2c(C)c1Br 72121336 LEOYCTRNBJUPKV-UHFFFAOYSA-N 371.322 5.602 0 3 FKAF CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(CC(F)(F)F)c3c2C1 13738699 LKUMKJQSYINUSG-INIZCTEOSA-N 352.444 5.252 0 1 FKAF c1csc(C2(c3cccs3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)c1 26648591 LLQIOVDBZFGPAS-KNQAVFIVSA-N 372.538 5.522 0 1 FKAF Clc1ccccc1CCC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1 28114266 UWISIWUQNXSVKZ-ZRZAMGCNSA-N 360.888 5.757 0 1 FKAF N=C(CCCCCCCCCCCCC(=N)N1CCCC1)N1CCCC1 28865443 JGYAUYVIZSGQNS-UHFFFAOYSA-N 362.606 5.814 0 1 FKAF O=C1C[C@H](c2ccc(F)cc2)c2c(ccc3cc(Br)ccc23)O1 29136182 MFBNNSUDQGYIGG-MRXNPFEDSA-N 371.205 5.182 0 1 FKAF Cc1ncc2c(n1)-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 29343174 MCUPNPQIJUEVRX-UHFFFAOYSA-N 354.240 5.110 0 1 FKAF CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H]1CC(=O)C[C@H](CC(=O)O)C1 40505868 VBWHTIYEOJJJIV-ALKVXQKSSA-N 358.522 6.032 0 1 FKAF Clc1cccc(-c2cc(-c3ccc(Cl)o3)cc(-c3cccs3)n2)c1 45335515 UNGFFLWUEUVULI-UHFFFAOYSA-N 372.276 7.044 0 1 FKAF CC(C)CCN(CCC(C)C)C(=S)NC12CC3CC(CC(C3)C1)C2 68572256 ZFBNOCOAEVTPIK-UHFFFAOYSA-N 350.616 5.224 0 1 FKAF biogenic Fc1ccccc1Oc1cc(NCc2ccccc2C(F)(F)F)ncn1 82067362 YUPDYNSKPGMFOM-UHFFFAOYSA-N 363.314 5.039 0 1 FKAF Cc1ccccc1CNc1cc(Oc2ccc(-c3ccccc3)cc2)ncn1 82068398 VTUCZYNMHSKGIG-UHFFFAOYSA-N 367.452 5.856 0 1 FKAF c1cc([C@H]2CC[C@H](N3CCCC3)CC2)ccc1OCCCN1CCCCC1 101437343 IIGOTHGDDVVXRO-DKXQDJALSA-N 370.581 5.063 0 1 FKAF CCCCC[C@H](O)c1ccc([C@H]2CCC=C2CCCCCCC(=O)O)cc1 144581828 XJYSOJJOKMRHGS-GOTSBHOMSA-N 372.549 6.529 0 1 FKAF FC(F)(F)c1ccc(NC[C@H]2CCc3ccc4ccccc4c3O2)cc1 169333246 ZQDNPHMQILFORH-GOSISDBHSA-N 357.375 5.664 0 1 FKAF C[C@H](SCc1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1 586962013 AEVMZUBLPLHNHQ-JTQLQIEISA-N 365.271 5.459 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc3c(cc2[nH]1)OCO3 587013798 CHQODONNCRBKBJ-UHFFFAOYSA-N 369.833 5.044 0 1 FKAF Fc1cc(Cl)cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587017220 IETWWWYVAUCOQX-UHFFFAOYSA-N 371.824 5.081 0 1 FKAF COc1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc(Cl)c1O 587045865 HNTXWIDJVUWVHV-UHFFFAOYSA-N 374.771 5.209 0 1 FKAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 587075875 NVFPJGQCICJYMI-UHFFFAOYSA-N 364.880 5.675 0 1 FKAF Cc1cc(Cl)cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c12 587076610 XRAALLIRDDYXNE-UHFFFAOYSA-N 357.244 5.339 0 1 FKAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(F)ccc1CC3 587103467 HKBCWWZJTUHGHN-UHFFFAOYSA-N 351.380 5.351 0 1 FKAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Cl)ncc3[nH]2)cc1F 587148569 CIHUQQNIJSMTNN-SFHVURJKSA-N 371.774 5.058 0 1 FKAF Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1F 587153361 YXLOEVSDSUPKSG-MNOVXSKESA-N 354.278 5.011 0 1 FKAF COc1cccc(-c2cc(F)cc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c2)c1 587160444 RVGBKNSCHXTFGR-UHFFFAOYSA-N 374.459 6.342 0 1 FKAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc4ncccc4c3[nH]2)c1 587241441 CJLBLDBJNLVECY-UHFFFAOYSA-N 358.445 5.153 0 1 FKAF Cc1ccc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587398570 FNFSDSYHUGCKSH-HSZRJFAPSA-N 373.452 5.171 0 1 FKAF COc1ccc(-c2ccccc2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403570 OOPPQDXXFQKHRF-XMMPIXPASA-N 373.452 5.133 0 1 FKAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Cc3ccccc3)cc1)O2 587406169 QIBVZCZKYUSEKD-DEOSSOPVSA-N 357.453 5.049 0 1 FKAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Cl)cc4)o1)[C@@H](C2)C3=O 587420128 HFTKWAZNKFOLNC-BTYIYWSLSA-N 366.800 5.097 0 1 FKAF O=C1CC2(CC(c3cccc(Cl)c3)C2)Oc2c1ccc1c2CCCC1 587498275 DUFISYXJPOAKIN-UHFFFAOYSA-N 352.861 5.500 0 1 FKAF O=C1C[C@@H](c2c(F)cc(F)c(Cl)c2F)Oc2c1ccc1c2CCCC1 587502641 FVZIQVLFUNVVLZ-HNNXBMFYSA-N 366.766 5.343 0 1 FKAF CCc1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511858 JUTIBMLLZJLPMN-XMMPIXPASA-N 371.480 5.625 0 1 FKAF CC(C)(C)[C@]1(c2ccsc2N)CC(=O)c2ccc3c(c2O1)CCCC3 587529776 BSQIMHBVBJSNRY-OAQYLSRUSA-N 355.503 5.116 0 1 FKAF Cc1ccccc1[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813462 DALNHJQNPSJLPB-RBZFPXEDSA-N 374.297 5.084 0 1 FKAF Cc1ccc2c(c1)[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587816893 FLZBQUPLRQCMQA-XCLFUZPHSA-N 374.297 5.011 0 1 FKAF CC1=C([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)CC=C1 587824175 VBGOJQSJMPBMNR-KPZWWZAWSA-N 364.302 5.466 0 1 FKAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2coc3ccccc23)N1 587828412 NHLFFJTUCWOSMH-JEOXALJRSA-N 374.253 5.132 0 1 FKAF CC(C)(C)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2n1 587954888 BZOQOWMGEFBFDH-IBGZPJMESA-N 355.485 5.630 0 1 FKAF Cc1ccc(CCC[C@@H]2NCCc3cccc(-c4ccccc4)c32)cc1C 962659041 AFONPPIYSVRTPR-VWLOTQADSA-N 355.525 6.180 0 1 FKAF CC12CCCC(C(=O)Nc3nc4cc(F)cc(F)c4s3)(CCC1)C2 1857773850 NSDXNZGBENRCOO-UHFFFAOYSA-N 350.434 5.264 0 1 FKAF CC(C)=C1CC[C@H](C)[C@](C)(Cc2c[nH]c3ccccc23)[C@H]1CCC(=O)O 14718225 GVPCTDRGYRLXLX-GRWTVWFQSA-N 353.506 5.964 0 1 FKAF biogenic Cc1cccc([C@@H](c2ccccc2)N2CCC(O)(c3ccccc3)CC2)c1 28708178 ODFDCTDNLNJAAY-XMMPIXPASA-N 357.497 5.068 0 1 FKAF in-vivo O=C1/C(=C\c2ccnc3ccccc23)c2ccccc2N1Cc1ccccc1 29123791 GMLYGGDDNJSNER-JWGURIENSA-N 362.432 5.322 0 1 FKAF COc1cc(C(=O)O)ccc1-c1ccc(-c2cc3cccc(Cl)c3o2)[nH]1 29464527 MIDUGVDGSDKJEX-UHFFFAOYSA-N 367.788 5.455 0 1 FKAF CC(=C/C(=O)O)/C=C/[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C 36757755 BOOOLEGQBVUTKC-VYIROHAESA-N 352.518 5.900 0 1 FKAF Cc1ccsc1-c1cc(-c2ccco2)cc(-c2ccc(Cl)cc2)n1 45338518 WXRLVLFJEYVHKL-UHFFFAOYSA-N 351.858 6.699 0 1 FKAF C[n+]1cccc2c1c1ccc(Cl)cc1n2CCCCCC1CCCCC1 71294511 ZDGJGJVAIQGSHI-UHFFFAOYSA-N 369.960 6.413 0 1 FKAF Cc1cccc(Cn2c([C@@H](N)C(C)C)nc3cc(C(F)(F)F)ccc32)c1 72142722 ZXZRCGDNSHWBDJ-SFHVURJKSA-N 361.411 5.068 0 1 FKAF COc1cccc(-c2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3c2)c1 82083428 PWQQZQIIFGVYNF-UHFFFAOYSA-N 369.346 5.091 0 1 FKAF Cc1cnc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc(F)cc2)o1 82164165 XDGWVALTPSGQCU-ACJLOTCBSA-N 366.440 5.237 0 1 FKAF CCCCOc1cc(NC(=O)N[C@H](CC)c2ccccc2)ccc1OC 95561693 LGYACOSDRBRDFJ-GOSISDBHSA-N 356.466 5.147 0 1 FKAF c1ccc(C2=Nc3ccccc3[C@]23[C@@H](c2ccccc2)N3c2ccccc2)cc1 103276236 VCYCTGASUJLJTF-PNDVLSOFSA-N 372.471 6.278 0 1 FKAF Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccccc2)n1 141940008 ZYXHTGVYFQWAJX-INIZCTEOSA-N 369.472 5.026 0 1 FKAF CSCC(C)(C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586969571 VHYOWVSWVHGEMW-UHFFFAOYSA-N 356.335 5.241 0 1 FKAF Cc1c(-c2ccc(F)cc2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987291 CLEJTXKOPIZXSN-UHFFFAOYSA-N 373.358 5.405 0 1 FKAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(Cl)c(C)c2[nH]1 587013944 DEVNNSKQNODTDM-UHFFFAOYSA-N 374.296 6.277 0 1 FKAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Cl)ccc4[nH]3)c21 587031117 OPMCPEOQTFHEOK-LBPRGKRZSA-N 367.905 6.175 0 1 FKAF CCCOc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587106755 NWJYTTYZPWLZNU-UHFFFAOYSA-N 365.432 5.902 0 1 FKAF COc1ccc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)cc1 587107161 PHOSRPSWZGBFQT-UHFFFAOYSA-N 351.405 5.430 0 1 FKAF Fc1ccc(/C=C(\c2nc3cc4c(cc3[nH]2)OCO4)c2cccs2)cc1 587163908 NNZWEECXMZXCJD-ZSOIEALJSA-N 364.401 5.081 0 1 FKAF COCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C(C)C 587362090 DJIMOQHVIOUGDB-UHFFFAOYSA-N 361.441 5.926 0 1 FKAF COc1cccc(-c2cc(C[C@H]3CCOC3)nc3c2oc2ccccc23)c1 587367630 WRKVSZCECLSQGB-OAHLLOKOSA-N 359.425 5.236 0 1 FKAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3ccccc3s1)CC2=O 587494444 KBOGWGCRHAQSLU-OAQYLSRUSA-N 352.455 5.440 0 1 FKAF CCCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520450 BULMOQWLCYDXSB-QHCPKHFHSA-N 350.458 5.235 0 1 FKAF CC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(Cl)c(F)cc12 587630078 QLCCTOJPIXXLFW-UHFFFAOYSA-N 355.718 5.849 0 1 FKAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3ccccc3)c2c1 587650235 QEHJSFYORUPKHP-UHFFFAOYSA-N 365.429 5.045 0 1 FKAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccc(Cl)cc2)N1 587695859 JQFLRPKDFOXXFK-BMLIUANNSA-N 368.677 5.060 0 1 FKAF CC(C)=CC[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587816054 STNKGRXFJRIMCJ-XIKOKIGWSA-N 352.291 5.084 0 1 FKAF CCCCCCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862514 QDTOBRXUEKZAQQ-UHFFFAOYSA-N 354.372 5.188 0 1 FKAF C(=C/c1ccccc1Oc1ccccc1)\c1nc2ccc3ncccc3c2[nH]1 587949633 JIOVZWAQXRDCDP-NTCAYCPXSA-N 363.420 6.074 0 1 FKAF C/C(=C/c1nc2cc(Br)cc(C(=O)O)c2[nH]1)C1CCCCC1 587969159 VOPIWEJSALFLCH-YFHOEESVSA-N 363.255 5.007 0 1 FKAF Fc1cc2c(Cc3c[nH]c4cc(Cl)c(F)cc34)c[nH]c2cc1Cl 1772577136 ULHDGVWUXSAKRH-UHFFFAOYSA-N 351.183 5.825 0 1 FKAF COc1ccc(-c2cc3oc(=O)cc(C)c3cc2-c2ccc(OC)cc2)cc1 1772608623 MXKVUYFTKIHILE-UHFFFAOYSA-N 372.420 5.453 0 1 FKAF Nc1c(C(=O)C2CC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 1029502 STWRWONGYZOBDH-UHFFFAOYSA-N 362.376 5.157 0 3 FKAF CCCCc1c(-c2ccccc2OC)ncn1CCc1ccc(Cl)cc1 95565637 ZWCHILSKDYZINO-UHFFFAOYSA-N 368.908 5.797 0 3 FKAF